Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:41:29 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Hg.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 26 10 3 604 151 27 Max 27 11 4 608 168 30 Sum 947 393 123 21805 5811 1031 bravais-lattice index = 14 lattice parameter (alat) = 5.9684 a.u. unit-cell volume = 152.1313 (a.u.)^3 number of atoms/cell = 1 number of atomic types = 1 number of electrons = 12.00 number of Kohn-Sham states= 20 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.968414 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.200012 celldm(5)= -0.200012 celldm(6)= -0.599975 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.599975 0.800018 0.000000 ) a(3) = ( -0.200012 -0.400009 0.894420 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.749952 0.559021 ) b(2) = ( 0.000000 1.249971 0.559021 ) b(3) = ( 0.000000 0.000000 1.118043 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 520 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 2) = ( 0.0000000 0.0000000 0.0099825), wk = 0.0019231 k( 3) = ( 0.0000000 0.0000000 0.0199650), wk = 0.0019231 k( 4) = ( 0.0000000 0.0000000 0.0299476), wk = 0.0019231 k( 5) = ( 0.0000000 0.0000000 0.0399301), wk = 0.0019231 k( 6) = ( 0.0000000 0.0000000 0.0499126), wk = 0.0019231 k( 7) = ( 0.0000000 0.0000000 0.0598951), wk = 0.0019231 k( 8) = ( 0.0000000 0.0000000 0.0698777), wk = 0.0019231 k( 9) = ( 0.0000000 0.0000000 0.0798602), wk = 0.0019231 k( 10) = ( 0.0000000 0.0000000 0.0898427), wk = 0.0019231 k( 11) = ( 0.0000000 0.0000000 0.0998252), wk = 0.0019231 k( 12) = ( 0.0000000 0.0000000 0.1098078), wk = 0.0019231 k( 13) = ( 0.0000000 0.0000000 0.1197903), wk = 0.0019231 k( 14) = ( 0.0000000 0.0000000 0.1297728), wk = 0.0019231 k( 15) = ( 0.0000000 0.0000000 0.1397553), wk = 0.0019231 k( 16) = ( 0.0000000 0.0000000 0.1497378), wk = 0.0019231 k( 17) = ( 0.0000000 0.0000000 0.1597204), wk = 0.0019231 k( 18) = ( 0.0000000 0.0000000 0.1697029), wk = 0.0019231 k( 19) = ( 0.0000000 0.0000000 0.1796854), wk = 0.0019231 k( 20) = ( 0.0000000 0.0000000 0.1896679), wk = 0.0019231 k( 21) = ( 0.0000000 0.0000000 0.1996505), wk = 0.0019231 k( 22) = ( 0.0000000 0.0000000 0.2096330), wk = 0.0019231 k( 23) = ( 0.0000000 0.0000000 0.2196155), wk = 0.0019231 k( 24) = ( 0.0000000 0.0000000 0.2295980), wk = 0.0019231 k( 25) = ( 0.0000000 0.0000000 0.2395805), wk = 0.0019231 k( 26) = ( 0.0000000 0.0000000 0.2495631), wk = 0.0019231 k( 27) = ( 0.0000000 0.0000000 0.2595456), wk = 0.0019231 k( 28) = ( 0.0000000 0.0000000 0.2695281), wk = 0.0019231 k( 29) = ( 0.0000000 0.0000000 0.2795106), wk = 0.0019231 k( 30) = ( 0.0000000 0.0000000 0.2894932), wk = 0.0019231 k( 31) = ( 0.0000000 0.0000000 0.2994757), wk = 0.0019231 k( 32) = ( 0.0000000 0.0000000 0.3094582), wk = 0.0019231 k( 33) = ( 0.0000000 0.0000000 0.3194407), wk = 0.0019231 k( 34) = ( 0.0000000 0.0000000 0.3294233), wk = 0.0019231 k( 35) = ( 0.0000000 0.0000000 0.3394058), wk = 0.0019231 k( 36) = ( 0.0000000 0.0000000 0.3493883), wk = 0.0019231 k( 37) = ( 0.0000000 0.0000000 0.3593708), wk = 0.0019231 k( 38) = ( 0.0000000 0.0000000 0.3693533), wk = 0.0019231 k( 39) = ( 0.0000000 0.0000000 0.3793359), wk = 0.0019231 k( 40) = ( 0.0000000 0.0000000 0.3893184), wk = 0.0019231 k( 41) = ( 0.0000000 0.0000000 0.3993009), wk = 0.0019231 k( 42) = ( 0.0000000 0.0000000 0.4092834), wk = 0.0019231 k( 43) = ( 0.0000000 0.0000000 0.4192660), wk = 0.0019231 k( 44) = ( 0.0000000 0.0000000 0.4292485), wk = 0.0019231 k( 45) = ( 0.0000000 0.0000000 0.4392310), wk = 0.0019231 k( 46) = ( 0.0000000 0.0000000 0.4492135), wk = 0.0019231 k( 47) = ( 0.0000000 0.0000000 0.4591961), wk = 0.0019231 k( 48) = ( 0.0000000 0.0000000 0.4691786), wk = 0.0019231 k( 49) = ( 0.0000000 0.0000000 0.4791611), wk = 0.0019231 k( 50) = ( 0.0000000 0.0000000 0.4891436), wk = 0.0019231 k( 51) = ( 0.0000000 0.0000000 0.4991261), wk = 0.0019231 k( 52) = ( 0.0000000 0.0000000 0.5091087), wk = 0.0019231 k( 53) = ( 0.0000000 0.0000000 0.5190912), wk = 0.0019231 k( 54) = ( 0.0000000 0.0000000 0.5290737), wk = 0.0019231 k( 55) = ( 0.0000000 0.0000000 0.5390562), wk = 0.0019231 k( 56) = ( 0.0000000 0.0000000 0.5490388), wk = 0.0019231 k( 57) = ( 0.0000000 0.0000000 0.5590213), wk = 0.0019231 k( 58) = ( 0.0000000 0.0000000 0.5590213), wk = 0.0019231 k( 59) = ( -0.0089286 0.0044645 0.5590213), wk = 0.0019231 k( 60) = ( -0.0178571 0.0089289 0.5590213), wk = 0.0019231 k( 61) = ( -0.0267857 0.0133934 0.5590213), wk = 0.0019231 k( 62) = ( -0.0357143 0.0178578 0.5590213), wk = 0.0019231 k( 63) = ( -0.0446429 0.0223223 0.5590213), wk = 0.0019231 k( 64) = ( -0.0535714 0.0267867 0.5590213), wk = 0.0019231 k( 65) = ( -0.0625000 0.0312512 0.5590213), wk = 0.0019231 k( 66) = ( -0.0714286 0.0357157 0.5590213), wk = 0.0019231 k( 67) = ( -0.0803571 0.0401801 0.5590213), wk = 0.0019231 k( 68) = ( -0.0892857 0.0446446 0.5590213), wk = 0.0019231 k( 69) = ( -0.0982143 0.0491090 0.5590213), wk = 0.0019231 k( 70) = ( -0.1071429 0.0535735 0.5590213), wk = 0.0019231 k( 71) = ( -0.1160714 0.0580379 0.5590213), wk = 0.0019231 k( 72) = ( -0.1250000 0.0625024 0.5590213), wk = 0.0019231 k( 73) = ( -0.1339286 0.0669669 0.5590213), wk = 0.0019231 k( 74) = ( -0.1428571 0.0714313 0.5590213), wk = 0.0019231 k( 75) = ( -0.1517857 0.0758958 0.5590213), wk = 0.0019231 k( 76) = ( -0.1607143 0.0803602 0.5590213), wk = 0.0019231 k( 77) = ( -0.1696429 0.0848247 0.5590213), wk = 0.0019231 k( 78) = ( -0.1785714 0.0892891 0.5590213), wk = 0.0019231 k( 79) = ( -0.1875000 0.0937536 0.5590213), wk = 0.0019231 k( 80) = ( -0.1964286 0.0982181 0.5590213), wk = 0.0019231 k( 81) = ( -0.2053571 0.1026825 0.5590213), wk = 0.0019231 k( 82) = ( -0.2142857 0.1071470 0.5590213), wk = 0.0019231 k( 83) = ( -0.2232143 0.1116114 0.5590213), wk = 0.0019231 k( 84) = ( -0.2321429 0.1160759 0.5590213), wk = 0.0019231 k( 85) = ( -0.2410714 0.1205403 0.5590213), wk = 0.0019231 k( 86) = ( -0.2500000 0.1250048 0.5590213), wk = 0.0019231 k( 87) = ( -0.2589286 0.1294693 0.5590213), wk = 0.0019231 k( 88) = ( -0.2678571 0.1339337 0.5590213), wk = 0.0019231 k( 89) = ( -0.2767857 0.1383982 0.5590213), wk = 0.0019231 k( 90) = ( -0.2857143 0.1428626 0.5590213), wk = 0.0019231 k( 91) = ( -0.2946429 0.1473271 0.5590213), wk = 0.0019231 k( 92) = ( -0.3035714 0.1517915 0.5590213), wk = 0.0019231 k( 93) = ( -0.3125000 0.1562560 0.5590213), wk = 0.0019231 k( 94) = ( -0.3214286 0.1607205 0.5590213), wk = 0.0019231 k( 95) = ( -0.3303571 0.1651849 0.5590213), wk = 0.0019231 k( 96) = ( -0.3392857 0.1696494 0.5590213), wk = 0.0019231 k( 97) = ( -0.3482143 0.1741138 0.5590213), wk = 0.0019231 k( 98) = ( -0.3571429 0.1785783 0.5590213), wk = 0.0019231 k( 99) = ( -0.3660714 0.1830427 0.5590213), wk = 0.0019231 k( 100) = ( -0.3750000 0.1875072 0.5590213), wk = 0.0019231 k( 101) = ( -0.3839286 0.1919717 0.5590213), wk = 0.0019231 k( 102) = ( -0.3928571 0.1964361 0.5590213), wk = 0.0019231 k( 103) = ( -0.4017857 0.2009006 0.5590213), wk = 0.0019231 k( 104) = ( -0.4107143 0.2053650 0.5590213), wk = 0.0019231 k( 105) = ( -0.4196429 0.2098295 0.5590213), wk = 0.0019231 k( 106) = ( -0.4285714 0.2142939 0.5590213), wk = 0.0019231 k( 107) = ( -0.4375000 0.2187584 0.5590213), wk = 0.0019231 k( 108) = ( -0.4464286 0.2232229 0.5590213), wk = 0.0019231 k( 109) = ( -0.4553571 0.2276873 0.5590213), wk = 0.0019231 k( 110) = ( -0.4642857 0.2321518 0.5590213), wk = 0.0019231 k( 111) = ( -0.4732143 0.2366162 0.5590213), wk = 0.0019231 k( 112) = ( -0.4821429 0.2410807 0.5590213), wk = 0.0019231 k( 113) = ( -0.4910714 0.2455451 0.5590213), wk = 0.0019231 k( 114) = ( -0.5000000 0.2500096 0.5590213), wk = 0.0019231 k( 115) = ( -0.5000000 0.2500096 0.5590213), wk = 0.0019231 k( 116) = ( -0.4936709 0.2468449 0.5519451), wk = 0.0019231 k( 117) = ( -0.4873418 0.2436802 0.5448688), wk = 0.0019231 k( 118) = ( -0.4810127 0.2405156 0.5377926), wk = 0.0019231 k( 119) = ( -0.4746835 0.2373509 0.5307164), wk = 0.0019231 k( 120) = ( -0.4683544 0.2341862 0.5236402), wk = 0.0019231 k( 121) = ( -0.4620253 0.2310215 0.5165640), wk = 0.0019231 k( 122) = ( -0.4556962 0.2278568 0.5094878), wk = 0.0019231 k( 123) = ( -0.4493671 0.2246922 0.5024115), wk = 0.0019231 k( 124) = ( -0.4430380 0.2215275 0.4953353), wk = 0.0019231 k( 125) = ( -0.4367089 0.2183628 0.4882591), wk = 0.0019231 k( 126) = ( -0.4303798 0.2151981 0.4811829), wk = 0.0019231 k( 127) = ( -0.4240506 0.2120335 0.4741067), wk = 0.0019231 k( 128) = ( -0.4177215 0.2088688 0.4670304), wk = 0.0019231 k( 129) = ( -0.4113924 0.2057041 0.4599542), wk = 0.0019231 k( 130) = ( -0.4050633 0.2025394 0.4528780), wk = 0.0019231 k( 131) = ( -0.3987342 0.1993747 0.4458018), wk = 0.0019231 k( 132) = ( -0.3924051 0.1962101 0.4387256), wk = 0.0019231 k( 133) = ( -0.3860760 0.1930454 0.4316493), wk = 0.0019231 k( 134) = ( -0.3797468 0.1898807 0.4245731), wk = 0.0019231 k( 135) = ( -0.3734177 0.1867160 0.4174969), wk = 0.0019231 k( 136) = ( -0.3670886 0.1835513 0.4104207), wk = 0.0019231 k( 137) = ( -0.3607595 0.1803867 0.4033445), wk = 0.0019231 k( 138) = ( -0.3544304 0.1772220 0.3962683), wk = 0.0019231 k( 139) = ( -0.3481013 0.1740573 0.3891920), wk = 0.0019231 k( 140) = ( -0.3417721 0.1708926 0.3821158), wk = 0.0019231 k( 141) = ( -0.3354430 0.1677280 0.3750396), wk = 0.0019231 k( 142) = ( -0.3291139 0.1645633 0.3679634), wk = 0.0019231 k( 143) = ( -0.3227848 0.1613986 0.3608872), wk = 0.0019231 k( 144) = ( -0.3164557 0.1582339 0.3538109), wk = 0.0019231 k( 145) = ( -0.3101266 0.1550692 0.3467347), wk = 0.0019231 k( 146) = ( -0.3037975 0.1519046 0.3396585), wk = 0.0019231 k( 147) = ( -0.2974683 0.1487399 0.3325823), wk = 0.0019231 k( 148) = ( -0.2911392 0.1455752 0.3255061), wk = 0.0019231 k( 149) = ( -0.2848101 0.1424105 0.3184298), wk = 0.0019231 k( 150) = ( -0.2784810 0.1392458 0.3113536), wk = 0.0019231 k( 151) = ( -0.2721519 0.1360812 0.3042774), wk = 0.0019231 k( 152) = ( -0.2658228 0.1329165 0.2972012), wk = 0.0019231 k( 153) = ( -0.2594937 0.1297518 0.2901250), wk = 0.0019231 k( 154) = ( -0.2531646 0.1265871 0.2830488), wk = 0.0019231 k( 155) = ( -0.2468354 0.1234225 0.2759725), wk = 0.0019231 k( 156) = ( -0.2405063 0.1202578 0.2688963), wk = 0.0019231 k( 157) = ( -0.2341772 0.1170931 0.2618201), wk = 0.0019231 k( 158) = ( -0.2278481 0.1139284 0.2547439), wk = 0.0019231 k( 159) = ( -0.2215190 0.1107637 0.2476677), wk = 0.0019231 k( 160) = ( -0.2151899 0.1075991 0.2405914), wk = 0.0019231 k( 161) = ( -0.2088608 0.1044344 0.2335152), wk = 0.0019231 k( 162) = ( -0.2025317 0.1012697 0.2264390), wk = 0.0019231 k( 163) = ( -0.1962025 0.0981050 0.2193628), wk = 0.0019231 k( 164) = ( -0.1898734 0.0949404 0.2122866), wk = 0.0019231 k( 165) = ( -0.1835443 0.0917757 0.2052103), wk = 0.0019231 k( 166) = ( -0.1772152 0.0886110 0.1981341), wk = 0.0019231 k( 167) = ( -0.1708861 0.0854463 0.1910579), wk = 0.0019231 k( 168) = ( -0.1645570 0.0822816 0.1839817), wk = 0.0019231 k( 169) = ( -0.1582279 0.0791170 0.1769055), wk = 0.0019231 k( 170) = ( -0.1518987 0.0759523 0.1698292), wk = 0.0019231 k( 171) = ( -0.1455696 0.0727876 0.1627530), wk = 0.0019231 k( 172) = ( -0.1392405 0.0696229 0.1556768), wk = 0.0019231 k( 173) = ( -0.1329114 0.0664582 0.1486006), wk = 0.0019231 k( 174) = ( -0.1265823 0.0632936 0.1415244), wk = 0.0019231 k( 175) = ( -0.1202532 0.0601289 0.1344482), wk = 0.0019231 k( 176) = ( -0.1139240 0.0569642 0.1273719), wk = 0.0019231 k( 177) = ( -0.1075949 0.0537995 0.1202957), wk = 0.0019231 k( 178) = ( -0.1012658 0.0506349 0.1132195), wk = 0.0019231 k( 179) = ( -0.0949367 0.0474702 0.1061433), wk = 0.0019231 k( 180) = ( -0.0886076 0.0443055 0.0990671), wk = 0.0019231 k( 181) = ( -0.0822785 0.0411408 0.0919908), wk = 0.0019231 k( 182) = ( -0.0759494 0.0379761 0.0849146), wk = 0.0019231 k( 183) = ( -0.0696202 0.0348115 0.0778384), wk = 0.0019231 k( 184) = ( -0.0632911 0.0316468 0.0707622), wk = 0.0019231 k( 185) = ( -0.0569620 0.0284821 0.0636860), wk = 0.0019231 k( 186) = ( -0.0506329 0.0253174 0.0566097), wk = 0.0019231 k( 187) = ( -0.0443038 0.0221528 0.0495335), wk = 0.0019231 k( 188) = ( -0.0379747 0.0189881 0.0424573), wk = 0.0019231 k( 189) = ( -0.0316456 0.0158234 0.0353811), wk = 0.0019231 k( 190) = ( -0.0253165 0.0126587 0.0283049), wk = 0.0019231 k( 191) = ( -0.0189873 0.0094940 0.0212287), wk = 0.0019231 k( 192) = ( -0.0126582 0.0063294 0.0141524), wk = 0.0019231 k( 193) = ( -0.0063291 0.0031647 0.0070762), wk = 0.0019231 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 196) = ( 0.0044644 0.0089285 -0.0000000), wk = 0.0019231 k( 197) = ( 0.0089288 0.0178569 -0.0000000), wk = 0.0019231 k( 198) = ( 0.0133932 0.0267854 -0.0000000), wk = 0.0019231 k( 199) = ( 0.0178576 0.0357138 -0.0000000), wk = 0.0019231 k( 200) = ( 0.0223220 0.0446423 -0.0000000), wk = 0.0019231 k( 201) = ( 0.0267864 0.0535707 -0.0000000), wk = 0.0019231 k( 202) = ( 0.0312508 0.0624992 -0.0000000), wk = 0.0019231 k( 203) = ( 0.0357152 0.0714277 -0.0000000), wk = 0.0019231 k( 204) = ( 0.0401796 0.0803561 -0.0000000), wk = 0.0019231 k( 205) = ( 0.0446440 0.0892846 -0.0000000), wk = 0.0019231 k( 206) = ( 0.0491084 0.0982130 -0.0000000), wk = 0.0019231 k( 207) = ( 0.0535728 0.1071415 -0.0000000), wk = 0.0019231 k( 208) = ( 0.0580372 0.1160699 -0.0000000), wk = 0.0019231 k( 209) = ( 0.0625016 0.1249984 -0.0000000), wk = 0.0019231 k( 210) = ( 0.0669660 0.1339269 -0.0000000), wk = 0.0019231 k( 211) = ( 0.0714304 0.1428553 -0.0000000), wk = 0.0019231 k( 212) = ( 0.0758948 0.1517838 -0.0000000), wk = 0.0019231 k( 213) = ( 0.0803592 0.1607122 -0.0000000), wk = 0.0019231 k( 214) = ( 0.0848236 0.1696407 -0.0000000), wk = 0.0019231 k( 215) = ( 0.0892880 0.1785691 -0.0000000), wk = 0.0019231 k( 216) = ( 0.0937524 0.1874976 -0.0000000), wk = 0.0019231 k( 217) = ( 0.0982168 0.1964261 -0.0000000), wk = 0.0019231 k( 218) = ( 0.1026812 0.2053545 -0.0000000), wk = 0.0019231 k( 219) = ( 0.1071456 0.2142830 -0.0000000), wk = 0.0019231 k( 220) = ( 0.1116100 0.2232114 -0.0000000), wk = 0.0019231 k( 221) = ( 0.1160744 0.2321399 -0.0000000), wk = 0.0019231 k( 222) = ( 0.1205388 0.2410683 -0.0000000), wk = 0.0019231 k( 223) = ( 0.1250032 0.2499968 -0.0000000), wk = 0.0019231 k( 224) = ( 0.1294676 0.2589253 -0.0000000), wk = 0.0019231 k( 225) = ( 0.1339320 0.2678537 -0.0000000), wk = 0.0019231 k( 226) = ( 0.1383964 0.2767822 -0.0000000), wk = 0.0019231 k( 227) = ( 0.1428608 0.2857106 -0.0000000), wk = 0.0019231 k( 228) = ( 0.1473252 0.2946391 -0.0000000), wk = 0.0019231 k( 229) = ( 0.1517896 0.3035676 -0.0000000), wk = 0.0019231 k( 230) = ( 0.1562540 0.3124960 -0.0000000), wk = 0.0019231 k( 231) = ( 0.1607184 0.3214245 -0.0000000), wk = 0.0019231 k( 232) = ( 0.1651828 0.3303529 -0.0000000), wk = 0.0019231 k( 233) = ( 0.1696472 0.3392814 -0.0000000), wk = 0.0019231 k( 234) = ( 0.1741116 0.3482098 -0.0000000), wk = 0.0019231 k( 235) = ( 0.1785760 0.3571383 -0.0000000), wk = 0.0019231 k( 236) = ( 0.1830404 0.3660668 -0.0000000), wk = 0.0019231 k( 237) = ( 0.1875048 0.3749952 -0.0000000), wk = 0.0019231 k( 238) = ( 0.1919692 0.3839237 -0.0000000), wk = 0.0019231 k( 239) = ( 0.1964336 0.3928521 -0.0000000), wk = 0.0019231 k( 240) = ( 0.2008980 0.4017806 -0.0000000), wk = 0.0019231 k( 241) = ( 0.2053624 0.4107090 -0.0000000), wk = 0.0019231 k( 242) = ( 0.2098268 0.4196375 -0.0000000), wk = 0.0019231 k( 243) = ( 0.2142912 0.4285660 -0.0000000), wk = 0.0019231 k( 244) = ( 0.2187556 0.4374944 -0.0000000), wk = 0.0019231 k( 245) = ( 0.2232200 0.4464229 -0.0000000), wk = 0.0019231 k( 246) = ( 0.2276844 0.4553513 -0.0000000), wk = 0.0019231 k( 247) = ( 0.2321488 0.4642798 -0.0000000), wk = 0.0019231 k( 248) = ( 0.2366132 0.4732082 -0.0000000), wk = 0.0019231 k( 249) = ( 0.2410776 0.4821367 -0.0000000), wk = 0.0019231 k( 250) = ( 0.2455420 0.4910652 -0.0000000), wk = 0.0019231 k( 251) = ( 0.2500064 0.4999936 -0.0000000), wk = 0.0019231 k( 252) = ( 0.2544708 0.5089221 -0.0000000), wk = 0.0019231 k( 253) = ( 0.2589352 0.5178505 -0.0000000), wk = 0.0019231 k( 254) = ( 0.2633996 0.5267790 -0.0000000), wk = 0.0019231 k( 255) = ( 0.2678640 0.5357074 -0.0000000), wk = 0.0019231 k( 256) = ( 0.2723284 0.5446359 -0.0000000), wk = 0.0019231 k( 257) = ( 0.2767928 0.5535644 -0.0000000), wk = 0.0019231 k( 258) = ( 0.2812572 0.5624928 -0.0000000), wk = 0.0019231 k( 259) = ( 0.2857216 0.5714213 -0.0000000), wk = 0.0019231 k( 260) = ( 0.2901860 0.5803497 -0.0000000), wk = 0.0019231 k( 261) = ( 0.2946504 0.5892782 -0.0000000), wk = 0.0019231 k( 262) = ( 0.2991148 0.5982066 -0.0000000), wk = 0.0019231 k( 263) = ( 0.3035792 0.6071351 -0.0000000), wk = 0.0019231 k( 264) = ( 0.3080436 0.6160636 -0.0000000), wk = 0.0019231 k( 265) = ( 0.3125080 0.6249920 -0.0000000), wk = 0.0019231 k( 266) = ( 0.3169724 0.6339205 -0.0000000), wk = 0.0019231 k( 267) = ( 0.3214368 0.6428489 -0.0000000), wk = 0.0019231 k( 268) = ( 0.3259012 0.6517774 -0.0000000), wk = 0.0019231 k( 269) = ( 0.3303656 0.6607058 -0.0000000), wk = 0.0019231 k( 270) = ( 0.3348300 0.6696343 -0.0000000), wk = 0.0019231 k( 271) = ( 0.3392944 0.6785627 -0.0000000), wk = 0.0019231 k( 272) = ( 0.3437588 0.6874912 -0.0000000), wk = 0.0019231 k( 273) = ( 0.3482232 0.6964197 -0.0000000), wk = 0.0019231 k( 274) = ( 0.3526876 0.7053481 -0.0000000), wk = 0.0019231 k( 275) = ( 0.3571520 0.7142766 -0.0000000), wk = 0.0019231 k( 276) = ( 0.3616164 0.7232050 -0.0000000), wk = 0.0019231 k( 277) = ( 0.3660808 0.7321335 -0.0000000), wk = 0.0019231 k( 278) = ( 0.3705452 0.7410619 -0.0000000), wk = 0.0019231 k( 279) = ( 0.3750096 0.7499904 -0.0000000), wk = 0.0019231 k( 280) = ( 0.3750096 0.7499904 -0.0000000), wk = 0.0019231 k( 281) = ( 0.3730253 0.7460220 0.0088734), wk = 0.0019231 k( 282) = ( 0.3710410 0.7420536 0.0177467), wk = 0.0019231 k( 283) = ( 0.3690568 0.7380852 0.0266201), wk = 0.0019231 k( 284) = ( 0.3670725 0.7341168 0.0354934), wk = 0.0019231 k( 285) = ( 0.3650882 0.7301484 0.0443668), wk = 0.0019231 k( 286) = ( 0.3631039 0.7261800 0.0532401), wk = 0.0019231 k( 287) = ( 0.3611196 0.7222116 0.0621135), wk = 0.0019231 k( 288) = ( 0.3591354 0.7182432 0.0709868), wk = 0.0019231 k( 289) = ( 0.3571511 0.7142747 0.0798602), wk = 0.0019231 k( 290) = ( 0.3551668 0.7103063 0.0887335), wk = 0.0019231 k( 291) = ( 0.3531825 0.7063379 0.0976069), wk = 0.0019231 k( 292) = ( 0.3511982 0.7023695 0.1064802), wk = 0.0019231 k( 293) = ( 0.3492140 0.6984011 0.1153536), wk = 0.0019231 k( 294) = ( 0.3472297 0.6944327 0.1242270), wk = 0.0019231 k( 295) = ( 0.3452454 0.6904643 0.1331003), wk = 0.0019231 k( 296) = ( 0.3432611 0.6864959 0.1419737), wk = 0.0019231 k( 297) = ( 0.3412769 0.6825275 0.1508470), wk = 0.0019231 k( 298) = ( 0.3392926 0.6785591 0.1597204), wk = 0.0019231 k( 299) = ( 0.3373083 0.6745907 0.1685937), wk = 0.0019231 k( 300) = ( 0.3353240 0.6706223 0.1774671), wk = 0.0019231 k( 301) = ( 0.3333397 0.6666539 0.1863404), wk = 0.0019231 k( 302) = ( 0.3313554 0.6626855 0.1952138), wk = 0.0019231 k( 303) = ( 0.3293712 0.6587171 0.2040871), wk = 0.0019231 k( 304) = ( 0.3273869 0.6547487 0.2129605), wk = 0.0019231 k( 305) = ( 0.3254026 0.6507802 0.2218338), wk = 0.0019231 k( 306) = ( 0.3234183 0.6468118 0.2307072), wk = 0.0019231 k( 307) = ( 0.3214341 0.6428434 0.2395805), wk = 0.0019231 k( 308) = ( 0.3194498 0.6388750 0.2484539), wk = 0.0019231 k( 309) = ( 0.3174655 0.6349066 0.2573273), wk = 0.0019231 k( 310) = ( 0.3154812 0.6309382 0.2662006), wk = 0.0019231 k( 311) = ( 0.3134969 0.6269698 0.2750740), wk = 0.0019231 k( 312) = ( 0.3115127 0.6230014 0.2839473), wk = 0.0019231 k( 313) = ( 0.3095284 0.6190330 0.2928207), wk = 0.0019231 k( 314) = ( 0.3075441 0.6150646 0.3016940), wk = 0.0019231 k( 315) = ( 0.3055598 0.6110962 0.3105674), wk = 0.0019231 k( 316) = ( 0.3035755 0.6071278 0.3194407), wk = 0.0019231 k( 317) = ( 0.3015913 0.6031594 0.3283141), wk = 0.0019231 k( 318) = ( 0.2996070 0.5991910 0.3371874), wk = 0.0019231 k( 319) = ( 0.2976227 0.5952226 0.3460608), wk = 0.0019231 k( 320) = ( 0.2956384 0.5912541 0.3549341), wk = 0.0019231 k( 321) = ( 0.2936541 0.5872857 0.3638075), wk = 0.0019231 k( 322) = ( 0.2916699 0.5833173 0.3726809), wk = 0.0019231 k( 323) = ( 0.2896856 0.5793489 0.3815542), wk = 0.0019231 k( 324) = ( 0.2877013 0.5753805 0.3904276), wk = 0.0019231 k( 325) = ( 0.2857170 0.5714121 0.3993009), wk = 0.0019231 k( 326) = ( 0.2837327 0.5674437 0.4081743), wk = 0.0019231 k( 327) = ( 0.2817485 0.5634753 0.4170476), wk = 0.0019231 k( 328) = ( 0.2797642 0.5595069 0.4259210), wk = 0.0019231 k( 329) = ( 0.2777799 0.5555385 0.4347943), wk = 0.0019231 k( 330) = ( 0.2757956 0.5515701 0.4436677), wk = 0.0019231 k( 331) = ( 0.2738114 0.5476017 0.4525410), wk = 0.0019231 k( 332) = ( 0.2718271 0.5436333 0.4614144), wk = 0.0019231 k( 333) = ( 0.2698428 0.5396649 0.4702877), wk = 0.0019231 k( 334) = ( 0.2678585 0.5356965 0.4791611), wk = 0.0019231 k( 335) = ( 0.2658742 0.5317281 0.4880344), wk = 0.0019231 k( 336) = ( 0.2638899 0.5277596 0.4969078), wk = 0.0019231 k( 337) = ( 0.2619057 0.5237913 0.5057812), wk = 0.0019231 k( 338) = ( 0.2599214 0.5198229 0.5146545), wk = 0.0019231 k( 339) = ( 0.2579371 0.5158544 0.5235279), wk = 0.0019231 k( 340) = ( 0.2559528 0.5118860 0.5324012), wk = 0.0019231 k( 341) = ( 0.2539686 0.5079176 0.5412746), wk = 0.0019231 k( 342) = ( 0.2519843 0.5039492 0.5501479), wk = 0.0019231 k( 343) = ( 0.2500000 0.4999808 0.5590213), wk = 0.0019231 k( 344) = ( 0.2500000 0.4999808 0.5590213), wk = 0.0019231 k( 345) = ( 0.2437500 0.5031059 0.5520335), wk = 0.0019231 k( 346) = ( 0.2375000 0.5062311 0.5450458), wk = 0.0019231 k( 347) = ( 0.2312500 0.5093562 0.5380580), wk = 0.0019231 k( 348) = ( 0.2250000 0.5124813 0.5310702), wk = 0.0019231 k( 349) = ( 0.2187500 0.5156064 0.5240825), wk = 0.0019231 k( 350) = ( 0.2125000 0.5187315 0.5170947), wk = 0.0019231 k( 351) = ( 0.2062500 0.5218567 0.5101069), wk = 0.0019231 k( 352) = ( 0.2000000 0.5249818 0.5031192), wk = 0.0019231 k( 353) = ( 0.1937500 0.5281069 0.4961314), wk = 0.0019231 k( 354) = ( 0.1875000 0.5312320 0.4891436), wk = 0.0019231 k( 355) = ( 0.1812500 0.5343571 0.4821559), wk = 0.0019231 k( 356) = ( 0.1750000 0.5374823 0.4751681), wk = 0.0019231 k( 357) = ( 0.1687500 0.5406074 0.4681803), wk = 0.0019231 k( 358) = ( 0.1625000 0.5437325 0.4611926), wk = 0.0019231 k( 359) = ( 0.1562500 0.5468576 0.4542048), wk = 0.0019231 k( 360) = ( 0.1500000 0.5499827 0.4472170), wk = 0.0019231 k( 361) = ( 0.1437500 0.5531079 0.4402293), wk = 0.0019231 k( 362) = ( 0.1375000 0.5562330 0.4332415), wk = 0.0019231 k( 363) = ( 0.1312500 0.5593581 0.4262537), wk = 0.0019231 k( 364) = ( 0.1250000 0.5624832 0.4192660), wk = 0.0019231 k( 365) = ( 0.1187500 0.5656083 0.4122782), wk = 0.0019231 k( 366) = ( 0.1125000 0.5687335 0.4052904), wk = 0.0019231 k( 367) = ( 0.1062500 0.5718586 0.3983027), wk = 0.0019231 k( 368) = ( 0.1000000 0.5749837 0.3913149), wk = 0.0019231 k( 369) = ( 0.0937500 0.5781088 0.3843271), wk = 0.0019231 k( 370) = ( 0.0875000 0.5812339 0.3773394), wk = 0.0019231 k( 371) = ( 0.0812500 0.5843591 0.3703516), wk = 0.0019231 k( 372) = ( 0.0750000 0.5874842 0.3633638), wk = 0.0019231 k( 373) = ( 0.0687500 0.5906093 0.3563761), wk = 0.0019231 k( 374) = ( 0.0625000 0.5937344 0.3493883), wk = 0.0019231 k( 375) = ( 0.0562500 0.5968595 0.3424005), wk = 0.0019231 k( 376) = ( 0.0500000 0.5999847 0.3354128), wk = 0.0019231 k( 377) = ( 0.0437500 0.6031098 0.3284250), wk = 0.0019231 k( 378) = ( 0.0375000 0.6062349 0.3214372), wk = 0.0019231 k( 379) = ( 0.0312500 0.6093600 0.3144495), wk = 0.0019231 k( 380) = ( 0.0250000 0.6124851 0.3074617), wk = 0.0019231 k( 381) = ( 0.0187500 0.6156102 0.3004739), wk = 0.0019231 k( 382) = ( 0.0125000 0.6187354 0.2934862), wk = 0.0019231 k( 383) = ( 0.0062500 0.6218605 0.2864984), wk = 0.0019231 k( 384) = ( 0.0000000 0.6249856 0.2795106), wk = 0.0019231 k( 385) = ( 0.0000000 0.6249856 0.2795106), wk = 0.0019231 k( 386) = ( -0.0076533 0.6224345 0.2852149), wk = 0.0019231 k( 387) = ( -0.0153065 0.6198834 0.2909192), wk = 0.0019231 k( 388) = ( -0.0229598 0.6173323 0.2966235), wk = 0.0019231 k( 389) = ( -0.0306130 0.6147811 0.3023278), wk = 0.0019231 k( 390) = ( -0.0382663 0.6122300 0.3080321), wk = 0.0019231 k( 391) = ( -0.0459195 0.6096789 0.3137364), wk = 0.0019231 k( 392) = ( -0.0535728 0.6071278 0.3194407), wk = 0.0019231 k( 393) = ( -0.0612261 0.6045767 0.3251450), wk = 0.0019231 k( 394) = ( -0.0688793 0.6020255 0.3308493), wk = 0.0019231 k( 395) = ( -0.0765326 0.5994744 0.3365536), wk = 0.0019231 k( 396) = ( -0.0841858 0.5969233 0.3422579), wk = 0.0019231 k( 397) = ( -0.0918391 0.5943722 0.3479622), wk = 0.0019231 k( 398) = ( -0.0994923 0.5918211 0.3536665), wk = 0.0019231 k( 399) = ( -0.1071456 0.5892699 0.3593708), wk = 0.0019231 k( 400) = ( -0.1147989 0.5867188 0.3650751), wk = 0.0019231 k( 401) = ( -0.1224521 0.5841677 0.3707794), wk = 0.0019231 k( 402) = ( -0.1301054 0.5816166 0.3764837), wk = 0.0019231 k( 403) = ( -0.1377586 0.5790655 0.3821880), wk = 0.0019231 k( 404) = ( -0.1454119 0.5765144 0.3878923), wk = 0.0019231 k( 405) = ( -0.1530651 0.5739632 0.3935966), wk = 0.0019231 k( 406) = ( -0.1607184 0.5714121 0.3993009), wk = 0.0019231 k( 407) = ( -0.1683717 0.5688610 0.4050052), wk = 0.0019231 k( 408) = ( -0.1760249 0.5663099 0.4107095), wk = 0.0019231 k( 409) = ( -0.1836782 0.5637588 0.4164138), wk = 0.0019231 k( 410) = ( -0.1913314 0.5612077 0.4221181), wk = 0.0019231 k( 411) = ( -0.1989847 0.5586565 0.4278224), wk = 0.0019231 k( 412) = ( -0.2066379 0.5561054 0.4335267), wk = 0.0019231 k( 413) = ( -0.2142912 0.5535543 0.4392310), wk = 0.0019231 k( 414) = ( -0.2219444 0.5510032 0.4449353), wk = 0.0019231 k( 415) = ( -0.2295977 0.5484521 0.4506396), wk = 0.0019231 k( 416) = ( -0.2372510 0.5459009 0.4563439), wk = 0.0019231 k( 417) = ( -0.2449042 0.5433498 0.4620482), wk = 0.0019231 k( 418) = ( -0.2525575 0.5407987 0.4677525), wk = 0.0019231 k( 419) = ( -0.2602107 0.5382476 0.4734568), wk = 0.0019231 k( 420) = ( -0.2678640 0.5356965 0.4791611), wk = 0.0019231 k( 421) = ( -0.2755172 0.5331454 0.4848654), wk = 0.0019231 k( 422) = ( -0.2831705 0.5305942 0.4905697), wk = 0.0019231 k( 423) = ( -0.2908238 0.5280431 0.4962740), wk = 0.0019231 k( 424) = ( -0.2984770 0.5254920 0.5019783), wk = 0.0019231 k( 425) = ( -0.3061303 0.5229409 0.5076826), wk = 0.0019231 k( 426) = ( -0.3137835 0.5203898 0.5133869), wk = 0.0019231 k( 427) = ( -0.3214368 0.5178386 0.5190912), wk = 0.0019231 k( 428) = ( -0.3290901 0.5152875 0.5247955), wk = 0.0019231 k( 429) = ( -0.3367433 0.5127364 0.5304998), wk = 0.0019231 k( 430) = ( -0.3443966 0.5101853 0.5362041), wk = 0.0019231 k( 431) = ( -0.3520498 0.5076342 0.5419084), wk = 0.0019231 k( 432) = ( -0.3597031 0.5050831 0.5476127), wk = 0.0019231 k( 433) = ( -0.3673563 0.5025319 0.5533170), wk = 0.0019231 k( 434) = ( -0.3750096 0.4999808 0.5590213), wk = 0.0019231 k( 435) = ( -0.3750096 0.4999808 0.5590213), wk = 0.0019231 k( 436) = ( -0.3794735 0.4910533 0.5590213), wk = 0.0019231 k( 437) = ( -0.3839375 0.4821257 0.5590213), wk = 0.0019231 k( 438) = ( -0.3884014 0.4731982 0.5590213), wk = 0.0019231 k( 439) = ( -0.3928654 0.4642706 0.5590213), wk = 0.0019231 k( 440) = ( -0.3973293 0.4553431 0.5590213), wk = 0.0019231 k( 441) = ( -0.4017932 0.4464156 0.5590213), wk = 0.0019231 k( 442) = ( -0.4062572 0.4374880 0.5590213), wk = 0.0019231 k( 443) = ( -0.4107211 0.4285605 0.5590213), wk = 0.0019231 k( 444) = ( -0.4151851 0.4196329 0.5590213), wk = 0.0019231 k( 445) = ( -0.4196490 0.4107054 0.5590213), wk = 0.0019231 k( 446) = ( -0.4241130 0.4017778 0.5590213), wk = 0.0019231 k( 447) = ( -0.4285769 0.3928503 0.5590213), wk = 0.0019231 k( 448) = ( -0.4330408 0.3839228 0.5590213), wk = 0.0019231 k( 449) = ( -0.4375048 0.3749952 0.5590213), wk = 0.0019231 k( 450) = ( -0.4419687 0.3660677 0.5590213), wk = 0.0019231 k( 451) = ( -0.4464327 0.3571401 0.5590213), wk = 0.0019231 k( 452) = ( -0.4508966 0.3482126 0.5590213), wk = 0.0019231 k( 453) = ( -0.4553606 0.3392850 0.5590213), wk = 0.0019231 k( 454) = ( -0.4598245 0.3303575 0.5590213), wk = 0.0019231 k( 455) = ( -0.4642885 0.3214299 0.5590213), wk = 0.0019231 k( 456) = ( -0.4687524 0.3125024 0.5590213), wk = 0.0019231 k( 457) = ( -0.4732163 0.3035749 0.5590213), wk = 0.0019231 k( 458) = ( -0.4776803 0.2946473 0.5590213), wk = 0.0019231 k( 459) = ( -0.4821442 0.2857198 0.5590213), wk = 0.0019231 k( 460) = ( -0.4866082 0.2767922 0.5590213), wk = 0.0019231 k( 461) = ( -0.4910721 0.2678647 0.5590213), wk = 0.0019231 k( 462) = ( -0.4955361 0.2589371 0.5590213), wk = 0.0019231 k( 463) = ( -0.5000000 0.2500096 0.5590213), wk = 0.0019231 k( 464) = ( 0.0000000 0.0000000 0.5590213), wk = 0.0019231 k( 465) = ( 0.0044643 0.0089282 0.5590213), wk = 0.0019231 k( 466) = ( 0.0089286 0.0178565 0.5590213), wk = 0.0019231 k( 467) = ( 0.0133929 0.0267847 0.5590213), wk = 0.0019231 k( 468) = ( 0.0178571 0.0357129 0.5590213), wk = 0.0019231 k( 469) = ( 0.0223214 0.0446411 0.5590213), wk = 0.0019231 k( 470) = ( 0.0267857 0.0535694 0.5590213), wk = 0.0019231 k( 471) = ( 0.0312500 0.0624976 0.5590213), wk = 0.0019231 k( 472) = ( 0.0357143 0.0714258 0.5590213), wk = 0.0019231 k( 473) = ( 0.0401786 0.0803541 0.5590213), wk = 0.0019231 k( 474) = ( 0.0446429 0.0892823 0.5590213), wk = 0.0019231 k( 475) = ( 0.0491071 0.0982105 0.5590213), wk = 0.0019231 k( 476) = ( 0.0535714 0.1071387 0.5590213), wk = 0.0019231 k( 477) = ( 0.0580357 0.1160670 0.5590213), wk = 0.0019231 k( 478) = ( 0.0625000 0.1249952 0.5590213), wk = 0.0019231 k( 479) = ( 0.0669643 0.1339234 0.5590213), wk = 0.0019231 k( 480) = ( 0.0714286 0.1428517 0.5590213), wk = 0.0019231 k( 481) = ( 0.0758929 0.1517799 0.5590213), wk = 0.0019231 k( 482) = ( 0.0803571 0.1607081 0.5590213), wk = 0.0019231 k( 483) = ( 0.0848214 0.1696363 0.5590213), wk = 0.0019231 k( 484) = ( 0.0892857 0.1785646 0.5590213), wk = 0.0019231 k( 485) = ( 0.0937500 0.1874928 0.5590213), wk = 0.0019231 k( 486) = ( 0.0982143 0.1964210 0.5590213), wk = 0.0019231 k( 487) = ( 0.1026786 0.2053493 0.5590213), wk = 0.0019231 k( 488) = ( 0.1071429 0.2142775 0.5590213), wk = 0.0019231 k( 489) = ( 0.1116071 0.2232057 0.5590213), wk = 0.0019231 k( 490) = ( 0.1160714 0.2321340 0.5590213), wk = 0.0019231 k( 491) = ( 0.1205357 0.2410622 0.5590213), wk = 0.0019231 k( 492) = ( 0.1250000 0.2499904 0.5590213), wk = 0.0019231 k( 493) = ( 0.1294643 0.2589186 0.5590213), wk = 0.0019231 k( 494) = ( 0.1339286 0.2678469 0.5590213), wk = 0.0019231 k( 495) = ( 0.1383929 0.2767751 0.5590213), wk = 0.0019231 k( 496) = ( 0.1428571 0.2857033 0.5590213), wk = 0.0019231 k( 497) = ( 0.1473214 0.2946316 0.5590213), wk = 0.0019231 k( 498) = ( 0.1517857 0.3035598 0.5590213), wk = 0.0019231 k( 499) = ( 0.1562500 0.3124880 0.5590213), wk = 0.0019231 k( 500) = ( 0.1607143 0.3214162 0.5590213), wk = 0.0019231 k( 501) = ( 0.1651786 0.3303445 0.5590213), wk = 0.0019231 k( 502) = ( 0.1696429 0.3392727 0.5590213), wk = 0.0019231 k( 503) = ( 0.1741071 0.3482009 0.5590213), wk = 0.0019231 k( 504) = ( 0.1785714 0.3571292 0.5590213), wk = 0.0019231 k( 505) = ( 0.1830357 0.3660574 0.5590213), wk = 0.0019231 k( 506) = ( 0.1875000 0.3749856 0.5590213), wk = 0.0019231 k( 507) = ( 0.1919643 0.3839138 0.5590213), wk = 0.0019231 k( 508) = ( 0.1964286 0.3928421 0.5590213), wk = 0.0019231 k( 509) = ( 0.2008929 0.4017703 0.5590213), wk = 0.0019231 k( 510) = ( 0.2053571 0.4106985 0.5590213), wk = 0.0019231 k( 511) = ( 0.2098214 0.4196268 0.5590213), wk = 0.0019231 k( 512) = ( 0.2142857 0.4285550 0.5590213), wk = 0.0019231 k( 513) = ( 0.2187500 0.4374832 0.5590213), wk = 0.0019231 k( 514) = ( 0.2232143 0.4464114 0.5590213), wk = 0.0019231 k( 515) = ( 0.2276786 0.4553397 0.5590213), wk = 0.0019231 k( 516) = ( 0.2321429 0.4642679 0.5590213), wk = 0.0019231 k( 517) = ( 0.2366071 0.4731961 0.5590213), wk = 0.0019231 k( 518) = ( 0.2410714 0.4821244 0.5590213), wk = 0.0019231 k( 519) = ( 0.2455357 0.4910526 0.5590213), wk = 0.0019231 k( 520) = ( 0.2500000 0.4999808 0.5590213), wk = 0.0019231 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 2) = ( 0.0000000 0.0000000 0.0089286), wk = 0.0019231 k( 3) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0019231 k( 4) = ( 0.0000000 0.0000000 0.0267857), wk = 0.0019231 k( 5) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0019231 k( 6) = ( 0.0000000 0.0000000 0.0446429), wk = 0.0019231 k( 7) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0019231 k( 8) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0019231 k( 9) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0019231 k( 10) = ( 0.0000000 0.0000000 0.0803571), wk = 0.0019231 k( 11) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0019231 k( 12) = ( 0.0000000 0.0000000 0.0982143), wk = 0.0019231 k( 13) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0019231 k( 14) = ( 0.0000000 0.0000000 0.1160714), wk = 0.0019231 k( 15) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0019231 k( 16) = ( 0.0000000 0.0000000 0.1339286), wk = 0.0019231 k( 17) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0019231 k( 18) = ( 0.0000000 0.0000000 0.1517857), wk = 0.0019231 k( 19) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0019231 k( 20) = ( 0.0000000 0.0000000 0.1696429), wk = 0.0019231 k( 21) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0019231 k( 22) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0019231 k( 23) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0019231 k( 24) = ( 0.0000000 0.0000000 0.2053571), wk = 0.0019231 k( 25) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0019231 k( 26) = ( 0.0000000 0.0000000 0.2232143), wk = 0.0019231 k( 27) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0019231 k( 28) = ( 0.0000000 0.0000000 0.2410714), wk = 0.0019231 k( 29) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019231 k( 30) = ( 0.0000000 0.0000000 0.2589286), wk = 0.0019231 k( 31) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0019231 k( 32) = ( 0.0000000 0.0000000 0.2767857), wk = 0.0019231 k( 33) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0019231 k( 34) = ( 0.0000000 0.0000000 0.2946429), wk = 0.0019231 k( 35) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0019231 k( 36) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0019231 k( 37) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0019231 k( 38) = ( 0.0000000 0.0000000 0.3303571), wk = 0.0019231 k( 39) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0019231 k( 40) = ( 0.0000000 0.0000000 0.3482143), wk = 0.0019231 k( 41) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0019231 k( 42) = ( 0.0000000 0.0000000 0.3660714), wk = 0.0019231 k( 43) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0019231 k( 44) = ( 0.0000000 0.0000000 0.3839286), wk = 0.0019231 k( 45) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0019231 k( 46) = ( 0.0000000 0.0000000 0.4017857), wk = 0.0019231 k( 47) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0019231 k( 48) = ( 0.0000000 0.0000000 0.4196429), wk = 0.0019231 k( 49) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0019231 k( 50) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0019231 k( 51) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0019231 k( 52) = ( 0.0000000 0.0000000 0.4553571), wk = 0.0019231 k( 53) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0019231 k( 54) = ( 0.0000000 0.0000000 0.4732143), wk = 0.0019231 k( 55) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0019231 k( 56) = ( 0.0000000 0.0000000 0.4910714), wk = 0.0019231 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 58) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 59) = ( -0.0089286 0.0089286 0.5000000), wk = 0.0019231 k( 60) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0019231 k( 61) = ( -0.0267857 0.0267857 0.5000000), wk = 0.0019231 k( 62) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0019231 k( 63) = ( -0.0446429 0.0446429 0.5000000), wk = 0.0019231 k( 64) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0019231 k( 65) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0019231 k( 66) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0019231 k( 67) = ( -0.0803571 0.0803571 0.5000000), wk = 0.0019231 k( 68) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0019231 k( 69) = ( -0.0982143 0.0982143 0.5000000), wk = 0.0019231 k( 70) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0019231 k( 71) = ( -0.1160714 0.1160714 0.5000000), wk = 0.0019231 k( 72) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0019231 k( 73) = ( -0.1339286 0.1339286 0.5000000), wk = 0.0019231 k( 74) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0019231 k( 75) = ( -0.1517857 0.1517857 0.5000000), wk = 0.0019231 k( 76) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0019231 k( 77) = ( -0.1696429 0.1696429 0.5000000), wk = 0.0019231 k( 78) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0019231 k( 79) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0019231 k( 80) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0019231 k( 81) = ( -0.2053571 0.2053571 0.5000000), wk = 0.0019231 k( 82) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0019231 k( 83) = ( -0.2232143 0.2232143 0.5000000), wk = 0.0019231 k( 84) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0019231 k( 85) = ( -0.2410714 0.2410714 0.5000000), wk = 0.0019231 k( 86) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0019231 k( 87) = ( -0.2589286 0.2589286 0.5000000), wk = 0.0019231 k( 88) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0019231 k( 89) = ( -0.2767857 0.2767857 0.5000000), wk = 0.0019231 k( 90) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0019231 k( 91) = ( -0.2946429 0.2946429 0.5000000), wk = 0.0019231 k( 92) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0019231 k( 93) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0019231 k( 94) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0019231 k( 95) = ( -0.3303571 0.3303571 0.5000000), wk = 0.0019231 k( 96) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0019231 k( 97) = ( -0.3482143 0.3482143 0.5000000), wk = 0.0019231 k( 98) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0019231 k( 99) = ( -0.3660714 0.3660714 0.5000000), wk = 0.0019231 k( 100) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0019231 k( 101) = ( -0.3839286 0.3839286 0.5000000), wk = 0.0019231 k( 102) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0019231 k( 103) = ( -0.4017857 0.4017857 0.5000000), wk = 0.0019231 k( 104) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0019231 k( 105) = ( -0.4196429 0.4196429 0.5000000), wk = 0.0019231 k( 106) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0019231 k( 107) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0019231 k( 108) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0019231 k( 109) = ( -0.4553571 0.4553571 0.5000000), wk = 0.0019231 k( 110) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0019231 k( 111) = ( -0.4732143 0.4732143 0.5000000), wk = 0.0019231 k( 112) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0019231 k( 113) = ( -0.4910714 0.4910714 0.5000000), wk = 0.0019231 k( 114) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019231 k( 115) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019231 k( 116) = ( -0.4936709 0.4936709 0.4936709), wk = 0.0019231 k( 117) = ( -0.4873418 0.4873418 0.4873418), wk = 0.0019231 k( 118) = ( -0.4810127 0.4810127 0.4810127), wk = 0.0019231 k( 119) = ( -0.4746835 0.4746835 0.4746835), wk = 0.0019231 k( 120) = ( -0.4683544 0.4683544 0.4683544), wk = 0.0019231 k( 121) = ( -0.4620253 0.4620253 0.4620253), wk = 0.0019231 k( 122) = ( -0.4556962 0.4556962 0.4556962), wk = 0.0019231 k( 123) = ( -0.4493671 0.4493671 0.4493671), wk = 0.0019231 k( 124) = ( -0.4430380 0.4430380 0.4430380), wk = 0.0019231 k( 125) = ( -0.4367089 0.4367089 0.4367089), wk = 0.0019231 k( 126) = ( -0.4303798 0.4303797 0.4303797), wk = 0.0019231 k( 127) = ( -0.4240506 0.4240506 0.4240506), wk = 0.0019231 k( 128) = ( -0.4177215 0.4177215 0.4177215), wk = 0.0019231 k( 129) = ( -0.4113924 0.4113924 0.4113924), wk = 0.0019231 k( 130) = ( -0.4050633 0.4050633 0.4050633), wk = 0.0019231 k( 131) = ( -0.3987342 0.3987342 0.3987342), wk = 0.0019231 k( 132) = ( -0.3924051 0.3924051 0.3924051), wk = 0.0019231 k( 133) = ( -0.3860760 0.3860759 0.3860760), wk = 0.0019231 k( 134) = ( -0.3797468 0.3797468 0.3797468), wk = 0.0019231 k( 135) = ( -0.3734177 0.3734177 0.3734177), wk = 0.0019231 k( 136) = ( -0.3670886 0.3670886 0.3670886), wk = 0.0019231 k( 137) = ( -0.3607595 0.3607595 0.3607595), wk = 0.0019231 k( 138) = ( -0.3544304 0.3544304 0.3544304), wk = 0.0019231 k( 139) = ( -0.3481013 0.3481013 0.3481013), wk = 0.0019231 k( 140) = ( -0.3417721 0.3417721 0.3417721), wk = 0.0019231 k( 141) = ( -0.3354430 0.3354430 0.3354430), wk = 0.0019231 k( 142) = ( -0.3291139 0.3291139 0.3291139), wk = 0.0019231 k( 143) = ( -0.3227848 0.3227848 0.3227848), wk = 0.0019231 k( 144) = ( -0.3164557 0.3164557 0.3164557), wk = 0.0019231 k( 145) = ( -0.3101266 0.3101266 0.3101266), wk = 0.0019231 k( 146) = ( -0.3037975 0.3037975 0.3037975), wk = 0.0019231 k( 147) = ( -0.2974683 0.2974683 0.2974683), wk = 0.0019231 k( 148) = ( -0.2911392 0.2911392 0.2911392), wk = 0.0019231 k( 149) = ( -0.2848101 0.2848101 0.2848101), wk = 0.0019231 k( 150) = ( -0.2784810 0.2784810 0.2784810), wk = 0.0019231 k( 151) = ( -0.2721519 0.2721519 0.2721519), wk = 0.0019231 k( 152) = ( -0.2658228 0.2658228 0.2658228), wk = 0.0019231 k( 153) = ( -0.2594937 0.2594937 0.2594937), wk = 0.0019231 k( 154) = ( -0.2531646 0.2531646 0.2531646), wk = 0.0019231 k( 155) = ( -0.2468354 0.2468354 0.2468354), wk = 0.0019231 k( 156) = ( -0.2405063 0.2405063 0.2405063), wk = 0.0019231 k( 157) = ( -0.2341772 0.2341772 0.2341772), wk = 0.0019231 k( 158) = ( -0.2278481 0.2278481 0.2278481), wk = 0.0019231 k( 159) = ( -0.2215190 0.2215190 0.2215190), wk = 0.0019231 k( 160) = ( -0.2151899 0.2151899 0.2151899), wk = 0.0019231 k( 161) = ( -0.2088608 0.2088608 0.2088608), wk = 0.0019231 k( 162) = ( -0.2025317 0.2025316 0.2025316), wk = 0.0019231 k( 163) = ( -0.1962025 0.1962025 0.1962025), wk = 0.0019231 k( 164) = ( -0.1898734 0.1898734 0.1898734), wk = 0.0019231 k( 165) = ( -0.1835443 0.1835443 0.1835443), wk = 0.0019231 k( 166) = ( -0.1772152 0.1772152 0.1772152), wk = 0.0019231 k( 167) = ( -0.1708861 0.1708861 0.1708861), wk = 0.0019231 k( 168) = ( -0.1645570 0.1645570 0.1645570), wk = 0.0019231 k( 169) = ( -0.1582279 0.1582279 0.1582279), wk = 0.0019231 k( 170) = ( -0.1518987 0.1518987 0.1518987), wk = 0.0019231 k( 171) = ( -0.1455696 0.1455696 0.1455696), wk = 0.0019231 k( 172) = ( -0.1392405 0.1392405 0.1392405), wk = 0.0019231 k( 173) = ( -0.1329114 0.1329114 0.1329114), wk = 0.0019231 k( 174) = ( -0.1265823 0.1265823 0.1265823), wk = 0.0019231 k( 175) = ( -0.1202532 0.1202532 0.1202532), wk = 0.0019231 k( 176) = ( -0.1139240 0.1139240 0.1139240), wk = 0.0019231 k( 177) = ( -0.1075949 0.1075949 0.1075949), wk = 0.0019231 k( 178) = ( -0.1012658 0.1012658 0.1012658), wk = 0.0019231 k( 179) = ( -0.0949367 0.0949367 0.0949367), wk = 0.0019231 k( 180) = ( -0.0886076 0.0886076 0.0886076), wk = 0.0019231 k( 181) = ( -0.0822785 0.0822785 0.0822785), wk = 0.0019231 k( 182) = ( -0.0759494 0.0759494 0.0759494), wk = 0.0019231 k( 183) = ( -0.0696202 0.0696202 0.0696202), wk = 0.0019231 k( 184) = ( -0.0632911 0.0632911 0.0632911), wk = 0.0019231 k( 185) = ( -0.0569620 0.0569620 0.0569620), wk = 0.0019231 k( 186) = ( -0.0506329 0.0506329 0.0506329), wk = 0.0019231 k( 187) = ( -0.0443038 0.0443038 0.0443038), wk = 0.0019231 k( 188) = ( -0.0379747 0.0379747 0.0379747), wk = 0.0019231 k( 189) = ( -0.0316456 0.0316456 0.0316456), wk = 0.0019231 k( 190) = ( -0.0253165 0.0253165 0.0253165), wk = 0.0019231 k( 191) = ( -0.0189873 0.0189873 0.0189873), wk = 0.0019231 k( 192) = ( -0.0126582 0.0126582 0.0126582), wk = 0.0019231 k( 193) = ( -0.0063291 0.0063291 0.0063291), wk = 0.0019231 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019231 k( 196) = ( 0.0044644 0.0044644 -0.0044644), wk = 0.0019231 k( 197) = ( 0.0089288 0.0089288 -0.0089288), wk = 0.0019231 k( 198) = ( 0.0133932 0.0133932 -0.0133932), wk = 0.0019231 k( 199) = ( 0.0178576 0.0178576 -0.0178576), wk = 0.0019231 k( 200) = ( 0.0223220 0.0223220 -0.0223220), wk = 0.0019231 k( 201) = ( 0.0267864 0.0267864 -0.0267864), wk = 0.0019231 k( 202) = ( 0.0312508 0.0312508 -0.0312508), wk = 0.0019231 k( 203) = ( 0.0357152 0.0357152 -0.0357152), wk = 0.0019231 k( 204) = ( 0.0401796 0.0401796 -0.0401796), wk = 0.0019231 k( 205) = ( 0.0446440 0.0446440 -0.0446440), wk = 0.0019231 k( 206) = ( 0.0491084 0.0491084 -0.0491084), wk = 0.0019231 k( 207) = ( 0.0535728 0.0535728 -0.0535728), wk = 0.0019231 k( 208) = ( 0.0580372 0.0580372 -0.0580372), wk = 0.0019231 k( 209) = ( 0.0625016 0.0625016 -0.0625016), wk = 0.0019231 k( 210) = ( 0.0669660 0.0669660 -0.0669660), wk = 0.0019231 k( 211) = ( 0.0714304 0.0714304 -0.0714304), wk = 0.0019231 k( 212) = ( 0.0758948 0.0758948 -0.0758948), wk = 0.0019231 k( 213) = ( 0.0803592 0.0803592 -0.0803592), wk = 0.0019231 k( 214) = ( 0.0848236 0.0848236 -0.0848236), wk = 0.0019231 k( 215) = ( 0.0892880 0.0892880 -0.0892880), wk = 0.0019231 k( 216) = ( 0.0937524 0.0937524 -0.0937524), wk = 0.0019231 k( 217) = ( 0.0982168 0.0982168 -0.0982168), wk = 0.0019231 k( 218) = ( 0.1026812 0.1026812 -0.1026812), wk = 0.0019231 k( 219) = ( 0.1071456 0.1071456 -0.1071456), wk = 0.0019231 k( 220) = ( 0.1116100 0.1116100 -0.1116100), wk = 0.0019231 k( 221) = ( 0.1160744 0.1160744 -0.1160744), wk = 0.0019231 k( 222) = ( 0.1205388 0.1205388 -0.1205388), wk = 0.0019231 k( 223) = ( 0.1250032 0.1250032 -0.1250032), wk = 0.0019231 k( 224) = ( 0.1294676 0.1294676 -0.1294676), wk = 0.0019231 k( 225) = ( 0.1339320 0.1339320 -0.1339320), wk = 0.0019231 k( 226) = ( 0.1383964 0.1383964 -0.1383964), wk = 0.0019231 k( 227) = ( 0.1428608 0.1428608 -0.1428608), wk = 0.0019231 k( 228) = ( 0.1473252 0.1473252 -0.1473252), wk = 0.0019231 k( 229) = ( 0.1517896 0.1517896 -0.1517896), wk = 0.0019231 k( 230) = ( 0.1562540 0.1562540 -0.1562540), wk = 0.0019231 k( 231) = ( 0.1607184 0.1607184 -0.1607184), wk = 0.0019231 k( 232) = ( 0.1651828 0.1651828 -0.1651828), wk = 0.0019231 k( 233) = ( 0.1696472 0.1696472 -0.1696472), wk = 0.0019231 k( 234) = ( 0.1741116 0.1741116 -0.1741116), wk = 0.0019231 k( 235) = ( 0.1785760 0.1785760 -0.1785760), wk = 0.0019231 k( 236) = ( 0.1830404 0.1830404 -0.1830404), wk = 0.0019231 k( 237) = ( 0.1875048 0.1875048 -0.1875048), wk = 0.0019231 k( 238) = ( 0.1919692 0.1919692 -0.1919692), wk = 0.0019231 k( 239) = ( 0.1964336 0.1964336 -0.1964336), wk = 0.0019231 k( 240) = ( 0.2008980 0.2008980 -0.2008980), wk = 0.0019231 k( 241) = ( 0.2053624 0.2053624 -0.2053624), wk = 0.0019231 k( 242) = ( 0.2098268 0.2098268 -0.2098268), wk = 0.0019231 k( 243) = ( 0.2142912 0.2142912 -0.2142912), wk = 0.0019231 k( 244) = ( 0.2187556 0.2187556 -0.2187556), wk = 0.0019231 k( 245) = ( 0.2232200 0.2232200 -0.2232200), wk = 0.0019231 k( 246) = ( 0.2276844 0.2276844 -0.2276844), wk = 0.0019231 k( 247) = ( 0.2321488 0.2321488 -0.2321488), wk = 0.0019231 k( 248) = ( 0.2366132 0.2366132 -0.2366132), wk = 0.0019231 k( 249) = ( 0.2410776 0.2410776 -0.2410776), wk = 0.0019231 k( 250) = ( 0.2455420 0.2455420 -0.2455420), wk = 0.0019231 k( 251) = ( 0.2500064 0.2500064 -0.2500064), wk = 0.0019231 k( 252) = ( 0.2544708 0.2544708 -0.2544708), wk = 0.0019231 k( 253) = ( 0.2589352 0.2589352 -0.2589352), wk = 0.0019231 k( 254) = ( 0.2633996 0.2633996 -0.2633996), wk = 0.0019231 k( 255) = ( 0.2678640 0.2678640 -0.2678640), wk = 0.0019231 k( 256) = ( 0.2723284 0.2723284 -0.2723284), wk = 0.0019231 k( 257) = ( 0.2767928 0.2767928 -0.2767928), wk = 0.0019231 k( 258) = ( 0.2812572 0.2812572 -0.2812572), wk = 0.0019231 k( 259) = ( 0.2857216 0.2857216 -0.2857216), wk = 0.0019231 k( 260) = ( 0.2901860 0.2901860 -0.2901860), wk = 0.0019231 k( 261) = ( 0.2946504 0.2946504 -0.2946504), wk = 0.0019231 k( 262) = ( 0.2991148 0.2991148 -0.2991148), wk = 0.0019231 k( 263) = ( 0.3035792 0.3035792 -0.3035792), wk = 0.0019231 k( 264) = ( 0.3080436 0.3080436 -0.3080436), wk = 0.0019231 k( 265) = ( 0.3125080 0.3125080 -0.3125080), wk = 0.0019231 k( 266) = ( 0.3169724 0.3169724 -0.3169724), wk = 0.0019231 k( 267) = ( 0.3214368 0.3214368 -0.3214368), wk = 0.0019231 k( 268) = ( 0.3259012 0.3259012 -0.3259012), wk = 0.0019231 k( 269) = ( 0.3303656 0.3303656 -0.3303656), wk = 0.0019231 k( 270) = ( 0.3348300 0.3348300 -0.3348300), wk = 0.0019231 k( 271) = ( 0.3392944 0.3392944 -0.3392944), wk = 0.0019231 k( 272) = ( 0.3437588 0.3437588 -0.3437588), wk = 0.0019231 k( 273) = ( 0.3482232 0.3482232 -0.3482232), wk = 0.0019231 k( 274) = ( 0.3526876 0.3526876 -0.3526876), wk = 0.0019231 k( 275) = ( 0.3571520 0.3571520 -0.3571520), wk = 0.0019231 k( 276) = ( 0.3616164 0.3616164 -0.3616164), wk = 0.0019231 k( 277) = ( 0.3660808 0.3660808 -0.3660808), wk = 0.0019231 k( 278) = ( 0.3705452 0.3705452 -0.3705452), wk = 0.0019231 k( 279) = ( 0.3750096 0.3750096 -0.3750096), wk = 0.0019231 k( 280) = ( 0.3750096 0.3750096 -0.3750096), wk = 0.0019231 k( 281) = ( 0.3730253 0.3730253 -0.3650888), wk = 0.0019231 k( 282) = ( 0.3710410 0.3710410 -0.3551680), wk = 0.0019231 k( 283) = ( 0.3690568 0.3690568 -0.3452472), wk = 0.0019231 k( 284) = ( 0.3670725 0.3670725 -0.3353264), wk = 0.0019231 k( 285) = ( 0.3650882 0.3650882 -0.3254057), wk = 0.0019231 k( 286) = ( 0.3631039 0.3631039 -0.3154849), wk = 0.0019231 k( 287) = ( 0.3611196 0.3611196 -0.3055641), wk = 0.0019231 k( 288) = ( 0.3591354 0.3591354 -0.2956433), wk = 0.0019231 k( 289) = ( 0.3571511 0.3571511 -0.2857225), wk = 0.0019231 k( 290) = ( 0.3551668 0.3551668 -0.2758017), wk = 0.0019231 k( 291) = ( 0.3531825 0.3531825 -0.2658809), wk = 0.0019231 k( 292) = ( 0.3511982 0.3511982 -0.2559601), wk = 0.0019231 k( 293) = ( 0.3492140 0.3492140 -0.2460394), wk = 0.0019231 k( 294) = ( 0.3472297 0.3472297 -0.2361186), wk = 0.0019231 k( 295) = ( 0.3452454 0.3452454 -0.2261978), wk = 0.0019231 k( 296) = ( 0.3432611 0.3432611 -0.2162770), wk = 0.0019231 k( 297) = ( 0.3412769 0.3412768 -0.2063562), wk = 0.0019231 k( 298) = ( 0.3392926 0.3392926 -0.1964354), wk = 0.0019231 k( 299) = ( 0.3373083 0.3373083 -0.1865146), wk = 0.0019231 k( 300) = ( 0.3353240 0.3353240 -0.1765939), wk = 0.0019231 k( 301) = ( 0.3333397 0.3333397 -0.1666731), wk = 0.0019231 k( 302) = ( 0.3313554 0.3313554 -0.1567523), wk = 0.0019231 k( 303) = ( 0.3293712 0.3293712 -0.1468315), wk = 0.0019231 k( 304) = ( 0.3273869 0.3273869 -0.1369107), wk = 0.0019231 k( 305) = ( 0.3254026 0.3254026 -0.1269899), wk = 0.0019231 k( 306) = ( 0.3234183 0.3234183 -0.1170691), wk = 0.0019231 k( 307) = ( 0.3214341 0.3214340 -0.1071483), wk = 0.0019231 k( 308) = ( 0.3194498 0.3194498 -0.0972275), wk = 0.0019231 k( 309) = ( 0.3174655 0.3174655 -0.0873068), wk = 0.0019231 k( 310) = ( 0.3154812 0.3154812 -0.0773860), wk = 0.0019231 k( 311) = ( 0.3134969 0.3134969 -0.0674652), wk = 0.0019231 k( 312) = ( 0.3115127 0.3115127 -0.0575444), wk = 0.0019231 k( 313) = ( 0.3095284 0.3095284 -0.0476236), wk = 0.0019231 k( 314) = ( 0.3075441 0.3075441 -0.0377028), wk = 0.0019231 k( 315) = ( 0.3055598 0.3055598 -0.0277820), wk = 0.0019231 k( 316) = ( 0.3035755 0.3035755 -0.0178613), wk = 0.0019231 k( 317) = ( 0.3015913 0.3015913 -0.0079405), wk = 0.0019231 k( 318) = ( 0.2996070 0.2996070 0.0019803), wk = 0.0019231 k( 319) = ( 0.2976227 0.2976227 0.0119011), wk = 0.0019231 k( 320) = ( 0.2956384 0.2956384 0.0218219), wk = 0.0019231 k( 321) = ( 0.2936541 0.2936541 0.0317427), wk = 0.0019231 k( 322) = ( 0.2916699 0.2916699 0.0416635), wk = 0.0019231 k( 323) = ( 0.2896856 0.2896856 0.0515843), wk = 0.0019231 k( 324) = ( 0.2877013 0.2877013 0.0615050), wk = 0.0019231 k( 325) = ( 0.2857170 0.2857170 0.0714258), wk = 0.0019231 k( 326) = ( 0.2837327 0.2837327 0.0813466), wk = 0.0019231 k( 327) = ( 0.2817485 0.2817485 0.0912674), wk = 0.0019231 k( 328) = ( 0.2797642 0.2797642 0.1011882), wk = 0.0019231 k( 329) = ( 0.2777799 0.2777799 0.1111090), wk = 0.0019231 k( 330) = ( 0.2757956 0.2757956 0.1210298), wk = 0.0019231 k( 331) = ( 0.2738114 0.2738113 0.1309505), wk = 0.0019231 k( 332) = ( 0.2718271 0.2718271 0.1408713), wk = 0.0019231 k( 333) = ( 0.2698428 0.2698428 0.1507921), wk = 0.0019231 k( 334) = ( 0.2678585 0.2678585 0.1607129), wk = 0.0019231 k( 335) = ( 0.2658742 0.2658742 0.1706337), wk = 0.0019231 k( 336) = ( 0.2638899 0.2638899 0.1805545), wk = 0.0019231 k( 337) = ( 0.2619057 0.2619057 0.1904753), wk = 0.0019231 k( 338) = ( 0.2599214 0.2599214 0.2003961), wk = 0.0019231 k( 339) = ( 0.2579371 0.2579371 0.2103168), wk = 0.0019231 k( 340) = ( 0.2559528 0.2559528 0.2202376), wk = 0.0019231 k( 341) = ( 0.2539686 0.2539686 0.2301584), wk = 0.0019231 k( 342) = ( 0.2519843 0.2519843 0.2400792), wk = 0.0019231 k( 343) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019231 k( 344) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019231 k( 345) = ( 0.2437500 0.2562500 0.2437500), wk = 0.0019231 k( 346) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0019231 k( 347) = ( 0.2312500 0.2687500 0.2312500), wk = 0.0019231 k( 348) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0019231 k( 349) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0019231 k( 350) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0019231 k( 351) = ( 0.2062500 0.2937500 0.2062500), wk = 0.0019231 k( 352) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0019231 k( 353) = ( 0.1937500 0.3062500 0.1937500), wk = 0.0019231 k( 354) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0019231 k( 355) = ( 0.1812500 0.3187500 0.1812500), wk = 0.0019231 k( 356) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0019231 k( 357) = ( 0.1687500 0.3312500 0.1687500), wk = 0.0019231 k( 358) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0019231 k( 359) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0019231 k( 360) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0019231 k( 361) = ( 0.1437500 0.3562500 0.1437500), wk = 0.0019231 k( 362) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0019231 k( 363) = ( 0.1312500 0.3687500 0.1312500), wk = 0.0019231 k( 364) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0019231 k( 365) = ( 0.1187500 0.3812500 0.1187500), wk = 0.0019231 k( 366) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0019231 k( 367) = ( 0.1062500 0.3937500 0.1062500), wk = 0.0019231 k( 368) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0019231 k( 369) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0019231 k( 370) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0019231 k( 371) = ( 0.0812500 0.4187500 0.0812500), wk = 0.0019231 k( 372) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0019231 k( 373) = ( 0.0687500 0.4312500 0.0687500), wk = 0.0019231 k( 374) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0019231 k( 375) = ( 0.0562500 0.4437500 0.0562500), wk = 0.0019231 k( 376) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0019231 k( 377) = ( 0.0437500 0.4562500 0.0437500), wk = 0.0019231 k( 378) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0019231 k( 379) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0019231 k( 380) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0019231 k( 381) = ( 0.0187500 0.4812500 0.0187500), wk = 0.0019231 k( 382) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0019231 k( 383) = ( 0.0062500 0.4937500 0.0062500), wk = 0.0019231 k( 384) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019231 k( 385) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0019231 k( 386) = ( -0.0076533 0.5025508 0.0076533), wk = 0.0019231 k( 387) = ( -0.0153065 0.5051016 0.0153065), wk = 0.0019231 k( 388) = ( -0.0229598 0.5076525 0.0229598), wk = 0.0019231 k( 389) = ( -0.0306130 0.5102033 0.0306130), wk = 0.0019231 k( 390) = ( -0.0382663 0.5127541 0.0382663), wk = 0.0019231 k( 391) = ( -0.0459195 0.5153049 0.0459195), wk = 0.0019231 k( 392) = ( -0.0535728 0.5178558 0.0535728), wk = 0.0019231 k( 393) = ( -0.0612261 0.5204066 0.0612261), wk = 0.0019231 k( 394) = ( -0.0688793 0.5229574 0.0688793), wk = 0.0019231 k( 395) = ( -0.0765326 0.5255083 0.0765326), wk = 0.0019231 k( 396) = ( -0.0841858 0.5280591 0.0841858), wk = 0.0019231 k( 397) = ( -0.0918391 0.5306099 0.0918391), wk = 0.0019231 k( 398) = ( -0.0994923 0.5331607 0.0994923), wk = 0.0019231 k( 399) = ( -0.1071456 0.5357115 0.1071456), wk = 0.0019231 k( 400) = ( -0.1147989 0.5382624 0.1147989), wk = 0.0019231 k( 401) = ( -0.1224521 0.5408132 0.1224521), wk = 0.0019231 k( 402) = ( -0.1301054 0.5433640 0.1301054), wk = 0.0019231 k( 403) = ( -0.1377586 0.5459148 0.1377586), wk = 0.0019231 k( 404) = ( -0.1454119 0.5484657 0.1454119), wk = 0.0019231 k( 405) = ( -0.1530651 0.5510165 0.1530651), wk = 0.0019231 k( 406) = ( -0.1607184 0.5535673 0.1607184), wk = 0.0019231 k( 407) = ( -0.1683717 0.5561181 0.1683717), wk = 0.0019231 k( 408) = ( -0.1760249 0.5586690 0.1760249), wk = 0.0019231 k( 409) = ( -0.1836782 0.5612198 0.1836782), wk = 0.0019231 k( 410) = ( -0.1913314 0.5637706 0.1913314), wk = 0.0019231 k( 411) = ( -0.1989847 0.5663214 0.1989847), wk = 0.0019231 k( 412) = ( -0.2066379 0.5688723 0.2066379), wk = 0.0019231 k( 413) = ( -0.2142912 0.5714231 0.2142912), wk = 0.0019231 k( 414) = ( -0.2219444 0.5739739 0.2219445), wk = 0.0019231 k( 415) = ( -0.2295977 0.5765247 0.2295977), wk = 0.0019231 k( 416) = ( -0.2372510 0.5790756 0.2372510), wk = 0.0019231 k( 417) = ( -0.2449042 0.5816264 0.2449042), wk = 0.0019231 k( 418) = ( -0.2525575 0.5841772 0.2525575), wk = 0.0019231 k( 419) = ( -0.2602107 0.5867280 0.2602107), wk = 0.0019231 k( 420) = ( -0.2678640 0.5892789 0.2678640), wk = 0.0019231 k( 421) = ( -0.2755172 0.5918297 0.2755172), wk = 0.0019231 k( 422) = ( -0.2831705 0.5943805 0.2831705), wk = 0.0019231 k( 423) = ( -0.2908238 0.5969313 0.2908238), wk = 0.0019231 k( 424) = ( -0.2984770 0.5994822 0.2984770), wk = 0.0019231 k( 425) = ( -0.3061303 0.6020330 0.3061303), wk = 0.0019231 k( 426) = ( -0.3137835 0.6045838 0.3137835), wk = 0.0019231 k( 427) = ( -0.3214368 0.6071346 0.3214368), wk = 0.0019231 k( 428) = ( -0.3290901 0.6096855 0.3290900), wk = 0.0019231 k( 429) = ( -0.3367433 0.6122363 0.3367433), wk = 0.0019231 k( 430) = ( -0.3443966 0.6147871 0.3443966), wk = 0.0019231 k( 431) = ( -0.3520498 0.6173379 0.3520498), wk = 0.0019231 k( 432) = ( -0.3597031 0.6198888 0.3597031), wk = 0.0019231 k( 433) = ( -0.3673563 0.6224396 0.3673563), wk = 0.0019231 k( 434) = ( -0.3750096 0.6249904 0.3750096), wk = 0.0019231 k( 435) = ( -0.3750096 0.6249904 0.3750096), wk = 0.0019231 k( 436) = ( -0.3794735 0.6205265 0.3794735), wk = 0.0019231 k( 437) = ( -0.3839375 0.6160625 0.3839375), wk = 0.0019231 k( 438) = ( -0.3884014 0.6115986 0.3884014), wk = 0.0019231 k( 439) = ( -0.3928654 0.6071346 0.3928654), wk = 0.0019231 k( 440) = ( -0.3973293 0.6026707 0.3973293), wk = 0.0019231 k( 441) = ( -0.4017932 0.5982068 0.4017932), wk = 0.0019231 k( 442) = ( -0.4062572 0.5937428 0.4062572), wk = 0.0019231 k( 443) = ( -0.4107211 0.5892789 0.4107211), wk = 0.0019231 k( 444) = ( -0.4151851 0.5848149 0.4151851), wk = 0.0019231 k( 445) = ( -0.4196490 0.5803510 0.4196490), wk = 0.0019231 k( 446) = ( -0.4241130 0.5758870 0.4241130), wk = 0.0019231 k( 447) = ( -0.4285769 0.5714231 0.4285769), wk = 0.0019231 k( 448) = ( -0.4330408 0.5669591 0.4330408), wk = 0.0019231 k( 449) = ( -0.4375048 0.5624952 0.4375048), wk = 0.0019231 k( 450) = ( -0.4419687 0.5580313 0.4419687), wk = 0.0019231 k( 451) = ( -0.4464327 0.5535673 0.4464327), wk = 0.0019231 k( 452) = ( -0.4508966 0.5491034 0.4508966), wk = 0.0019231 k( 453) = ( -0.4553606 0.5446394 0.4553606), wk = 0.0019231 k( 454) = ( -0.4598245 0.5401755 0.4598245), wk = 0.0019231 k( 455) = ( -0.4642885 0.5357115 0.4642885), wk = 0.0019231 k( 456) = ( -0.4687524 0.5312476 0.4687524), wk = 0.0019231 k( 457) = ( -0.4732163 0.5267837 0.4732163), wk = 0.0019231 k( 458) = ( -0.4776803 0.5223197 0.4776803), wk = 0.0019231 k( 459) = ( -0.4821442 0.5178558 0.4821442), wk = 0.0019231 k( 460) = ( -0.4866082 0.5133918 0.4866082), wk = 0.0019231 k( 461) = ( -0.4910721 0.5089279 0.4910721), wk = 0.0019231 k( 462) = ( -0.4955361 0.5044639 0.4955361), wk = 0.0019231 k( 463) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0019231 k( 464) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019231 k( 465) = ( 0.0044643 0.0044643 0.4955357), wk = 0.0019231 k( 466) = ( 0.0089286 0.0089286 0.4910714), wk = 0.0019231 k( 467) = ( 0.0133929 0.0133929 0.4866071), wk = 0.0019231 k( 468) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0019231 k( 469) = ( 0.0223214 0.0223214 0.4776786), wk = 0.0019231 k( 470) = ( 0.0267857 0.0267857 0.4732143), wk = 0.0019231 k( 471) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0019231 k( 472) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0019231 k( 473) = ( 0.0401786 0.0401786 0.4598214), wk = 0.0019231 k( 474) = ( 0.0446429 0.0446429 0.4553571), wk = 0.0019231 k( 475) = ( 0.0491071 0.0491071 0.4508929), wk = 0.0019231 k( 476) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0019231 k( 477) = ( 0.0580357 0.0580357 0.4419643), wk = 0.0019231 k( 478) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0019231 k( 479) = ( 0.0669643 0.0669643 0.4330357), wk = 0.0019231 k( 480) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0019231 k( 481) = ( 0.0758929 0.0758929 0.4241071), wk = 0.0019231 k( 482) = ( 0.0803571 0.0803571 0.4196429), wk = 0.0019231 k( 483) = ( 0.0848214 0.0848214 0.4151786), wk = 0.0019231 k( 484) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0019231 k( 485) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0019231 k( 486) = ( 0.0982143 0.0982143 0.4017857), wk = 0.0019231 k( 487) = ( 0.1026786 0.1026786 0.3973214), wk = 0.0019231 k( 488) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0019231 k( 489) = ( 0.1116071 0.1116071 0.3883929), wk = 0.0019231 k( 490) = ( 0.1160714 0.1160714 0.3839286), wk = 0.0019231 k( 491) = ( 0.1205357 0.1205357 0.3794643), wk = 0.0019231 k( 492) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0019231 k( 493) = ( 0.1294643 0.1294643 0.3705357), wk = 0.0019231 k( 494) = ( 0.1339286 0.1339286 0.3660714), wk = 0.0019231 k( 495) = ( 0.1383929 0.1383929 0.3616071), wk = 0.0019231 k( 496) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0019231 k( 497) = ( 0.1473214 0.1473214 0.3526786), wk = 0.0019231 k( 498) = ( 0.1517857 0.1517857 0.3482143), wk = 0.0019231 k( 499) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0019231 k( 500) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0019231 k( 501) = ( 0.1651786 0.1651786 0.3348214), wk = 0.0019231 k( 502) = ( 0.1696429 0.1696429 0.3303571), wk = 0.0019231 k( 503) = ( 0.1741071 0.1741071 0.3258929), wk = 0.0019231 k( 504) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0019231 k( 505) = ( 0.1830357 0.1830357 0.3169643), wk = 0.0019231 k( 506) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0019231 k( 507) = ( 0.1919643 0.1919643 0.3080357), wk = 0.0019231 k( 508) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0019231 k( 509) = ( 0.2008929 0.2008929 0.2991071), wk = 0.0019231 k( 510) = ( 0.2053571 0.2053571 0.2946429), wk = 0.0019231 k( 511) = ( 0.2098214 0.2098214 0.2901786), wk = 0.0019231 k( 512) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0019231 k( 513) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0019231 k( 514) = ( 0.2232143 0.2232143 0.2767857), wk = 0.0019231 k( 515) = ( 0.2276786 0.2276786 0.2723214), wk = 0.0019231 k( 516) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0019231 k( 517) = ( 0.2366071 0.2366071 0.2633929), wk = 0.0019231 k( 518) = ( 0.2410714 0.2410714 0.2589286), wk = 0.0019231 k( 519) = ( 0.2455357 0.2455357 0.2544643), wk = 0.0019231 k( 520) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0019231 Dense grid: 21805 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 5811 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 40, 20) NL pseudopotentials 0.01 Mb ( 20, 34) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 605) G-vector shells 0.00 Mb ( 276) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 40, 80) Each subspace H/S matrix 0.01 Mb ( 20, 20) Each matrix 0.02 Mb ( 34, 2, 20) The potential is recalculated from file : ./Hg.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.1 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.4 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.8 secs Computing kpt #: 14 total cpu time spent up to now is 3.9 secs Computing kpt #: 15 total cpu time spent up to now is 4.0 secs Computing kpt #: 16 total cpu time spent up to now is 4.1 secs Computing kpt #: 17 total cpu time spent up to now is 4.2 secs Computing kpt #: 18 total cpu time spent up to now is 4.3 secs Computing kpt #: 19 total cpu time spent up to now is 4.4 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.0 secs Computing kpt #: 28 total cpu time spent up to now is 5.1 secs Computing kpt #: 29 total cpu time spent up to now is 5.2 secs Computing kpt #: 30 total cpu time spent up to now is 5.3 secs Computing kpt #: 31 total cpu time spent up to now is 5.4 secs Computing kpt #: 32 total cpu time spent up to now is 5.5 secs Computing kpt #: 33 total cpu time spent up to now is 5.5 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 5.9 secs Computing kpt #: 38 total cpu time spent up to now is 6.0 secs Computing kpt #: 39 total cpu time spent up to now is 6.1 secs Computing kpt #: 40 total cpu time spent up to now is 6.2 secs Computing kpt #: 41 total cpu time spent up to now is 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.4 secs Computing kpt #: 43 total cpu time spent up to now is 6.5 secs Computing kpt #: 44 total cpu time spent up to now is 6.6 secs Computing kpt #: 45 total cpu time spent up to now is 6.7 secs Computing kpt #: 46 total cpu time spent up to now is 6.8 secs Computing kpt #: 47 total cpu time spent up to now is 6.9 secs Computing kpt #: 48 total cpu time spent up to now is 7.0 secs Computing kpt #: 49 total cpu time spent up to now is 7.1 secs Computing kpt #: 50 total cpu time spent up to now is 7.2 secs Computing kpt #: 51 total cpu time spent up to now is 7.2 secs Computing kpt #: 52 total cpu time spent up to now is 7.3 secs Computing kpt #: 53 total cpu time spent up to now is 7.4 secs Computing kpt #: 54 total cpu time spent up to now is 7.5 secs Computing kpt #: 55 total cpu time spent up to now is 7.6 secs Computing kpt #: 56 total cpu time spent up to now is 7.7 secs Computing kpt #: 57 total cpu time spent up to now is 7.8 secs Computing kpt #: 58 total cpu time spent up to now is 7.8 secs Computing kpt #: 59 total cpu time spent up to now is 7.9 secs Computing kpt #: 60 total cpu time spent up to now is 8.0 secs Computing kpt #: 61 total cpu time spent up to now is 8.1 secs Computing kpt #: 62 total cpu time spent up to now is 8.2 secs Computing kpt #: 63 total cpu time spent up to now is 8.3 secs Computing kpt #: 64 total cpu time spent up to now is 8.4 secs Computing kpt #: 65 total cpu time spent up to now is 8.5 secs Computing kpt #: 66 total cpu time spent up to now is 8.6 secs Computing kpt #: 67 total cpu time spent up to now is 8.7 secs Computing kpt #: 68 total cpu time spent up to now is 8.8 secs Computing kpt #: 69 total cpu time spent up to now is 8.9 secs Computing kpt #: 70 total cpu time spent up to now is 9.0 secs Computing kpt #: 71 total cpu time spent up to now is 9.1 secs Computing kpt #: 72 total cpu time spent up to now is 9.2 secs Computing kpt #: 73 total cpu time spent up to now is 9.3 secs Computing kpt #: 74 total cpu time spent up to now is 9.4 secs Computing kpt #: 75 total cpu time spent up to now is 9.5 secs Computing kpt #: 76 total cpu time spent up to now is 9.5 secs Computing kpt #: 77 total cpu time spent up to now is 9.6 secs Computing kpt #: 78 total cpu time spent up to now is 9.7 secs Computing kpt #: 79 total cpu time spent up to now is 9.8 secs Computing kpt #: 80 total cpu time spent up to now is 9.9 secs Computing kpt #: 81 total cpu time spent up to now is 9.9 secs Computing kpt #: 82 total cpu time spent up to now is 10.0 secs Computing kpt #: 83 total cpu time spent up to now is 10.1 secs Computing kpt #: 84 total cpu time spent up to now is 10.1 secs Computing kpt #: 85 total cpu time spent up to now is 10.2 secs Computing kpt #: 86 total cpu time spent up to now is 10.3 secs Computing kpt #: 87 total cpu time spent up to now is 10.3 secs Computing kpt #: 88 total cpu time spent up to now is 10.4 secs Computing kpt #: 89 total cpu time spent up to now is 10.5 secs Computing kpt #: 90 total cpu time spent up to now is 10.5 secs Computing kpt #: 91 total cpu time spent up to now is 10.6 secs Computing kpt #: 92 total cpu time spent up to now is 10.7 secs Computing kpt #: 93 total cpu time spent up to now is 10.7 secs Computing kpt #: 94 total cpu time spent up to now is 10.8 secs Computing kpt #: 95 total cpu time spent up to now is 10.9 secs Computing kpt #: 96 total cpu time spent up to now is 10.9 secs Computing kpt #: 97 total cpu time spent up to now is 11.0 secs Computing kpt #: 98 total cpu time spent up to now is 11.1 secs Computing kpt #: 99 total cpu time spent up to now is 11.1 secs Computing kpt #: 100 total cpu time spent up to now is 11.2 secs Computing kpt #: 101 total cpu time spent up to now is 11.2 secs Computing kpt #: 102 total cpu time spent up to now is 11.3 secs Computing kpt #: 103 total cpu time spent up to now is 11.4 secs Computing kpt #: 104 total cpu time spent up to now is 11.4 secs Computing kpt #: 105 total cpu time spent up to now is 11.5 secs Computing kpt #: 106 total cpu time spent up to now is 11.5 secs Computing kpt #: 107 total cpu time spent up to now is 11.6 secs Computing kpt #: 108 total cpu time spent up to now is 11.7 secs Computing kpt #: 109 total cpu time spent up to now is 11.7 secs Computing kpt #: 110 total cpu time spent up to now is 11.8 secs Computing kpt #: 111 total cpu time spent up to now is 11.8 secs Computing kpt #: 112 total cpu time spent up to now is 11.9 secs Computing kpt #: 113 total cpu time spent up to now is 11.9 secs Computing kpt #: 114 total cpu time spent up to now is 12.0 secs Computing kpt #: 115 total cpu time spent up to now is 12.0 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.1 secs Computing kpt #: 118 total cpu time spent up to now is 12.2 secs Computing kpt #: 119 total cpu time spent up to now is 12.2 secs Computing kpt #: 120 total cpu time spent up to now is 12.3 secs Computing kpt #: 121 total cpu time spent up to now is 12.4 secs Computing kpt #: 122 total cpu time spent up to now is 12.4 secs Computing kpt #: 123 total cpu time spent up to now is 12.5 secs Computing kpt #: 124 total cpu time spent up to now is 12.5 secs Computing kpt #: 125 total cpu time spent up to now is 12.6 secs Computing kpt #: 126 total cpu time spent up to now is 12.7 secs Computing kpt #: 127 total cpu time spent up to now is 12.7 secs Computing kpt #: 128 total cpu time spent up to now is 12.8 secs Computing kpt #: 129 total cpu time spent up to now is 12.9 secs Computing kpt #: 130 total cpu time spent up to now is 12.9 secs Computing kpt #: 131 total cpu time spent up to now is 13.0 secs Computing kpt #: 132 total cpu time spent up to now is 13.1 secs Computing kpt #: 133 total cpu time spent up to now is 13.1 secs Computing kpt #: 134 total cpu time spent up to now is 13.2 secs Computing kpt #: 135 total cpu time spent up to now is 13.3 secs Computing kpt #: 136 total cpu time spent up to now is 13.3 secs Computing kpt #: 137 total cpu time spent up to now is 13.4 secs Computing kpt #: 138 total cpu time spent up to now is 13.5 secs Computing kpt #: 139 total cpu time spent up to now is 13.5 secs Computing kpt #: 140 total cpu time spent up to now is 13.6 secs Computing kpt #: 141 total cpu time spent up to now is 13.7 secs Computing kpt #: 142 total cpu time spent up to now is 13.7 secs Computing kpt #: 143 total cpu time spent up to now is 13.8 secs Computing kpt #: 144 total cpu time spent up to now is 13.9 secs Computing kpt #: 145 total cpu time spent up to now is 14.0 secs Computing kpt #: 146 total cpu time spent up to now is 14.0 secs Computing kpt #: 147 total cpu time spent up to now is 14.1 secs Computing kpt #: 148 total cpu time spent up to now is 14.2 secs Computing kpt #: 149 total cpu time spent up to now is 14.3 secs Computing kpt #: 150 total cpu time spent up to now is 14.4 secs Computing kpt #: 151 total cpu time spent up to now is 14.4 secs Computing kpt #: 152 total cpu time spent up to now is 14.5 secs Computing kpt #: 153 total cpu time spent up to now is 14.6 secs Computing kpt #: 154 total cpu time spent up to now is 14.7 secs Computing kpt #: 155 total cpu time spent up to now is 14.8 secs Computing kpt #: 156 total cpu time spent up to now is 14.9 secs Computing kpt #: 157 total cpu time spent up to now is 15.0 secs Computing kpt #: 158 total cpu time spent up to now is 15.2 secs Computing kpt #: 159 total cpu time spent up to now is 15.3 secs Computing kpt #: 160 total cpu time spent up to now is 15.3 secs Computing kpt #: 161 total cpu time spent up to now is 15.4 secs Computing kpt #: 162 total cpu time spent up to now is 15.5 secs Computing kpt #: 163 total cpu time spent up to now is 15.6 secs Computing kpt #: 164 total cpu time spent up to now is 15.7 secs Computing kpt #: 165 total cpu time spent up to now is 15.8 secs Computing kpt #: 166 total cpu time spent up to now is 15.9 secs Computing kpt #: 167 total cpu time spent up to now is 16.1 secs Computing kpt #: 168 total cpu time spent up to now is 16.2 secs Computing kpt #: 169 total cpu time spent up to now is 16.3 secs Computing kpt #: 170 total cpu time spent up to now is 16.4 secs Computing kpt #: 171 total cpu time spent up to now is 16.5 secs Computing kpt #: 172 total cpu time spent up to now is 16.6 secs Computing kpt #: 173 total cpu time spent up to now is 16.7 secs Computing kpt #: 174 total cpu time spent up to now is 16.8 secs Computing kpt #: 175 total cpu time spent up to now is 16.9 secs Computing kpt #: 176 total cpu time spent up to now is 17.1 secs Computing kpt #: 177 total cpu time spent up to now is 17.2 secs Computing kpt #: 178 total cpu time spent up to now is 17.4 secs Computing kpt #: 179 total cpu time spent up to now is 17.5 secs Computing kpt #: 180 total cpu time spent up to now is 17.6 secs Computing kpt #: 181 total cpu time spent up to now is 17.6 secs Computing kpt #: 182 total cpu time spent up to now is 17.8 secs Computing kpt #: 183 total cpu time spent up to now is 17.8 secs Computing kpt #: 184 total cpu time spent up to now is 17.9 secs Computing kpt #: 185 total cpu time spent up to now is 18.0 secs Computing kpt #: 186 total cpu time spent up to now is 18.1 secs Computing kpt #: 187 total cpu time spent up to now is 18.2 secs Computing kpt #: 188 total cpu time spent up to now is 18.2 secs Computing kpt #: 189 total cpu time spent up to now is 18.3 secs Computing kpt #: 190 total cpu time spent up to now is 18.4 secs Computing kpt #: 191 total cpu time spent up to now is 18.5 secs Computing kpt #: 192 total cpu time spent up to now is 18.6 secs Computing kpt #: 193 total cpu time spent up to now is 18.6 secs Computing kpt #: 194 total cpu time spent up to now is 18.7 secs Computing kpt #: 195 total cpu time spent up to now is 18.8 secs Computing kpt #: 196 total cpu time spent up to now is 18.8 secs Computing kpt #: 197 total cpu time spent up to now is 18.9 secs Computing kpt #: 198 total cpu time spent up to now is 19.0 secs Computing kpt #: 199 total cpu time spent up to now is 19.1 secs Computing kpt #: 200 total cpu time spent up to now is 19.1 secs Computing kpt #: 201 total cpu time spent up to now is 19.2 secs Computing kpt #: 202 total cpu time spent up to now is 19.3 secs Computing kpt #: 203 total cpu time spent up to now is 19.4 secs Computing kpt #: 204 total cpu time spent up to now is 19.5 secs Computing kpt #: 205 total cpu time spent up to now is 19.5 secs Computing kpt #: 206 total cpu time spent up to now is 19.7 secs Computing kpt #: 207 total cpu time spent up to now is 19.9 secs Computing kpt #: 208 total cpu time spent up to now is 20.0 secs Computing kpt #: 209 total cpu time spent up to now is 20.2 secs Computing kpt #: 210 total cpu time spent up to now is 20.4 secs Computing kpt #: 211 total cpu time spent up to now is 20.5 secs Computing kpt #: 212 total cpu time spent up to now is 20.7 secs Computing kpt #: 213 total cpu time spent up to now is 21.0 secs Computing kpt #: 214 total cpu time spent up to now is 21.1 secs Computing kpt #: 215 total cpu time spent up to now is 21.3 secs Computing kpt #: 216 total cpu time spent up to now is 21.5 secs Computing kpt #: 217 total cpu time spent up to now is 21.6 secs Computing kpt #: 218 total cpu time spent up to now is 21.8 secs Computing kpt #: 219 total cpu time spent up to now is 21.9 secs Computing kpt #: 220 total cpu time spent up to now is 22.0 secs Computing kpt #: 221 total cpu time spent up to now is 22.1 secs Computing kpt #: 222 total cpu time spent up to now is 22.2 secs Computing kpt #: 223 total cpu time spent up to now is 22.4 secs Computing kpt #: 224 total cpu time spent up to now is 22.6 secs Computing kpt #: 225 total cpu time spent up to now is 22.7 secs Computing kpt #: 226 total cpu time spent up to now is 22.8 secs Computing kpt #: 227 total cpu time spent up to now is 22.9 secs Computing kpt #: 228 total cpu time spent up to now is 23.1 secs Computing kpt #: 229 total cpu time spent up to now is 23.2 secs Computing kpt #: 230 total cpu time spent up to now is 23.3 secs Computing kpt #: 231 total cpu time spent up to now is 23.4 secs Computing kpt #: 232 total cpu time spent up to now is 23.5 secs Computing kpt #: 233 total cpu time spent up to now is 23.6 secs Computing kpt #: 234 total cpu time spent up to now is 23.6 secs Computing kpt #: 235 total cpu time spent up to now is 23.7 secs Computing kpt #: 236 total cpu time spent up to now is 23.8 secs Computing kpt #: 237 total cpu time spent up to now is 23.8 secs Computing kpt #: 238 total cpu time spent up to now is 23.9 secs Computing kpt #: 239 total cpu time spent up to now is 24.0 secs Computing kpt #: 240 total cpu time spent up to now is 24.1 secs Computing kpt #: 241 total cpu time spent up to now is 24.1 secs Computing kpt #: 242 total cpu time spent up to now is 24.2 secs Computing kpt #: 243 total cpu time spent up to now is 24.3 secs Computing kpt #: 244 total cpu time spent up to now is 24.4 secs Computing kpt #: 245 total cpu time spent up to now is 24.4 secs Computing kpt #: 246 total cpu time spent up to now is 24.5 secs Computing kpt #: 247 total cpu time spent up to now is 24.6 secs Computing kpt #: 248 total cpu time spent up to now is 24.6 secs Computing kpt #: 249 total cpu time spent up to now is 24.7 secs Computing kpt #: 250 total cpu time spent up to now is 24.8 secs Computing kpt #: 251 total cpu time spent up to now is 24.9 secs Computing kpt #: 252 total cpu time spent up to now is 24.9 secs Computing kpt #: 253 total cpu time spent up to now is 25.0 secs Computing kpt #: 254 total cpu time spent up to now is 25.1 secs Computing kpt #: 255 total cpu time spent up to now is 25.1 secs Computing kpt #: 256 total cpu time spent up to now is 25.2 secs Computing kpt #: 257 total cpu time spent up to now is 25.3 secs Computing kpt #: 258 total cpu time spent up to now is 25.3 secs Computing kpt #: 259 total cpu time spent up to now is 25.4 secs Computing kpt #: 260 total cpu time spent up to now is 25.5 secs Computing kpt #: 261 total cpu time spent up to now is 25.5 secs Computing kpt #: 262 total cpu time spent up to now is 25.6 secs Computing kpt #: 263 total cpu time spent up to now is 25.7 secs Computing kpt #: 264 total cpu time spent up to now is 25.8 secs Computing kpt #: 265 total cpu time spent up to now is 25.8 secs Computing kpt #: 266 total cpu time spent up to now is 25.9 secs Computing kpt #: 267 total cpu time spent up to now is 26.0 secs Computing kpt #: 268 total cpu time spent up to now is 26.0 secs Computing kpt #: 269 total cpu time spent up to now is 26.1 secs Computing kpt #: 270 total cpu time spent up to now is 26.2 secs Computing kpt #: 271 total cpu time spent up to now is 26.2 secs Computing kpt #: 272 total cpu time spent up to now is 26.3 secs Computing kpt #: 273 total cpu time spent up to now is 26.4 secs Computing kpt #: 274 total cpu time spent up to now is 26.4 secs Computing kpt #: 275 total cpu time spent up to now is 26.5 secs Computing kpt #: 276 total cpu time spent up to now is 26.6 secs Computing kpt #: 277 total cpu time spent up to now is 26.6 secs Computing kpt #: 278 total cpu time spent up to now is 26.7 secs Computing kpt #: 279 total cpu time spent up to now is 26.8 secs Computing kpt #: 280 total cpu time spent up to now is 26.8 secs Computing kpt #: 281 total cpu time spent up to now is 26.9 secs Computing kpt #: 282 total cpu time spent up to now is 27.0 secs Computing kpt #: 283 total cpu time spent up to now is 27.0 secs Computing kpt #: 284 total cpu time spent up to now is 27.1 secs Computing kpt #: 285 total cpu time spent up to now is 27.2 secs Computing kpt #: 286 total cpu time spent up to now is 27.2 secs Computing kpt #: 287 total cpu time spent up to now is 27.3 secs Computing kpt #: 288 total cpu time spent up to now is 27.4 secs Computing kpt #: 289 total cpu time spent up to now is 27.4 secs Computing kpt #: 290 total cpu time spent up to now is 27.5 secs Computing kpt #: 291 total cpu time spent up to now is 27.6 secs Computing kpt #: 292 total cpu time spent up to now is 27.6 secs Computing kpt #: 293 total cpu time spent up to now is 27.7 secs Computing kpt #: 294 total cpu time spent up to now is 27.8 secs Computing kpt #: 295 total cpu time spent up to now is 27.8 secs Computing kpt #: 296 total cpu time spent up to now is 27.9 secs Computing kpt #: 297 total cpu time spent up to now is 28.0 secs Computing kpt #: 298 total cpu time spent up to now is 28.1 secs Computing kpt #: 299 total cpu time spent up to now is 28.1 secs Computing kpt #: 300 total cpu time spent up to now is 28.2 secs Computing kpt #: 301 total cpu time spent up to now is 28.3 secs Computing kpt #: 302 total cpu time spent up to now is 28.3 secs Computing kpt #: 303 total cpu time spent up to now is 28.4 secs Computing kpt #: 304 total cpu time spent up to now is 28.5 secs Computing kpt #: 305 total cpu time spent up to now is 28.6 secs Computing kpt #: 306 total cpu time spent up to now is 28.6 secs Computing kpt #: 307 total cpu time spent up to now is 28.7 secs Computing kpt #: 308 total cpu time spent up to now is 28.8 secs Computing kpt #: 309 total cpu time spent up to now is 28.9 secs Computing kpt #: 310 total cpu time spent up to now is 28.9 secs Computing kpt #: 311 total cpu time spent up to now is 29.0 secs Computing kpt #: 312 total cpu time spent up to now is 29.1 secs Computing kpt #: 313 total cpu time spent up to now is 29.2 secs Computing kpt #: 314 total cpu time spent up to now is 29.3 secs Computing kpt #: 315 total cpu time spent up to now is 29.3 secs Computing kpt #: 316 total cpu time spent up to now is 29.4 secs Computing kpt #: 317 total cpu time spent up to now is 29.5 secs Computing kpt #: 318 total cpu time spent up to now is 29.6 secs Computing kpt #: 319 total cpu time spent up to now is 29.7 secs Computing kpt #: 320 total cpu time spent up to now is 29.8 secs Computing kpt #: 321 total cpu time spent up to now is 29.9 secs Computing kpt #: 322 total cpu time spent up to now is 29.9 secs Computing kpt #: 323 total cpu time spent up to now is 30.0 secs Computing kpt #: 324 total cpu time spent up to now is 30.1 secs Computing kpt #: 325 total cpu time spent up to now is 30.2 secs Computing kpt #: 326 total cpu time spent up to now is 30.3 secs Computing kpt #: 327 total cpu time spent up to now is 30.4 secs Computing kpt #: 328 total cpu time spent up to now is 30.5 secs Computing kpt #: 329 total cpu time spent up to now is 30.6 secs Computing kpt #: 330 total cpu time spent up to now is 30.7 secs Computing kpt #: 331 total cpu time spent up to now is 30.8 secs Computing kpt #: 332 total cpu time spent up to now is 30.9 secs Computing kpt #: 333 total cpu time spent up to now is 31.1 secs Computing kpt #: 334 total cpu time spent up to now is 31.2 secs Computing kpt #: 335 total cpu time spent up to now is 31.3 secs Computing kpt #: 336 total cpu time spent up to now is 31.4 secs Computing kpt #: 337 total cpu time spent up to now is 31.5 secs Computing kpt #: 338 total cpu time spent up to now is 31.6 secs Computing kpt #: 339 total cpu time spent up to now is 31.8 secs Computing kpt #: 340 total cpu time spent up to now is 31.9 secs Computing kpt #: 341 total cpu time spent up to now is 32.0 secs Computing kpt #: 342 total cpu time spent up to now is 32.1 secs Computing kpt #: 343 total cpu time spent up to now is 32.3 secs Computing kpt #: 344 total cpu time spent up to now is 32.4 secs Computing kpt #: 345 total cpu time spent up to now is 32.6 secs Computing kpt #: 346 total cpu time spent up to now is 32.7 secs Computing kpt #: 347 total cpu time spent up to now is 32.8 secs Computing kpt #: 348 total cpu time spent up to now is 32.9 secs Computing kpt #: 349 total cpu time spent up to now is 33.1 secs Computing kpt #: 350 total cpu time spent up to now is 33.2 secs Computing kpt #: 351 total cpu time spent up to now is 33.3 secs Computing kpt #: 352 total cpu time spent up to now is 33.4 secs Computing kpt #: 353 total cpu time spent up to now is 33.5 secs Computing kpt #: 354 total cpu time spent up to now is 33.6 secs Computing kpt #: 355 total cpu time spent up to now is 33.8 secs Computing kpt #: 356 total cpu time spent up to now is 33.9 secs Computing kpt #: 357 total cpu time spent up to now is 34.0 secs Computing kpt #: 358 total cpu time spent up to now is 34.1 secs Computing kpt #: 359 total cpu time spent up to now is 34.3 secs Computing kpt #: 360 total cpu time spent up to now is 34.4 secs Computing kpt #: 361 total cpu time spent up to now is 34.5 secs Computing kpt #: 362 total cpu time spent up to now is 34.6 secs Computing kpt #: 363 total cpu time spent up to now is 34.8 secs Computing kpt #: 364 total cpu time spent up to now is 34.9 secs Computing kpt #: 365 total cpu time spent up to now is 35.1 secs Computing kpt #: 366 total cpu time spent up to now is 35.2 secs Computing kpt #: 367 total cpu time spent up to now is 35.3 secs Computing kpt #: 368 total cpu time spent up to now is 35.5 secs Computing kpt #: 369 total cpu time spent up to now is 35.6 secs Computing kpt #: 370 total cpu time spent up to now is 35.7 secs Computing kpt #: 371 total cpu time spent up to now is 35.8 secs Computing kpt #: 372 total cpu time spent up to now is 36.0 secs Computing kpt #: 373 total cpu time spent up to now is 36.1 secs Computing kpt #: 374 total cpu time spent up to now is 36.1 secs Computing kpt #: 375 total cpu time spent up to now is 36.2 secs Computing kpt #: 376 total cpu time spent up to now is 36.3 secs Computing kpt #: 377 total cpu time spent up to now is 36.4 secs Computing kpt #: 378 total cpu time spent up to now is 36.5 secs Computing kpt #: 379 total cpu time spent up to now is 36.5 secs Computing kpt #: 380 total cpu time spent up to now is 36.6 secs Computing kpt #: 381 total cpu time spent up to now is 36.7 secs Computing kpt #: 382 total cpu time spent up to now is 36.8 secs Computing kpt #: 383 total cpu time spent up to now is 36.9 secs Computing kpt #: 384 total cpu time spent up to now is 36.9 secs Computing kpt #: 385 total cpu time spent up to now is 37.0 secs Computing kpt #: 386 total cpu time spent up to now is 37.1 secs Computing kpt #: 387 total cpu time spent up to now is 37.2 secs Computing kpt #: 388 total cpu time spent up to now is 37.3 secs Computing kpt #: 389 total cpu time spent up to now is 37.3 secs Computing kpt #: 390 total cpu time spent up to now is 37.4 secs Computing kpt #: 391 total cpu time spent up to now is 37.5 secs Computing kpt #: 392 total cpu time spent up to now is 37.6 secs Computing kpt #: 393 total cpu time spent up to now is 37.7 secs Computing kpt #: 394 total cpu time spent up to now is 37.8 secs Computing kpt #: 395 total cpu time spent up to now is 37.9 secs Computing kpt #: 396 total cpu time spent up to now is 38.0 secs Computing kpt #: 397 total cpu time spent up to now is 38.1 secs Computing kpt #: 398 total cpu time spent up to now is 38.2 secs Computing kpt #: 399 total cpu time spent up to now is 38.3 secs Computing kpt #: 400 total cpu time spent up to now is 38.4 secs Computing kpt #: 401 total cpu time spent up to now is 38.5 secs Computing kpt #: 402 total cpu time spent up to now is 38.6 secs Computing kpt #: 403 total cpu time spent up to now is 38.7 secs Computing kpt #: 404 total cpu time spent up to now is 38.8 secs Computing kpt #: 405 total cpu time spent up to now is 38.8 secs Computing kpt #: 406 total cpu time spent up to now is 38.9 secs Computing kpt #: 407 total cpu time spent up to now is 39.0 secs Computing kpt #: 408 total cpu time spent up to now is 39.1 secs Computing kpt #: 409 total cpu time spent up to now is 39.2 secs Computing kpt #: 410 total cpu time spent up to now is 39.2 secs Computing kpt #: 411 total cpu time spent up to now is 39.3 secs Computing kpt #: 412 total cpu time spent up to now is 39.4 secs Computing kpt #: 413 total cpu time spent up to now is 39.5 secs Computing kpt #: 414 total cpu time spent up to now is 39.5 secs Computing kpt #: 415 total cpu time spent up to now is 39.6 secs Computing kpt #: 416 total cpu time spent up to now is 39.7 secs Computing kpt #: 417 total cpu time spent up to now is 39.7 secs Computing kpt #: 418 total cpu time spent up to now is 39.8 secs Computing kpt #: 419 total cpu time spent up to now is 39.9 secs Computing kpt #: 420 total cpu time spent up to now is 40.0 secs Computing kpt #: 421 total cpu time spent up to now is 40.0 secs Computing kpt #: 422 total cpu time spent up to now is 40.1 secs Computing kpt #: 423 total cpu time spent up to now is 40.2 secs Computing kpt #: 424 total cpu time spent up to now is 40.2 secs Computing kpt #: 425 total cpu time spent up to now is 40.3 secs Computing kpt #: 426 total cpu time spent up to now is 40.4 secs Computing kpt #: 427 total cpu time spent up to now is 40.4 secs Computing kpt #: 428 total cpu time spent up to now is 40.5 secs Computing kpt #: 429 total cpu time spent up to now is 40.6 secs Computing kpt #: 430 total cpu time spent up to now is 40.6 secs Computing kpt #: 431 total cpu time spent up to now is 40.7 secs Computing kpt #: 432 total cpu time spent up to now is 40.8 secs Computing kpt #: 433 total cpu time spent up to now is 40.8 secs Computing kpt #: 434 total cpu time spent up to now is 40.9 secs Computing kpt #: 435 total cpu time spent up to now is 41.0 secs Computing kpt #: 436 total cpu time spent up to now is 41.0 secs Computing kpt #: 437 total cpu time spent up to now is 41.1 secs Computing kpt #: 438 total cpu time spent up to now is 41.2 secs Computing kpt #: 439 total cpu time spent up to now is 41.2 secs Computing kpt #: 440 total cpu time spent up to now is 41.3 secs Computing kpt #: 441 total cpu time spent up to now is 41.4 secs Computing kpt #: 442 total cpu time spent up to now is 41.4 secs Computing kpt #: 443 total cpu time spent up to now is 41.5 secs Computing kpt #: 444 total cpu time spent up to now is 41.6 secs Computing kpt #: 445 total cpu time spent up to now is 41.7 secs Computing kpt #: 446 total cpu time spent up to now is 41.7 secs Computing kpt #: 447 total cpu time spent up to now is 41.8 secs Computing kpt #: 448 total cpu time spent up to now is 41.8 secs Computing kpt #: 449 total cpu time spent up to now is 41.9 secs Computing kpt #: 450 total cpu time spent up to now is 42.0 secs Computing kpt #: 451 total cpu time spent up to now is 42.0 secs Computing kpt #: 452 total cpu time spent up to now is 42.1 secs Computing kpt #: 453 total cpu time spent up to now is 42.2 secs Computing kpt #: 454 total cpu time spent up to now is 42.2 secs Computing kpt #: 455 total cpu time spent up to now is 42.3 secs Computing kpt #: 456 total cpu time spent up to now is 42.3 secs Computing kpt #: 457 total cpu time spent up to now is 42.4 secs Computing kpt #: 458 total cpu time spent up to now is 42.5 secs Computing kpt #: 459 total cpu time spent up to now is 42.5 secs Computing kpt #: 460 total cpu time spent up to now is 42.6 secs Computing kpt #: 461 total cpu time spent up to now is 42.6 secs Computing kpt #: 462 total cpu time spent up to now is 42.7 secs Computing kpt #: 463 total cpu time spent up to now is 42.7 secs Computing kpt #: 464 total cpu time spent up to now is 42.8 secs Computing kpt #: 465 total cpu time spent up to now is 42.9 secs Computing kpt #: 466 total cpu time spent up to now is 43.0 secs Computing kpt #: 467 total cpu time spent up to now is 43.0 secs Computing kpt #: 468 total cpu time spent up to now is 43.2 secs Computing kpt #: 469 total cpu time spent up to now is 43.3 secs Computing kpt #: 470 total cpu time spent up to now is 43.4 secs Computing kpt #: 471 total cpu time spent up to now is 43.4 secs Computing kpt #: 472 total cpu time spent up to now is 43.6 secs Computing kpt #: 473 total cpu time spent up to now is 43.7 secs Computing kpt #: 474 total cpu time spent up to now is 43.8 secs Computing kpt #: 475 total cpu time spent up to now is 43.9 secs Computing kpt #: 476 total cpu time spent up to now is 44.0 secs Computing kpt #: 477 total cpu time spent up to now is 44.1 secs Computing kpt #: 478 total cpu time spent up to now is 44.2 secs Computing kpt #: 479 total cpu time spent up to now is 44.3 secs Computing kpt #: 480 total cpu time spent up to now is 44.4 secs Computing kpt #: 481 total cpu time spent up to now is 44.5 secs Computing kpt #: 482 total cpu time spent up to now is 44.6 secs Computing kpt #: 483 total cpu time spent up to now is 44.8 secs Computing kpt #: 484 total cpu time spent up to now is 44.9 secs Computing kpt #: 485 total cpu time spent up to now is 45.0 secs Computing kpt #: 486 total cpu time spent up to now is 45.1 secs Computing kpt #: 487 total cpu time spent up to now is 45.2 secs Computing kpt #: 488 total cpu time spent up to now is 45.4 secs Computing kpt #: 489 total cpu time spent up to now is 45.5 secs Computing kpt #: 490 total cpu time spent up to now is 45.6 secs Computing kpt #: 491 total cpu time spent up to now is 45.7 secs Computing kpt #: 492 total cpu time spent up to now is 45.8 secs Computing kpt #: 493 total cpu time spent up to now is 45.9 secs Computing kpt #: 494 total cpu time spent up to now is 46.0 secs Computing kpt #: 495 total cpu time spent up to now is 46.1 secs Computing kpt #: 496 total cpu time spent up to now is 46.2 secs Computing kpt #: 497 total cpu time spent up to now is 46.3 secs Computing kpt #: 498 total cpu time spent up to now is 46.5 secs Computing kpt #: 499 total cpu time spent up to now is 46.6 secs Computing kpt #: 500 total cpu time spent up to now is 46.7 secs Computing kpt #: 501 total cpu time spent up to now is 46.8 secs Computing kpt #: 502 total cpu time spent up to now is 46.9 secs Computing kpt #: 503 total cpu time spent up to now is 47.0 secs Computing kpt #: 504 total cpu time spent up to now is 47.1 secs Computing kpt #: 505 total cpu time spent up to now is 47.2 secs Computing kpt #: 506 total cpu time spent up to now is 47.3 secs Computing kpt #: 507 total cpu time spent up to now is 47.4 secs Computing kpt #: 508 total cpu time spent up to now is 47.5 secs Computing kpt #: 509 total cpu time spent up to now is 47.6 secs Computing kpt #: 510 total cpu time spent up to now is 47.7 secs Computing kpt #: 511 total cpu time spent up to now is 47.9 secs Computing kpt #: 512 total cpu time spent up to now is 48.0 secs Computing kpt #: 513 total cpu time spent up to now is 48.2 secs Computing kpt #: 514 total cpu time spent up to now is 48.3 secs Computing kpt #: 515 total cpu time spent up to now is 48.5 secs Computing kpt #: 516 total cpu time spent up to now is 48.6 secs Computing kpt #: 517 total cpu time spent up to now is 48.8 secs Computing kpt #: 518 total cpu time spent up to now is 48.9 secs Computing kpt #: 519 total cpu time spent up to now is 49.1 secs Computing kpt #: 520 total cpu time spent up to now is 49.2 secs ethr = 8.33E-08, avg # of iterations = 19.9 total cpu time spent up to now is 49.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 709 PWs) bands (ev): 2.8702 2.8702 4.1150 4.1150 4.1998 4.1998 6.0931 6.0931 6.1955 6.1955 6.8802 6.8802 22.6080 22.6080 23.9607 23.9607 28.6232 28.6232 30.0599 30.0599 k = 0.0000 0.0000 0.0100 ( 709 PWs) bands (ev): 2.8716 2.8716 4.1154 4.1154 4.2000 4.2000 6.0932 6.0932 6.1956 6.1956 6.8800 6.8800 22.6012 22.6012 23.9523 23.9523 28.6327 28.6327 30.0609 30.0609 k = 0.0000 0.0000 0.0200 ( 709 PWs) bands (ev): 2.8759 2.8759 4.1165 4.1165 4.2006 4.2006 6.0937 6.0937 6.1959 6.1959 6.8795 6.8795 22.5801 22.5801 23.9281 23.9281 28.6602 28.6602 30.0640 30.0640 k = 0.0000 0.0000 0.0299 ( 709 PWs) bands (ev): 2.8830 2.8830 4.1183 4.1183 4.2016 4.2016 6.0945 6.0945 6.1964 6.1964 6.8786 6.8786 22.5430 22.5430 23.8919 23.8919 28.7034 28.7034 30.0700 30.0700 k = 0.0000 0.0000 0.0399 ( 709 PWs) bands (ev): 2.8928 2.8928 4.1208 4.1208 4.2031 4.2031 6.0955 6.0955 6.1972 6.1972 6.8775 6.8775 22.4872 22.4872 23.8489 23.8489 28.7586 28.7586 30.0797 30.0797 k = 0.0000 0.0000 0.0499 ( 713 PWs) bands (ev): 2.9054 2.9054 4.1241 4.1241 4.2050 4.2050 6.0967 6.0967 6.1982 6.1982 6.8761 6.8761 22.4097 22.4097 23.8052 23.8052 28.8213 28.8213 30.0933 30.0933 k = 0.0000 0.0000 0.0599 ( 717 PWs) bands (ev): 2.9205 2.9205 4.1281 4.1281 4.2077 4.2077 6.0982 6.0982 6.1996 6.1996 6.8743 6.8743 22.3081 22.3081 23.7665 23.7665 28.8867 28.8867 30.1141 30.1141 k = 0.0000 0.0000 0.0699 ( 717 PWs) bands (ev): 2.9381 2.9381 4.1328 4.1328 4.2110 4.2110 6.0997 6.0997 6.2013 6.2013 6.8724 6.8724 22.1813 22.1813 23.7374 23.7374 28.9503 28.9503 30.1428 30.1428 k = 0.0000 0.0000 0.0799 ( 717 PWs) bands (ev): 2.9580 2.9580 4.1381 4.1381 4.2154 4.2154 6.1013 6.1013 6.2035 6.2035 6.8703 6.8703 22.0297 22.0297 23.7203 23.7203 29.0080 29.0080 30.1801 30.1801 k = 0.0000 0.0000 0.0898 ( 717 PWs) bands (ev): 2.9800 2.9800 4.1438 4.1438 4.2210 4.2210 6.1029 6.1029 6.2062 6.2062 6.8680 6.8680 21.8554 21.8554 23.7158 23.7158 29.0571 29.0571 30.2260 30.2260 k = 0.0000 0.0000 0.0998 ( 717 PWs) bands (ev): 3.0040 3.0040 4.1499 4.1499 4.2281 4.2281 6.1044 6.1044 6.2094 6.2094 6.8657 6.8657 21.6613 21.6613 23.7235 23.7235 29.0958 29.0958 30.2793 30.2793 k = 0.0000 0.0000 0.1098 ( 721 PWs) bands (ev): 3.0297 3.0297 4.1561 4.1561 4.2372 4.2372 6.1058 6.1058 6.2132 6.2132 6.8633 6.8633 21.4502 21.4502 23.7423 23.7423 29.1235 29.1235 30.3363 30.3363 k = 0.0000 0.0000 0.1198 ( 717 PWs) bands (ev): 3.0567 3.0567 4.1623 4.1623 4.2488 4.2488 6.1070 6.1070 6.2176 6.2176 6.8609 6.8609 21.2252 21.2252 23.7709 23.7709 29.1412 29.1412 30.3877 30.3877 k = 0.0000 0.0000 0.1298 ( 717 PWs) bands (ev): 3.0849 3.0849 4.1681 4.1681 4.2633 4.2633 6.1079 6.1079 6.2227 6.2227 6.8586 6.8586 20.9887 20.9887 23.8082 23.8082 29.1495 29.1495 30.4088 30.4088 k = 0.0000 0.0000 0.1398 ( 721 PWs) bands (ev): 3.1138 3.1138 4.1736 4.1736 4.2810 4.2810 6.1086 6.1086 6.2284 6.2284 6.8566 6.8566 20.7428 20.7428 23.8533 23.8533 29.1496 29.1496 30.3763 30.3763 k = 0.0000 0.0000 0.1497 ( 721 PWs) bands (ev): 3.1431 3.1431 4.1787 4.1787 4.3023 4.3023 6.1091 6.1091 6.2349 6.2349 6.8547 6.8547 20.4894 20.4894 23.9053 23.9053 29.1427 29.1427 30.3075 30.3075 k = 0.0000 0.0000 0.1597 ( 721 PWs) bands (ev): 3.1724 3.1724 4.1835 4.1835 4.3275 4.3275 6.1092 6.1092 6.2420 6.2420 6.8532 6.8532 20.2299 20.2299 23.9635 23.9635 29.1299 29.1299 30.2239 30.2239 k = 0.0000 0.0000 0.1697 ( 721 PWs) bands (ev): 3.2014 3.2014 4.1879 4.1879 4.3569 4.3569 6.1092 6.1092 6.2497 6.2497 6.8521 6.8521 19.9655 19.9655 24.0273 24.0273 29.1119 29.1119 30.1342 30.1342 k = 0.0000 0.0000 0.1797 ( 721 PWs) bands (ev): 3.2295 3.2295 4.1922 4.1922 4.3905 4.3905 6.1089 6.1089 6.2580 6.2580 6.8515 6.8515 19.6972 19.6972 24.0964 24.0964 29.0893 29.0893 30.0421 30.0421 k = 0.0000 0.0000 0.1897 ( 721 PWs) bands (ev): 3.2566 3.2566 4.1963 4.1963 4.4288 4.4288 6.1083 6.1083 6.2670 6.2670 6.8515 6.8515 19.4259 19.4259 24.1702 24.1702 29.0627 29.0627 29.9494 29.9494 k = 0.0000 0.0000 0.1997 ( 721 PWs) bands (ev): 3.2822 3.2822 4.2003 4.2003 4.4718 4.4718 6.1077 6.1077 6.2765 6.2765 6.8522 6.8522 19.1521 19.1521 24.2485 24.2485 29.0324 29.0324 29.8573 29.8573 k = 0.0000 0.0000 0.2096 ( 721 PWs) bands (ev): 3.3061 3.3061 4.2043 4.2043 4.5196 4.5196 6.1068 6.1068 6.2867 6.2867 6.8536 6.8536 18.8766 18.8766 24.3308 24.3308 28.9987 28.9987 29.7665 29.7665 k = 0.0000 0.0000 0.2196 ( 721 PWs) bands (ev): 3.3281 3.3281 4.2082 4.2082 4.5722 4.5722 6.1059 6.1059 6.2976 6.2976 6.8559 6.8559 18.5997 18.5997 24.4168 24.4168 28.9615 28.9615 29.6779 29.6779 k = 0.0000 0.0000 0.2296 ( 721 PWs) bands (ev): 3.3480 3.3480 4.2120 4.2120 4.6296 4.6296 6.1048 6.1048 6.3092 6.3092 6.8590 6.8590 18.3221 18.3221 24.5064 24.5064 28.9211 28.9211 29.5919 29.5919 k = 0.0000 0.0000 0.2396 ( 721 PWs) bands (ev): 3.3659 3.3659 4.2159 4.2159 4.6916 4.6916 6.1037 6.1037 6.3217 6.3217 6.8632 6.8632 18.0439 18.0439 24.5991 24.5991 28.8775 28.8775 29.5091 29.5091 k = 0.0000 0.0000 0.2496 ( 721 PWs) bands (ev): 3.3816 3.3816 4.2197 4.2197 4.7580 4.7580 6.1026 6.1026 6.3352 6.3352 6.8683 6.8683 17.7656 17.7656 24.6947 24.6947 28.8305 28.8305 29.4300 29.4300 k = 0.0000 0.0000 0.2595 ( 725 PWs) bands (ev): 3.3952 3.3952 4.2235 4.2235 4.8282 4.8282 6.1015 6.1015 6.3500 6.3500 6.8746 6.8746 17.4872 17.4872 24.7928 24.7928 28.7804 28.7804 29.3548 29.3548 k = 0.0000 0.0000 0.2695 ( 725 PWs) bands (ev): 3.4068 3.4068 4.2273 4.2273 4.9020 4.9020 6.1003 6.1003 6.3665 6.3665 6.8820 6.8820 17.2094 17.2094 24.8932 24.8932 28.7272 28.7272 29.2839 29.2839 k = 0.0000 0.0000 0.2795 ( 721 PWs) bands (ev): 3.4167 3.4167 4.2310 4.2310 4.9786 4.9786 6.0992 6.0992 6.3849 6.3849 6.8906 6.8906 16.9322 16.9322 24.9955 24.9955 28.6712 28.6712 29.2174 29.2174 k = 0.0000 0.0000 0.2895 ( 725 PWs) bands (ev): 3.4247 3.4247 4.2347 4.2347 5.0572 5.0572 6.0982 6.0982 6.4059 6.4059 6.9004 6.9004 16.6558 16.6558 25.0993 25.0993 28.6125 28.6125 29.1552 29.1552 k = 0.0000 0.0000 0.2995 ( 725 PWs) bands (ev): 3.4313 3.4313 4.2384 4.2384 5.1371 5.1371 6.0971 6.0971 6.4301 6.4301 6.9116 6.9116 16.3803 16.3803 25.2043 25.2043 28.5517 28.5517 29.0975 29.0975 k = 0.0000 0.0000 0.3095 ( 725 PWs) bands (ev): 3.4364 3.4364 4.2420 4.2420 5.2170 5.2170 6.0962 6.0962 6.4582 6.4582 6.9241 6.9241 16.1061 16.1061 25.3100 25.3100 28.4891 28.4891 29.0438 29.0438 k = 0.0000 0.0000 0.3194 ( 729 PWs) bands (ev): 3.4403 3.4403 4.2455 4.2455 5.2959 5.2959 6.0954 6.0954 6.4911 6.4911 6.9382 6.9382 15.8330 15.8330 25.4159 25.4159 28.4254 28.4254 28.9940 28.9940 k = 0.0000 0.0000 0.3294 ( 729 PWs) bands (ev): 3.4430 3.4430 4.2490 4.2490 5.3725 5.3725 6.0946 6.0946 6.5296 6.5296 6.9542 6.9542 15.5615 15.5615 25.5216 25.5216 28.3610 28.3610 28.9479 28.9479 k = 0.0000 0.0000 0.3394 ( 729 PWs) bands (ev): 3.4448 3.4448 4.2523 4.2523 5.4453 5.4453 6.0939 6.0939 6.5744 6.5744 6.9726 6.9726 15.2915 15.2915 25.6265 25.6265 28.2963 28.2963 28.9051 28.9051 k = 0.0000 0.0000 0.3494 ( 731 PWs) bands (ev): 3.4457 3.4457 4.2556 4.2556 5.5130 5.5130 6.0933 6.0933 6.6256 6.6256 6.9943 6.9943 15.0232 15.0232 25.7300 25.7300 28.2318 28.2318 28.8655 28.8655 k = 0.0000 0.0000 0.3594 ( 731 PWs) bands (ev): 3.4459 3.4459 4.2587 4.2587 5.5747 5.5747 6.0928 6.0928 6.6826 6.6826 7.0209 7.0209 14.7567 14.7567 25.8315 25.8315 28.1680 28.1680 28.8287 28.8288 k = 0.0000 0.0000 0.3694 ( 723 PWs) bands (ev): 3.4455 3.4455 4.2617 4.2617 5.6296 5.6296 6.0924 6.0924 6.7431 6.7431 7.0552 7.0552 14.4921 14.4921 25.9304 25.9304 28.1052 28.1052 28.7947 28.7947 k = 0.0000 0.0000 0.3793 ( 723 PWs) bands (ev): 3.4446 3.4446 4.2646 4.2646 5.6773 5.6773 6.0921 6.0921 6.8029 6.8029 7.1016 7.1016 14.2295 14.2295 26.0259 26.0259 28.0436 28.0436 28.7629 28.7629 k = 0.0000 0.0000 0.3893 ( 723 PWs) bands (ev): 3.4433 3.4433 4.2674 4.2674 5.7181 5.7181 6.0918 6.0918 6.8565 6.8565 7.1653 7.1653 13.9690 13.9690 26.1173 26.1173 27.9837 27.9837 28.7331 28.7331 k = 0.0000 0.0000 0.3993 ( 723 PWs) bands (ev): 3.4417 3.4417 4.2700 4.2700 5.7524 5.7524 6.0916 6.0916 6.9004 6.9004 7.2491 7.2491 13.7107 13.7107 26.2040 26.2040 27.9256 27.9256 28.7049 28.7049 k = 0.0000 0.0000 0.4093 ( 723 PWs) bands (ev): 3.4398 3.4398 4.2724 4.2724 5.7810 5.7810 6.0915 6.0915 6.9346 6.9346 7.3522 7.3522 13.4547 13.4547 26.2852 26.2852 27.8697 27.8697 28.6780 28.6780 k = 0.0000 0.0000 0.4193 ( 731 PWs) bands (ev): 3.4377 3.4377 4.2748 4.2748 5.8045 5.8045 6.0914 6.0914 6.9616 6.9616 7.4712 7.4712 13.2011 13.2011 26.3605 26.3605 27.8162 27.8162 28.6521 28.6521 k = 0.0000 0.0000 0.4292 ( 727 PWs) bands (ev): 3.4356 3.4356 4.2769 4.2769 5.8238 5.8238 6.0913 6.0913 6.9836 6.9836 7.6032 7.6032 12.9499 12.9499 26.4294 26.4294 27.7654 27.7654 28.6269 28.6269 k = 0.0000 0.0000 0.4392 ( 727 PWs) bands (ev): 3.4334 3.4334 4.2789 4.2789 5.8396 5.8396 6.0912 6.0912 7.0021 7.0021 7.7456 7.7456 12.7013 12.7013 26.4915 26.4915 27.7175 27.7175 28.6023 28.6023 k = 0.0000 0.0000 0.4492 ( 727 PWs) bands (ev): 3.4311 3.4311 4.2808 4.2808 5.8524 5.8524 6.0912 6.0912 7.0181 7.0181 7.8967 7.8967 12.4553 12.4553 26.5468 26.5468 27.6728 27.6728 28.5785 28.5785 k = 0.0000 0.0000 0.4592 ( 727 PWs) bands (ev): 3.4289 3.4289 4.2825 4.2825 5.8628 5.8628 6.0911 6.0911 7.0320 7.0320 8.0555 8.0555 12.2120 12.2120 26.5952 26.5952 27.6313 27.6313 28.5554 28.5554 k = 0.0000 0.0000 0.4692 ( 727 PWs) bands (ev): 3.4268 3.4268 4.2840 4.2840 5.8713 5.8713 6.0911 6.0911 7.0444 7.0444 8.2210 8.2210 11.9715 11.9715 26.6370 26.6370 27.5934 27.5934 28.5334 28.5334 k = 0.0000 0.0000 0.4792 ( 723 PWs) bands (ev): 3.4249 3.4249 4.2854 4.2854 5.8781 5.8781 6.0911 6.0911 7.0552 7.0552 8.3926 8.3926 11.7338 11.7338 26.6724 26.6724 27.5592 27.5592 28.5129 28.5129 k = 0.0000 0.0000 0.4891 ( 724 PWs) bands (ev): 3.4230 3.4230 4.2866 4.2866 5.8835 5.8835 6.0911 6.0911 7.0647 7.0647 8.5696 8.5696 11.4992 11.4992 26.7020 26.7020 27.5287 27.5288 28.4940 28.4940 k = 0.0000 0.0000 0.4991 ( 724 PWs) bands (ev): 3.4214 3.4214 4.2876 4.2876 5.8879 5.8879 6.0911 6.0911 7.0728 7.0728 8.7518 8.7518 11.2676 11.2676 26.7261 26.7261 27.5023 27.5023 28.4770 28.4770 k = 0.0000 0.0000 0.5091 ( 720 PWs) bands (ev): 3.4200 3.4200 4.2885 4.2885 5.8913 5.8913 6.0911 6.0911 7.0797 7.0797 8.9387 8.9387 11.0392 11.0392 26.7454 26.7454 27.4798 27.4798 28.4623 28.4623 k = 0.0000 0.0000 0.5191 ( 714 PWs) bands (ev): 3.4188 3.4188 4.2893 4.2893 5.8939 5.8939 6.0911 6.0911 7.0854 7.0854 9.1300 9.1300 10.8143 10.8143 26.7603 26.7603 27.4614 27.4614 28.4500 28.4500 k = 0.0000 0.0000 0.5291 ( 714 PWs) bands (ev): 3.4178 3.4178 4.2898 4.2898 5.8958 5.8958 6.0911 6.0911 7.0897 7.0897 9.3251 9.3251 10.5930 10.5930 26.7713 26.7713 27.4471 27.4471 28.4403 28.4403 k = 0.0000 0.0000 0.5391 ( 708 PWs) bands (ev): 3.4172 3.4172 4.2902 4.2902 5.8972 5.8972 6.0911 6.0911 7.0929 7.0929 9.5234 9.5234 10.3762 10.3762 26.7789 26.7789 27.4368 27.4368 28.4333 28.4333 k = 0.0000 0.0000 0.5490 ( 708 PWs) bands (ev): 3.4168 3.4168 4.2905 4.2905 5.8979 5.8979 6.0911 6.0911 7.0948 7.0948 9.7217 9.7217 10.1668 10.1668 26.7833 26.7833 27.4307 27.4307 28.4290 28.4290 k = 0.0000 0.0000 0.5590 ( 708 PWs) bands (ev): 3.4166 3.4166 4.2906 4.2906 5.8982 5.8982 6.0911 6.0911 7.0954 7.0954 9.8688 9.8688 10.0160 10.0160 26.7848 26.7848 27.4286 27.4286 28.4276 28.4276 k = 0.0000 0.0000 0.5590 ( 708 PWs) bands (ev): 3.4166 3.4166 4.2906 4.2906 5.8982 5.8982 6.0911 6.0911 7.0954 7.0954 9.8688 9.8688 10.0160 10.0160 26.7848 26.7848 27.4286 27.4286 28.4276 28.4276 k =-0.0089 0.0045 0.5590 ( 708 PWs) bands (ev): 3.4171 3.4171 4.2909 4.2909 5.8974 5.8974 6.0915 6.0915 7.0950 7.0950 9.8693 9.8693 10.0191 10.0191 26.7765 26.7765 27.4259 27.4259 28.4153 28.4153 k =-0.0179 0.0089 0.5590 ( 708 PWs) bands (ev): 3.4184 3.4184 4.2921 4.2921 5.8949 5.8949 6.0929 6.0929 7.0940 7.0940 9.8705 9.8705 10.0284 10.0284 26.7513 26.7513 27.4180 27.4180 28.3790 28.3790 k =-0.0268 0.0134 0.5590 ( 716 PWs) bands (ev): 3.4205 3.4205 4.2941 4.2941 5.8908 5.8908 6.0951 6.0951 7.0923 7.0923 9.8727 9.8727 10.0438 10.0438 26.7083 26.7083 27.4056 27.4056 28.3203 28.3203 k =-0.0357 0.0179 0.5590 ( 720 PWs) bands (ev): 3.4234 3.4234 4.2968 4.2968 5.8851 5.8851 6.0983 6.0983 7.0900 7.0900 9.8759 9.8759 10.0652 10.0652 26.6467 26.6467 27.3893 27.3893 28.2417 28.2417 k =-0.0446 0.0223 0.5590 ( 726 PWs) bands (ev): 3.4271 3.4271 4.3004 4.3004 5.8781 5.8781 6.1024 6.1024 7.0872 7.0872 9.8800 9.8800 10.0924 10.0924 26.5656 26.5656 27.3691 27.3691 28.1463 28.1463 k =-0.0536 0.0268 0.5590 ( 726 PWs) bands (ev): 3.4314 3.4314 4.3047 4.3047 5.8698 5.8698 6.1074 6.1074 7.0839 7.0839 9.8852 9.8852 10.1251 10.1251 26.4647 26.4647 27.3440 27.3440 28.0380 28.0380 k =-0.0625 0.0313 0.5590 ( 726 PWs) bands (ev): 3.4363 3.4363 4.3097 4.3097 5.8603 5.8603 6.1132 6.1132 7.0803 7.0803 9.8916 9.8916 10.1632 10.1632 26.3442 26.3442 27.3108 27.3108 27.9216 27.9216 k =-0.0714 0.0357 0.5590 ( 730 PWs) bands (ev): 3.4416 3.4416 4.3155 4.3155 5.8499 5.8499 6.1199 6.1199 7.0765 7.0765 9.8991 9.8991 10.2065 10.2065 26.2049 26.2049 27.2641 27.2641 27.8035 27.8035 k =-0.0804 0.0402 0.5590 ( 730 PWs) bands (ev): 3.4474 3.4474 4.3219 4.3219 5.8389 5.8389 6.1274 6.1274 7.0725 7.0725 9.9078 9.9078 10.2547 10.2547 26.0476 26.0476 27.1960 27.1960 27.6913 27.6913 k =-0.0893 0.0446 0.5590 ( 722 PWs) bands (ev): 3.4533 3.4533 4.3289 4.3289 5.8274 5.8274 6.1358 6.1358 7.0686 7.0686 9.9177 9.9177 10.3075 10.3075 25.8737 25.8737 27.0990 27.0990 27.5916 27.5916 k =-0.0982 0.0491 0.5590 ( 722 PWs) bands (ev): 3.4594 3.4594 4.3365 4.3365 5.8158 5.8158 6.1450 6.1450 7.0647 7.0647 9.9289 9.9289 10.3648 10.3648 25.6841 25.6841 26.9713 26.9713 27.5043 27.5043 k =-0.1071 0.0536 0.5590 ( 722 PWs) bands (ev): 3.4655 3.4655 4.3446 4.3446 5.8043 5.8043 6.1549 6.1549 7.0611 7.0611 9.9413 9.9413 10.4263 10.4263 25.4801 25.4801 26.8180 26.8180 27.4224 27.4224 k =-0.1161 0.0580 0.5590 ( 724 PWs) bands (ev): 3.4714 3.4714 4.3529 4.3529 5.7934 5.7934 6.1656 6.1656 7.0577 7.0577 9.9552 9.9552 10.4918 10.4918 25.2628 25.2628 26.6465 26.6465 27.3371 27.3371 k =-0.1250 0.0625 0.5590 ( 724 PWs) bands (ev): 3.4771 3.4771 4.3613 4.3613 5.7832 5.7832 6.1769 6.1769 7.0548 7.0548 9.9705 9.9705 10.5609 10.5609 25.0337 25.0337 26.4628 26.4628 27.2428 27.2428 k =-0.1339 0.0670 0.5590 ( 724 PWs) bands (ev): 3.4825 3.4825 4.3698 4.3698 5.7743 5.7743 6.1890 6.1890 7.0524 7.0524 9.9873 9.9873 10.6335 10.6335 24.7937 24.7937 26.2712 26.2712 27.1376 27.1376 k =-0.1429 0.0714 0.5590 ( 724 PWs) bands (ev): 3.4875 3.4875 4.3780 4.3780 5.7669 5.7669 6.2016 6.2016 7.0506 7.0506 10.0057 10.0057 10.7093 10.7093 24.5440 24.5440 26.0746 26.0746 27.0223 27.0223 k =-0.1518 0.0759 0.5590 ( 724 PWs) bands (ev): 3.4919 3.4919 4.3857 4.3857 5.7614 5.7614 6.2147 6.2147 7.0494 7.0494 10.0258 10.0258 10.7881 10.7881 24.2859 24.2859 25.8751 25.8751 26.8991 26.8991 k =-0.1607 0.0804 0.5590 ( 732 PWs) bands (ev): 3.4958 3.4958 4.3928 4.3928 5.7581 5.7581 6.2284 6.2284 7.0490 7.0490 10.0477 10.0477 10.8697 10.8697 24.0202 24.0202 25.6740 25.6740 26.7703 26.7703 k =-0.1696 0.0848 0.5590 ( 732 PWs) bands (ev): 3.4991 3.4991 4.3988 4.3988 5.7574 5.7574 6.2425 6.2425 7.0494 7.0494 10.0714 10.0714 10.9539 10.9539 23.7482 23.7482 25.4728 25.4728 26.6380 26.6380 k =-0.1786 0.0893 0.5590 ( 728 PWs) bands (ev): 3.5016 3.5016 4.4037 4.4037 5.7596 5.7596 6.2569 6.2569 7.0507 7.0507 10.0972 10.0972 11.0403 11.0403 23.4709 23.4709 25.2720 25.2720 26.5039 26.5039 k =-0.1875 0.0938 0.5590 ( 728 PWs) bands (ev): 3.5035 3.5035 4.4071 4.4071 5.7649 5.7649 6.2715 6.2715 7.0529 7.0529 10.1250 10.1250 11.1290 11.1290 23.1890 23.1890 25.0724 25.0724 26.3690 26.3690 k =-0.1964 0.0982 0.5590 ( 726 PWs) bands (ev): 3.5047 3.5047 4.4090 4.4090 5.7735 5.7735 6.2863 6.2863 7.0562 7.0562 10.1552 10.1552 11.2195 11.2195 22.9036 22.9036 24.8742 24.8742 26.2342 26.2342 k =-0.2054 0.1027 0.5590 ( 726 PWs) bands (ev): 3.5052 3.5052 4.4091 4.4091 5.7854 5.7854 6.3013 6.3013 7.0607 7.0607 10.1877 10.1877 11.3118 11.3118 22.6152 22.6152 24.6778 24.6778 26.1002 26.1002 k =-0.2143 0.1071 0.5590 ( 726 PWs) bands (ev): 3.5051 3.5051 4.4073 4.4073 5.8008 5.8008 6.3162 6.3162 7.0663 7.0663 10.2228 10.2228 11.4056 11.4056 22.3248 22.3248 24.4836 24.4836 25.9673 25.9673 k =-0.2232 0.1116 0.5590 ( 726 PWs) bands (ev): 3.5042 3.5042 4.4037 4.4037 5.8194 5.8194 6.3310 6.3310 7.0731 7.0731 10.2606 10.2606 11.5008 11.5008 22.0328 22.0328 24.2918 24.2918 25.8361 25.8361 k =-0.2321 0.1161 0.5590 ( 726 PWs) bands (ev): 3.5028 3.5028 4.3983 4.3983 5.8412 5.8412 6.3456 6.3456 7.0812 7.0812 10.3013 10.3013 11.5971 11.5971 21.7398 21.7398 24.1024 24.1024 25.7068 25.7068 k =-0.2411 0.1205 0.5590 ( 726 PWs) bands (ev): 3.5007 3.5007 4.3910 4.3910 5.8660 5.8660 6.3599 6.3599 7.0907 7.0907 10.3450 10.3450 11.6944 11.6944 21.4464 21.4464 23.9158 23.9158 25.5797 25.5797 k =-0.2500 0.1250 0.5590 ( 722 PWs) bands (ev): 3.4982 3.4982 4.3821 4.3821 5.8934 5.8934 6.3739 6.3739 7.1015 7.1015 10.3921 10.3921 11.7925 11.7925 21.1530 21.1530 23.7324 23.7324 25.4550 25.4550 k =-0.2589 0.1295 0.5590 ( 734 PWs) bands (ev): 3.4951 3.4951 4.3717 4.3717 5.9233 5.9233 6.3874 6.3874 7.1137 7.1137 10.4425 10.4425 11.8911 11.8911 20.8600 20.8600 23.5513 23.5513 25.3328 25.3328 k =-0.2679 0.1339 0.5590 ( 734 PWs) bands (ev): 3.4916 3.4916 4.3599 4.3599 5.9551 5.9551 6.4004 6.4004 7.1272 7.1272 10.4967 10.4967 11.9902 11.9902 20.5678 20.5678 23.3737 23.3737 25.2135 25.2135 k =-0.2768 0.1384 0.5590 ( 734 PWs) bands (ev): 3.4877 3.4877 4.3470 4.3470 5.9885 5.9885 6.4129 6.4129 7.1422 7.1422 10.5547 10.5547 12.0893 12.0893 20.2767 20.2767 23.1994 23.1994 25.0972 25.0972 k =-0.2857 0.1429 0.5590 ( 732 PWs) bands (ev): 3.4834 3.4834 4.3331 4.3331 6.0232 6.0232 6.4248 6.4248 7.1584 7.1584 10.6167 10.6167 12.1885 12.1885 19.9871 19.9871 23.0288 23.0288 24.9840 24.9840 k =-0.2946 0.1473 0.5590 ( 732 PWs) bands (ev): 3.4789 3.4789 4.3185 4.3185 6.0587 6.0587 6.4360 6.4360 7.1758 7.1758 10.6830 10.6830 12.2873 12.2873 19.6992 19.6992 22.8617 22.8617 24.8741 24.8741 k =-0.3036 0.1518 0.5590 ( 732 PWs) bands (ev): 3.4741 3.4741 4.3032 4.3032 6.0946 6.0946 6.4467 6.4467 7.1943 7.1943 10.7538 10.7538 12.3857 12.3857 19.4133 19.4133 22.6984 22.6984 24.7677 24.7677 k =-0.3125 0.1563 0.5590 ( 732 PWs) bands (ev): 3.4692 3.4692 4.2876 4.2876 6.1305 6.1305 6.4568 6.4568 7.2138 7.2138 10.8293 10.8293 12.4833 12.4833 19.1296 19.1296 22.5391 22.5391 24.6648 24.6648 k =-0.3214 0.1607 0.5590 ( 732 PWs) bands (ev): 3.4641 3.4641 4.2718 4.2718 6.1661 6.1661 6.4664 6.4664 7.2342 7.2342 10.9095 10.9095 12.5799 12.5799 18.8484 18.8484 22.3840 22.3840 24.5656 24.5656 k =-0.3304 0.1652 0.5590 ( 736 PWs) bands (ev): 3.4589 3.4589 4.2558 4.2558 6.2010 6.2010 6.4756 6.4756 7.2552 7.2552 10.9948 10.9948 12.6753 12.6753 18.5699 18.5699 22.2333 22.2333 24.4703 24.4703 k =-0.3393 0.1696 0.5590 ( 734 PWs) bands (ev): 3.4538 3.4538 4.2400 4.2400 6.2348 6.2348 6.4843 6.4843 7.2768 7.2768 11.0851 11.0851 12.7691 12.7691 18.2943 18.2943 22.0877 22.0877 24.3790 24.3790 k =-0.3482 0.1741 0.5590 ( 734 PWs) bands (ev): 3.4486 3.4486 4.2244 4.2244 6.2672 6.2672 6.4929 6.4929 7.2986 7.2986 11.1807 11.1807 12.8612 12.8612 18.0219 18.0219 21.9467 21.9467 24.2919 24.2919 k =-0.3571 0.1786 0.5590 ( 734 PWs) bands (ev): 3.4434 3.4434 4.2091 4.2091 6.2979 6.2979 6.5013 6.5013 7.3205 7.3205 11.2816 11.2816 12.9510 12.9510 17.7528 17.7528 21.8111 21.8111 24.2089 24.2089 k =-0.3661 0.1830 0.5590 ( 732 PWs) bands (ev): 3.4384 3.4384 4.1943 4.1943 6.3266 6.3266 6.5098 6.5098 7.3422 7.3422 11.3878 11.3878 13.0385 13.0385 17.4873 17.4873 21.6810 21.6810 24.1304 24.1304 k =-0.3750 0.1875 0.5590 ( 732 PWs) bands (ev): 3.4335 3.4335 4.1800 4.1800 6.3528 6.3528 6.5187 6.5187 7.3636 7.3636 11.4994 11.4994 13.1231 13.1231 17.2256 17.2256 21.5567 21.5567 24.0563 24.0563 k =-0.3839 0.1920 0.5590 ( 732 PWs) bands (ev): 3.4288 3.4288 4.1664 4.1664 6.3763 6.3763 6.5280 6.5280 7.3845 7.3845 11.6163 11.6163 13.2047 13.2047 16.9680 16.9680 21.4386 21.4386 23.9868 23.9868 k =-0.3929 0.1964 0.5590 ( 732 PWs) bands (ev): 3.4243 3.4243 4.1535 4.1535 6.3970 6.3970 6.5379 6.5379 7.4046 7.4046 11.7382 11.7382 13.2828 13.2828 16.7148 16.7148 21.3271 21.3271 23.9220 23.9220 k =-0.4018 0.2009 0.5590 ( 740 PWs) bands (ev): 3.4200 3.4200 4.1414 4.1414 6.4145 6.4145 6.5486 6.5486 7.4237 7.4237 11.8651 11.8651 13.3571 13.3571 16.4663 16.4663 21.2220 21.2220 23.8620 23.8620 k =-0.4107 0.2054 0.5590 ( 740 PWs) bands (ev): 3.4160 3.4160 4.1301 4.1301 6.4291 6.4291 6.5598 6.5598 7.4418 7.4418 11.9966 11.9966 13.4274 13.4274 16.2228 16.2228 21.1247 21.1247 23.8069 23.8069 k =-0.4196 0.2098 0.5590 ( 740 PWs) bands (ev): 3.4123 3.4123 4.1198 4.1198 6.4410 6.4410 6.5714 6.5714 7.4586 7.4586 12.1321 12.1321 13.4934 13.4934 15.9850 15.9850 21.0351 21.0351 23.7568 23.7568 k =-0.4286 0.2143 0.5590 ( 744 PWs) bands (ev): 3.4089 3.4089 4.1104 4.1104 6.4504 6.4504 6.5830 6.5830 7.4739 7.4739 12.2709 12.2709 13.5548 13.5548 15.7533 15.7533 20.9536 20.9536 23.7117 23.7117 k =-0.4375 0.2188 0.5590 ( 744 PWs) bands (ev): 3.4059 3.4059 4.1020 4.1020 6.4579 6.4579 6.5941 6.5941 7.4878 7.4878 12.4120 12.4120 13.6117 13.6117 15.5287 15.5287 20.8805 20.8805 23.6717 23.6717 k =-0.4464 0.2232 0.5590 ( 748 PWs) bands (ev): 3.4032 3.4032 4.0947 4.0947 6.4636 6.4636 6.6044 6.6044 7.5000 7.5000 12.5535 12.5535 13.6641 13.6641 15.3124 15.3124 20.8161 20.8161 23.6369 23.6370 k =-0.4554 0.2277 0.5590 ( 750 PWs) bands (ev): 3.4009 3.4009 4.0885 4.0885 6.4681 6.4681 6.6135 6.6135 7.5104 7.5104 12.6931 12.6931 13.7126 13.7126 15.1061 15.1061 20.7611 20.7611 23.6074 23.6074 k =-0.4643 0.2322 0.5590 ( 750 PWs) bands (ev): 3.3990 3.3990 4.0833 4.0833 6.4715 6.4715 6.6213 6.6213 7.5191 7.5191 12.8266 12.8266 13.7579 13.7579 14.9127 14.9127 20.7156 20.7156 23.5832 23.5832 k =-0.4732 0.2366 0.5590 ( 750 PWs) bands (ev): 3.3975 3.3975 4.0793 4.0793 6.4739 6.4739 6.6275 6.6275 7.5259 7.5259 12.9480 12.9480 13.8012 13.8012 14.7371 14.7371 20.6800 20.6800 23.5644 23.5644 k =-0.4821 0.2411 0.5590 ( 750 PWs) bands (ev): 3.3965 3.3965 4.0764 4.0764 6.4756 6.4756 6.6320 6.6320 7.5308 7.5308 13.0480 13.0480 13.8426 13.8426 14.5880 14.5880 20.6543 20.6543 23.5508 23.5508 k =-0.4911 0.2455 0.5590 ( 750 PWs) bands (ev): 3.3958 3.3958 4.0747 4.0747 6.4766 6.4766 6.6348 6.6348 7.5337 7.5337 13.1152 13.1152 13.8776 13.8776 14.4812 14.4812 20.6389 20.6389 23.5427 23.5427 k =-0.5000 0.2500 0.5590 ( 750 PWs) bands (ev): 3.3956 3.3956 4.0741 4.0741 6.4769 6.4769 6.6357 6.6357 7.5347 7.5347 13.1391 13.1391 13.8927 13.8927 14.4407 14.4407 20.6337 20.6337 23.5400 23.5400 k =-0.5000 0.2500 0.5590 ( 750 PWs) bands (ev): 3.3956 3.3956 4.0741 4.0741 6.4769 6.4769 6.6357 6.6357 7.5347 7.5347 13.1391 13.1391 13.8927 13.8927 14.4407 14.4407 20.6337 20.6337 23.5400 23.5400 k =-0.4937 0.2468 0.5519 ( 750 PWs) bands (ev): 3.3958 3.3958 4.0747 4.0747 6.4766 6.4766 6.6348 6.6348 7.5337 7.5337 13.1146 13.1146 13.8789 13.8789 14.4805 14.4805 20.6389 20.6389 23.5427 23.5427 k =-0.4873 0.2437 0.5449 ( 750 PWs) bands (ev): 3.3965 3.3965 4.0764 4.0764 6.4756 6.4756 6.6320 6.6320 7.5308 7.5308 13.0430 13.0430 13.8530 13.8530 14.5825 14.5825 20.6545 20.6545 23.5509 23.5509 k =-0.4810 0.2405 0.5378 ( 750 PWs) bands (ev): 3.3975 3.3975 4.0793 4.0793 6.4739 6.4739 6.6275 6.6275 7.5259 7.5259 12.9310 12.9310 13.8356 13.8356 14.7193 14.7193 20.6807 20.6807 23.5645 23.5645 k =-0.4747 0.2374 0.5307 ( 750 PWs) bands (ev): 3.3991 3.3991 4.0834 4.0834 6.4716 6.4716 6.6211 6.6211 7.5191 7.5191 12.7885 12.7885 13.8340 13.8340 14.8734 14.8734 20.7174 20.7174 23.5835 23.5835 k =-0.4684 0.2342 0.5236 ( 750 PWs) bands (ev): 3.4010 3.4010 4.0885 4.0885 6.4685 6.4685 6.6129 6.6129 7.5105 7.5105 12.6252 12.6252 13.8476 13.8476 15.0358 15.0358 20.7649 20.7649 23.6080 23.6080 k =-0.4620 0.2310 0.5166 ( 750 PWs) bands (ev): 3.4033 3.4033 4.0947 4.0947 6.4648 6.4648 6.6031 6.6031 7.5003 7.5003 12.4482 12.4482 13.8739 13.8739 15.2013 15.2013 20.8233 20.8233 23.6379 23.6379 k =-0.4557 0.2279 0.5095 ( 746 PWs) bands (ev): 3.4061 3.4061 4.1020 4.1020 6.4605 6.4605 6.5915 6.5915 7.4884 7.4884 12.2624 12.2624 13.9107 13.9107 15.3670 15.3670 20.8931 20.8931 23.6732 23.6732 k =-0.4494 0.2247 0.5024 ( 744 PWs) bands (ev): 3.4093 3.4093 4.1103 4.1103 6.4554 6.4554 6.5783 6.5783 7.4751 7.4751 12.0709 12.0709 13.9567 13.9567 15.5308 15.5308 20.9740 20.9740 23.7138 23.7138 k =-0.4430 0.2215 0.4953 ( 738 PWs) bands (ev): 3.4128 3.4128 4.1196 4.1196 6.4497 6.4497 6.5635 6.5635 7.4605 7.4605 11.8759 11.8759 14.0108 14.0108 15.6914 15.6914 21.0663 21.0663 23.7599 23.7599 k =-0.4367 0.2184 0.4883 ( 738 PWs) bands (ev): 3.4168 3.4168 4.1298 4.1298 6.4432 6.4432 6.5472 6.5472 7.4446 7.4446 11.6787 11.6787 14.0723 14.0723 15.8479 15.8479 21.1702 21.1702 23.8113 23.8113 k =-0.4304 0.2152 0.4812 ( 738 PWs) bands (ev): 3.4211 3.4211 4.1409 4.1409 6.4359 6.4359 6.5296 6.5296 7.4278 7.4278 11.4803 11.4803 14.1406 14.1406 15.9994 15.9994 21.2857 21.2857 23.8681 23.8681 k =-0.4241 0.2120 0.4741 ( 734 PWs) bands (ev): 3.4258 3.4258 4.1528 4.1528 6.4277 6.4277 6.5109 6.5109 7.4100 7.4100 11.2816 11.2816 14.2153 14.2153 16.1456 16.1456 21.4131 21.4131 23.9302 23.9302 k =-0.4177 0.2089 0.4670 ( 734 PWs) bands (ev): 3.4308 3.4308 4.1654 4.1654 6.4185 6.4185 6.4912 6.4912 7.3915 7.3915 11.0830 11.0830 14.2960 14.2960 16.2861 16.2861 21.5518 21.5518 23.9977 23.9977 k =-0.4114 0.2057 0.4600 ( 734 PWs) bands (ev): 3.4361 3.4361 4.1787 4.1787 6.4080 6.4080 6.4711 6.4711 7.3723 7.3723 10.8851 10.8851 14.3825 14.3825 16.4208 16.4208 21.7018 21.7018 24.0705 24.0705 k =-0.4051 0.2025 0.4529 ( 736 PWs) bands (ev): 3.4417 3.4417 4.1926 4.1926 6.3956 6.3956 6.4511 6.4511 7.3525 7.3525 10.6883 10.6883 14.4744 14.4744 16.5496 16.5496 21.8628 21.8628 24.1487 24.1487 k =-0.3987 0.1994 0.4458 ( 736 PWs) bands (ev): 3.4476 3.4476 4.2070 4.2070 6.3807 6.3807 6.4320 6.4320 7.3324 7.3324 10.4928 10.4928 14.5715 14.5715 16.6727 16.6727 22.0347 22.0347 24.2323 24.2323 k =-0.3924 0.1962 0.4387 ( 738 PWs) bands (ev): 3.4538 3.4538 4.2217 4.2217 6.3626 6.3626 6.4147 6.4147 7.3119 7.3119 10.2990 10.2990 14.6735 14.6735 16.7902 16.7902 22.2169 22.2169 24.3213 24.3213 k =-0.3861 0.1930 0.4316 ( 738 PWs) bands (ev): 3.4603 3.4603 4.2368 4.2368 6.3413 6.3413 6.3992 6.3992 7.2913 7.2913 10.1071 10.1071 14.7802 14.7802 16.9026 16.9026 22.4089 22.4089 24.4158 24.4158 k =-0.3797 0.1899 0.4246 ( 738 PWs) bands (ev): 3.4669 3.4669 4.2521 4.2521 6.3173 6.3173 6.3852 6.3852 7.2704 7.2704 9.9174 9.9174 14.8914 14.8914 17.0101 17.0101 22.6100 22.6100 24.5158 24.5158 k =-0.3734 0.1867 0.4175 ( 740 PWs) bands (ev): 3.4738 3.4738 4.2675 4.2675 6.2915 6.2915 6.3720 6.3720 7.2495 7.2495 9.7301 9.7301 15.0068 15.0068 17.1132 17.1132 22.8193 22.8193 24.6216 24.6216 k =-0.3671 0.1836 0.4104 ( 732 PWs) bands (ev): 3.4808 3.4808 4.2829 4.2829 6.2643 6.2643 6.3592 6.3592 7.2285 7.2285 9.5455 9.5455 15.1262 15.1262 17.2124 17.2124 23.0368 23.0368 24.7332 24.7332 k =-0.3608 0.1804 0.4033 ( 732 PWs) bands (ev): 3.4880 3.4880 4.2981 4.2981 6.2362 6.2362 6.3465 6.3465 7.2075 7.2075 9.3636 9.3636 15.2494 15.2494 17.3080 17.3080 23.2608 23.2608 24.8509 24.8509 k =-0.3544 0.1772 0.3963 ( 732 PWs) bands (ev): 3.4953 3.4953 4.3131 4.3131 6.2074 6.2074 6.3339 6.3339 7.1866 7.1866 9.1849 9.1849 15.3762 15.3762 17.4007 17.4007 23.4907 23.4907 24.9750 24.9750 k =-0.3481 0.1741 0.3892 ( 732 PWs) bands (ev): 3.5027 3.5027 4.3276 4.3276 6.1780 6.1780 6.3211 6.3211 7.1658 7.1658 9.0094 9.0094 15.5064 15.5064 17.4910 17.4910 23.7253 23.7253 25.1059 25.1059 k =-0.3418 0.1709 0.3821 ( 732 PWs) bands (ev): 3.5101 3.5101 4.3417 4.3417 6.1482 6.1482 6.3083 6.3083 7.1450 7.1450 8.8375 8.8375 15.6399 15.6399 17.5792 17.5792 23.9635 23.9635 25.2444 25.2444 k =-0.3354 0.1677 0.3750 ( 724 PWs) bands (ev): 3.5176 3.5176 4.3552 4.3552 6.1180 6.1180 6.2954 6.2954 7.1243 7.1243 8.6694 8.6694 15.7764 15.7764 17.6661 17.6661 24.2039 24.2039 25.3911 25.3911 k =-0.3291 0.1646 0.3680 ( 720 PWs) bands (ev): 3.5250 3.5250 4.3679 4.3679 6.0874 6.0874 6.2824 6.2824 7.1038 7.1038 8.5054 8.5054 15.9158 15.9158 17.7519 17.7519 24.4449 24.4449 25.5470 25.5470 k =-0.3228 0.1614 0.3609 ( 718 PWs) bands (ev): 3.5324 3.5324 4.3797 4.3797 6.0563 6.0563 6.2694 6.2694 7.0833 7.0833 8.3458 8.3458 16.0578 16.0578 17.8370 17.8370 24.6845 24.6845 25.7133 25.7133 k =-0.3165 0.1582 0.3538 ( 718 PWs) bands (ev): 3.5398 3.5398 4.3905 4.3905 6.0247 6.0247 6.2565 6.2565 7.0629 7.0629 8.1911 8.1911 16.2022 16.2022 17.9221 17.9221 24.9207 24.9207 25.8912 25.8912 k =-0.3101 0.1551 0.3467 ( 718 PWs) bands (ev): 3.5469 3.5469 4.4003 4.4003 5.9922 5.9922 6.2437 6.2437 7.0424 7.0424 8.0416 8.0416 16.3489 16.3489 18.0074 18.0074 25.1516 25.1516 26.0819 26.0819 k =-0.3038 0.1519 0.3397 ( 720 PWs) bands (ev): 3.5539 3.5539 4.4089 4.4089 5.9587 5.9587 6.2310 6.2310 7.0218 7.0218 7.8978 7.8978 16.4976 16.4976 18.0933 18.0933 25.3757 25.3757 26.2861 26.2861 k =-0.2975 0.1487 0.3326 ( 720 PWs) bands (ev): 3.5607 3.5607 4.4162 4.4162 5.9238 5.9238 6.2187 6.2187 7.0010 7.0010 7.7604 7.7604 16.6482 16.6482 18.1803 18.1803 25.5921 25.5921 26.5038 26.5038 k =-0.2911 0.1456 0.3255 ( 720 PWs) bands (ev): 3.5672 3.5672 4.4221 4.4221 5.8872 5.8872 6.2068 6.2068 6.9796 6.9796 7.6301 7.6301 16.8005 16.8005 18.2688 18.2688 25.8008 25.8008 26.7336 26.7336 k =-0.2848 0.1424 0.3184 ( 720 PWs) bands (ev): 3.5734 3.5734 4.4267 4.4267 5.8482 5.8482 6.1955 6.1955 6.9573 6.9573 7.5078 7.5078 16.9541 16.9541 18.3591 18.3591 26.0026 26.0026 26.9731 26.9731 k =-0.2785 0.1392 0.3114 ( 724 PWs) bands (ev): 3.5791 3.5791 4.4299 4.4299 5.8066 5.8066 6.1848 6.1848 6.9335 6.9335 7.3945 7.3945 17.1090 17.1090 18.4514 18.4514 26.1988 26.1988 27.2183 27.2183 k =-0.2722 0.1361 0.3043 ( 724 PWs) bands (ev): 3.5844 3.5844 4.4317 4.4317 5.7617 5.7617 6.1750 6.1750 6.9073 6.9073 7.2917 7.2917 17.2648 17.2648 18.5463 18.5463 26.3910 26.3910 27.4647 27.4647 k =-0.2658 0.1329 0.2972 ( 724 PWs) bands (ev): 3.5892 3.5892 4.4320 4.4320 5.7132 5.7132 6.1660 6.1660 6.8773 6.8773 7.2013 7.2013 17.4212 17.4212 18.6440 18.6440 26.5804 26.5804 27.7055 27.7055 k =-0.2595 0.1298 0.2901 ( 724 PWs) bands (ev): 3.5934 3.5934 4.4309 4.4309 5.6606 5.6606 6.1580 6.1580 6.8422 6.8422 7.1249 7.1249 17.5781 17.5781 18.7448 18.7448 26.7682 26.7682 27.9321 27.9321 k =-0.2532 0.1266 0.2830 ( 722 PWs) bands (ev): 3.5970 3.5970 4.4285 4.4285 5.6038 5.6038 6.1511 6.1511 6.8009 6.8009 7.0637 7.0637 17.7352 17.7352 18.8491 18.8491 26.9553 26.9553 28.1340 28.1340 k =-0.2468 0.1234 0.2760 ( 722 PWs) bands (ev): 3.5997 3.5997 4.4248 4.4248 5.5428 5.5428 6.1453 6.1453 6.7545 6.7545 7.0167 7.0167 17.8920 17.8920 18.9571 18.9571 27.1423 27.1423 28.3022 28.3022 k =-0.2405 0.1203 0.2689 ( 726 PWs) bands (ev): 3.6015 3.6015 4.4198 4.4198 5.4779 5.4779 6.1405 6.1405 6.7056 6.7056 6.9812 6.9812 18.0484 18.0484 19.0692 19.0692 27.3296 27.3296 28.4343 28.4343 k =-0.2342 0.1171 0.2618 ( 728 PWs) bands (ev): 3.6024 3.6024 4.4137 4.4137 5.4095 5.4095 6.1367 6.1367 6.6569 6.6569 6.9540 6.9540 18.2041 18.2041 19.1855 19.1855 27.5176 27.5176 28.5360 28.5360 k =-0.2278 0.1139 0.2547 ( 728 PWs) bands (ev): 3.6022 3.6022 4.4065 4.4065 5.3382 5.3382 6.1339 6.1339 6.6107 6.6107 6.9324 6.9324 18.3588 18.3588 19.3064 19.3064 27.7066 27.7066 28.6162 28.6162 k =-0.2215 0.1108 0.2477 ( 728 PWs) bands (ev): 3.6007 3.6007 4.3984 4.3984 5.2649 5.2649 6.1319 6.1319 6.5678 6.5678 6.9148 6.9148 18.5124 18.5124 19.4320 19.4320 27.8966 27.8966 28.6826 28.6826 k =-0.2152 0.1076 0.2406 ( 728 PWs) bands (ev): 3.5979 3.5979 4.3895 4.3895 5.1904 5.1904 6.1307 6.1307 6.5288 6.5288 6.9001 6.9001 18.6646 18.6646 19.5622 19.5622 28.0877 28.0877 28.7407 28.7407 k =-0.2089 0.1044 0.2335 ( 728 PWs) bands (ev): 3.5935 3.5935 4.3798 4.3798 5.1155 5.1155 6.1300 6.1300 6.4936 6.4936 6.8876 6.8876 18.8154 18.8154 19.6972 19.6972 28.2798 28.2798 28.7941 28.7941 k =-0.2025 0.1013 0.2264 ( 724 PWs) bands (ev): 3.5874 3.5874 4.3695 4.3695 5.0410 5.0410 6.1299 6.1299 6.4620 6.4620 6.8770 6.8770 18.9648 18.9648 19.8367 19.8367 28.4730 28.4730 28.8450 28.8450 k =-0.1962 0.0981 0.2194 ( 732 PWs) bands (ev): 3.5793 3.5793 4.3587 4.3587 4.9678 4.9678 6.1301 6.1301 6.4336 6.4336 6.8679 6.8679 19.1127 19.1127 19.9805 19.9805 28.6666 28.6666 28.8948 28.8948 k =-0.1899 0.0949 0.2123 ( 732 PWs) bands (ev): 3.5693 3.5693 4.3474 4.3474 4.8965 4.8965 6.1306 6.1306 6.4082 6.4082 6.8603 6.8603 19.2594 19.2594 20.1285 20.1285 28.8605 28.8605 28.9449 28.9449 k =-0.1835 0.0918 0.2052 ( 734 PWs) bands (ev): 3.5569 3.5569 4.3359 4.3359 4.8278 4.8278 6.1312 6.1312 6.3854 6.3854 6.8539 6.8539 19.4050 19.4050 20.2801 20.2801 28.9926 28.9926 29.0572 29.0572 k =-0.1772 0.0886 0.1981 ( 728 PWs) bands (ev): 3.5422 3.5422 4.3242 4.3242 4.7623 4.7623 6.1317 6.1317 6.3649 6.3649 6.8486 6.8486 19.5498 19.5498 20.4351 20.4351 29.0438 29.0438 29.2509 29.2509 k =-0.1709 0.0854 0.1911 ( 728 PWs) bands (ev): 3.5250 3.5250 4.3124 4.3124 4.7004 4.7004 6.1322 6.1322 6.3464 6.3464 6.8444 6.8444 19.6938 19.6938 20.5928 20.5928 29.0950 29.0950 29.4443 29.4443 k =-0.1646 0.0823 0.1840 ( 728 PWs) bands (ev): 3.5051 3.5051 4.3005 4.3005 4.6425 4.6425 6.1326 6.1326 6.3298 6.3298 6.8412 6.8412 19.8373 19.8373 20.7528 20.7528 29.1469 29.1469 29.6361 29.6361 k =-0.1582 0.0791 0.1769 ( 728 PWs) bands (ev): 3.4826 3.4826 4.2888 4.2888 4.5890 4.5890 6.1327 6.1327 6.3148 6.3148 6.8389 6.8389 19.9804 19.9804 20.9145 20.9145 29.1992 29.1992 29.8247 29.8247 k =-0.1519 0.0760 0.1698 ( 724 PWs) bands (ev): 3.4576 3.4576 4.2771 4.2771 4.5398 4.5398 6.1326 6.1326 6.3013 6.3013 6.8375 6.8375 20.1232 20.1232 21.0776 21.0776 29.2517 29.2517 30.0082 30.0082 k =-0.1456 0.0728 0.1628 ( 728 PWs) bands (ev): 3.4302 3.4302 4.2657 4.2657 4.4951 4.4951 6.1321 6.1321 6.2891 6.2891 6.8368 6.8368 20.2657 20.2657 21.2414 21.2414 29.3039 29.3039 30.1827 30.1827 k =-0.1392 0.0696 0.1557 ( 730 PWs) bands (ev): 3.4005 3.4005 4.2546 4.2546 4.4549 4.4549 6.1313 6.1313 6.2781 6.2781 6.8368 6.8368 20.4081 20.4081 21.4056 21.4056 29.3553 29.3553 30.3418 30.3418 k =-0.1329 0.0665 0.1486 ( 730 PWs) bands (ev): 3.3689 3.3689 4.2438 4.2438 4.4189 4.4189 6.1302 6.1302 6.2682 6.2682 6.8375 6.8375 20.5501 20.5501 21.5698 21.5698 29.4050 29.4050 30.4727 30.4727 k =-0.1266 0.0633 0.1415 ( 730 PWs) bands (ev): 3.3358 3.3358 4.2333 4.2333 4.3869 4.3869 6.1288 6.1288 6.2593 6.2593 6.8387 6.8387 20.6916 20.6916 21.7333 21.7333 29.4518 29.4518 30.5554 30.5554 k =-0.1203 0.0601 0.1344 ( 726 PWs) bands (ev): 3.3016 3.3016 4.2232 4.2232 4.3587 4.3587 6.1271 6.1271 6.2513 6.2513 6.8403 6.8403 20.8324 20.8324 21.8958 21.8958 29.4943 29.4943 30.5779 30.5779 k =-0.1139 0.0570 0.1274 ( 726 PWs) bands (ev): 3.2666 3.2666 4.2134 4.2134 4.3340 4.3340 6.1252 6.1252 6.2441 6.2441 6.8424 6.8424 20.9723 20.9723 22.0569 22.0569 29.5307 29.5307 30.5559 30.5559 k =-0.1076 0.0538 0.1203 ( 726 PWs) bands (ev): 3.2314 3.2314 4.2040 4.2040 4.3125 4.3125 6.1230 6.1230 6.2377 6.2377 6.8447 6.8447 21.1108 21.1108 22.2160 22.2160 29.5586 29.5586 30.5125 30.5125 k =-0.1013 0.0506 0.1132 ( 726 PWs) bands (ev): 3.1963 3.1963 4.1950 4.1950 4.2938 4.2938 6.1207 6.1207 6.2319 6.2319 6.8473 6.8473 21.2476 21.2476 22.3727 22.3727 29.5752 29.5752 30.4613 30.4613 k =-0.0949 0.0475 0.1061 ( 726 PWs) bands (ev): 3.1617 3.1617 4.1863 4.1863 4.2776 4.2776 6.1182 6.1182 6.2268 6.2268 6.8501 6.8501 21.3821 21.3821 22.5265 22.5265 29.5775 29.5775 30.4087 30.4087 k =-0.0886 0.0443 0.0991 ( 726 PWs) bands (ev): 3.1280 3.1280 4.1780 4.1780 4.2638 4.2638 6.1157 6.1157 6.2222 6.2222 6.8531 6.8531 21.5138 21.5138 22.6768 22.6768 29.5626 29.5626 30.3579 30.3579 k =-0.0823 0.0411 0.0920 ( 730 PWs) bands (ev): 3.0955 3.0955 4.1700 4.1700 4.2520 4.2520 6.1131 6.1131 6.2181 6.2181 6.8560 6.8560 21.6419 21.6419 22.8231 22.8231 29.5285 29.5285 30.3103 30.3103 k =-0.0759 0.0380 0.0849 ( 722 PWs) bands (ev): 3.0645 3.0645 4.1624 4.1624 4.2420 4.2420 6.1106 6.1106 6.2144 6.2144 6.8590 6.8590 21.7660 21.7660 22.9648 22.9648 29.4751 29.4751 30.2675 30.2675 k =-0.0696 0.0348 0.0778 ( 722 PWs) bands (ev): 3.0351 3.0351 4.1553 4.1553 4.2336 4.2336 6.1081 6.1081 6.2111 6.2111 6.8619 6.8619 21.8849 21.8849 23.1011 23.1011 29.4040 29.4040 30.2290 30.2290 k =-0.0633 0.0316 0.0708 ( 722 PWs) bands (ev): 3.0078 3.0078 4.1486 4.1486 4.2265 4.2265 6.1057 6.1057 6.2082 6.2082 6.8648 6.8648 21.9980 21.9980 23.2313 23.2313 29.3190 29.3190 30.1950 30.1950 k =-0.0570 0.0285 0.0637 ( 721 PWs) bands (ev): 2.9825 2.9825 4.1424 4.1424 4.2206 4.2206 6.1035 6.1035 6.2057 6.2057 6.8674 6.8674 22.1044 22.1044 23.3544 23.3544 29.2246 29.2246 30.1652 30.1652 k =-0.0506 0.0253 0.0566 ( 721 PWs) bands (ev): 2.9596 2.9596 4.1368 4.1368 4.2156 4.2156 6.1014 6.1014 6.2035 6.2035 6.8699 6.8699 22.2030 22.2030 23.4696 23.4696 29.1256 29.1256 30.1396 30.1396 k =-0.0443 0.0222 0.0495 ( 717 PWs) bands (ev): 2.9390 2.9390 4.1318 4.1318 4.2115 4.2115 6.0995 6.0995 6.2015 6.2015 6.8722 6.8722 22.2929 22.2929 23.5758 23.5758 29.0267 29.0267 30.1189 30.1189 k =-0.0380 0.0190 0.0425 ( 709 PWs) bands (ev): 2.9210 2.9210 4.1274 4.1274 4.2082 4.2082 6.0979 6.0979 6.1999 6.1999 6.8742 6.8742 22.3732 22.3732 23.6717 23.6717 28.9320 28.9320 30.1025 30.1025 k =-0.0316 0.0158 0.0354 ( 709 PWs) bands (ev): 2.9057 2.9057 4.1236 4.1236 4.2055 4.2055 6.0964 6.0964 6.1985 6.1985 6.8760 6.8760 22.4429 22.4429 23.7561 23.7561 28.8451 28.8451 30.0884 30.0884 k =-0.0253 0.0127 0.0283 ( 709 PWs) bands (ev): 2.8930 2.8930 4.1205 4.1205 4.2034 4.2034 6.0952 6.0952 6.1974 6.1974 6.8775 6.8775 22.5013 22.5013 23.8275 23.8275 28.7692 28.7692 30.0775 30.0775 k =-0.0190 0.0095 0.0212 ( 709 PWs) bands (ev): 2.8831 2.8831 4.1181 4.1181 4.2018 4.2018 6.0943 6.0943 6.1965 6.1965 6.8786 6.8786 22.5475 22.5475 23.8847 23.8847 28.7071 28.7071 30.0695 30.0695 k =-0.0127 0.0063 0.0142 ( 709 PWs) bands (ev): 2.8759 2.8759 4.1164 4.1164 4.2007 4.2007 6.0936 6.0936 6.1959 6.1959 6.8795 6.8795 22.5809 22.5809 23.9266 23.9266 28.6611 28.6611 30.0640 30.0640 k =-0.0063 0.0032 0.0071 ( 709 PWs) bands (ev): 2.8716 2.8716 4.1153 4.1153 4.2000 4.2000 6.0932 6.0932 6.1956 6.1956 6.8800 6.8800 22.6012 22.6012 23.9521 23.9521 28.6328 28.6328 30.0609 30.0609 k = 0.0000 0.0000 0.0000 ( 709 PWs) bands (ev): 2.8702 2.8702 4.1150 4.1150 4.1998 4.1998 6.0931 6.0931 6.1955 6.1955 6.8802 6.8802 22.6080 22.6080 23.9607 23.9607 28.6232 28.6232 30.0599 30.0599 k = 0.0000 0.0000 0.0000 ( 709 PWs) bands (ev): 2.8702 2.8702 4.1150 4.1150 4.1998 4.1998 6.0931 6.0931 6.1955 6.1955 6.8802 6.8802 22.6080 22.6080 23.9607 23.9607 28.6232 28.6232 30.0599 30.0599 k = 0.0045 0.0089-0.0000 ( 709 PWs) bands (ev): 2.8724 2.8724 4.1153 4.1153 4.2002 4.2002 6.0928 6.0928 6.1950 6.1950 6.8796 6.8796 22.6103 22.6103 23.9637 23.9637 28.6235 28.6235 30.0598 30.0598 k = 0.0089 0.0179-0.0000 ( 709 PWs) bands (ev): 2.8791 2.8791 4.1161 4.1161 4.2015 4.2015 6.0921 6.0921 6.1938 6.1938 6.8781 6.8781 22.6174 22.6174 23.9725 23.9725 28.6245 28.6245 30.0594 30.0594 k = 0.0134 0.0268-0.0000 ( 709 PWs) bands (ev): 2.8902 2.8902 4.1175 4.1175 4.2036 4.2036 6.0910 6.0910 6.1917 6.1917 6.8755 6.8755 22.6291 22.6291 23.9872 23.9872 28.6260 28.6260 30.0589 30.0589 k = 0.0179 0.0357-0.0000 ( 709 PWs) bands (ev): 2.9057 2.9057 4.1195 4.1195 4.2065 4.2065 6.0894 6.0894 6.1888 6.1888 6.8718 6.8718 22.6454 22.6454 24.0077 24.0077 28.6280 28.6280 30.0580 30.0580 k = 0.0223 0.0446-0.0000 ( 709 PWs) bands (ev): 2.9256 2.9256 4.1220 4.1220 4.2103 4.2103 6.0875 6.0875 6.1851 6.1851 6.8672 6.8672 22.6663 22.6663 24.0341 24.0341 28.6304 28.6304 30.0569 30.0569 k = 0.0268 0.0536-0.0000 ( 717 PWs) bands (ev): 2.9499 2.9499 4.1251 4.1251 4.2147 4.2147 6.0853 6.0853 6.1805 6.1805 6.8617 6.8617 22.6915 22.6915 24.0661 24.0661 28.6324 28.6324 30.0554 30.0554 k = 0.0313 0.0625-0.0000 ( 717 PWs) bands (ev): 2.9785 2.9785 4.1287 4.1287 4.2199 4.2199 6.0830 6.0830 6.1752 6.1752 6.8552 6.8552 22.7210 22.7210 24.1038 24.1038 28.6348 28.6348 30.0536 30.0536 k = 0.0357 0.0714-0.0000 ( 717 PWs) bands (ev): 3.0114 3.0114 4.1327 4.1327 4.2258 4.2258 6.0806 6.0806 6.1690 6.1690 6.8479 6.8479 22.7546 22.7546 24.1471 24.1471 28.6369 28.6369 30.0512 30.0512 k = 0.0402 0.0804-0.0000 ( 725 PWs) bands (ev): 3.0485 3.0485 4.1373 4.1373 4.2323 4.2323 6.0782 6.0782 6.1620 6.1620 6.8398 6.8398 22.7922 22.7922 24.1959 24.1959 28.6380 28.6380 30.0473 30.0473 k = 0.0446 0.0893-0.0000 ( 725 PWs) bands (ev): 3.0898 3.0898 4.1424 4.1424 4.2393 4.2393 6.0760 6.0760 6.1543 6.1543 6.8310 6.8310 22.8334 22.8334 24.2500 24.2500 28.6376 28.6376 30.0433 30.0433 k = 0.0491 0.0982-0.0000 ( 725 PWs) bands (ev): 3.1351 3.1351 4.1479 4.1479 4.2469 4.2469 6.0742 6.0742 6.1458 6.1458 6.8215 6.8215 22.8780 22.8780 24.3094 24.3094 28.6346 28.6346 30.0377 30.0377 k = 0.0536 0.1071-0.0000 ( 725 PWs) bands (ev): 3.1845 3.1845 4.1538 4.1538 4.2549 4.2549 6.0730 6.0730 6.1366 6.1366 6.8113 6.8113 22.9257 22.9257 24.3739 24.3739 28.6278 28.6278 29.9629 29.9629 k = 0.0580 0.1161-0.0000 ( 725 PWs) bands (ev): 3.2377 3.2377 4.1602 4.1602 4.2633 4.2633 6.0724 6.0724 6.1267 6.1267 6.8006 6.8006 22.9761 22.9761 24.4433 24.4433 28.6150 28.6150 29.8266 29.8266 k = 0.0625 0.1250-0.0000 ( 729 PWs) bands (ev): 3.2948 3.2948 4.1669 4.1669 4.2719 4.2719 6.0727 6.0727 6.1161 6.1161 6.7894 6.7894 23.0288 23.0288 24.5175 24.5175 28.5936 28.5936 29.6933 29.6933 k = 0.0670 0.1339-0.0000 ( 729 PWs) bands (ev): 3.3555 3.3555 4.1739 4.1739 4.2808 4.2808 6.0741 6.0741 6.1051 6.1051 6.7778 6.7778 23.0832 23.0832 24.5962 24.5962 28.5601 28.5601 29.5678 29.5678 k = 0.0714 0.1429-0.0000 ( 729 PWs) bands (ev): 3.4196 3.4196 4.1813 4.1813 4.2898 4.2898 6.0764 6.0764 6.0939 6.0939 6.7658 6.7658 23.1388 23.1388 24.6793 24.6793 28.5101 28.5101 29.4545 29.4545 k = 0.0759 0.1518-0.0000 ( 729 PWs) bands (ev): 3.4870 3.4870 4.1889 4.1889 4.2989 4.2989 6.0761 6.0761 6.0865 6.0865 6.7535 6.7535 23.1950 23.1950 24.7664 24.7664 28.4398 28.4398 29.3574 29.3574 k = 0.0804 0.1607-0.0000 ( 725 PWs) bands (ev): 3.5575 3.5575 4.1968 4.1968 4.3081 4.3081 6.0660 6.0660 6.0905 6.0905 6.7409 6.7409 23.2508 23.2508 24.8574 24.8574 28.3478 28.3478 29.2538 29.2539 k = 0.0848 0.1696-0.0000 ( 725 PWs) bands (ev): 3.6307 3.6307 4.2049 4.2049 4.3175 4.3175 6.0532 6.0532 6.0989 6.0989 6.7281 6.7281 23.3053 23.3053 24.9518 24.9518 28.2346 28.2346 29.0288 29.0288 k = 0.0893 0.1786-0.0000 ( 725 PWs) bands (ev): 3.7063 3.7063 4.2131 4.2131 4.3270 4.3270 6.0397 6.0397 6.1102 6.1102 6.7151 6.7151 23.3575 23.3575 25.0492 25.0492 28.1045 28.1045 28.8051 28.8051 k = 0.0938 0.1875-0.0000 ( 725 PWs) bands (ev): 3.7837 3.7837 4.2215 4.2215 4.3369 4.3369 6.0259 6.0259 6.1245 6.1245 6.7020 6.7020 23.4059 23.4059 25.1492 25.1492 27.9621 27.9621 28.5837 28.5837 k = 0.0982 0.1964-0.0000 ( 725 PWs) bands (ev): 3.8621 3.8621 4.2299 4.2299 4.3476 4.3476 6.0119 6.0119 6.1420 6.1420 6.6889 6.6889 23.4491 23.4491 25.2512 25.2512 27.8119 27.8119 28.3650 28.3650 k = 0.1027 0.2054-0.0000 ( 725 PWs) bands (ev): 3.9406 3.9406 4.2384 4.2384 4.3599 4.3599 5.9978 5.9978 6.1631 6.1631 6.6756 6.6756 23.4852 23.4852 25.3542 25.3542 27.6572 27.6572 28.1492 28.1492 k = 0.1071 0.2143-0.0000 ( 725 PWs) bands (ev): 4.0172 4.0172 4.2468 4.2468 4.3751 4.3751 5.9837 5.9837 6.1882 6.1882 6.6623 6.6623 23.5123 23.5123 25.4575 25.4575 27.5004 27.5004 27.9366 27.9366 k = 0.1116 0.2232-0.0000 ( 725 PWs) bands (ev): 4.0890 4.0890 4.2553 4.2553 4.3959 4.3959 5.9697 5.9697 6.2175 6.2175 6.6490 6.6490 23.5282 23.5282 25.5595 25.5595 27.3427 27.3427 27.7271 27.7271 k = 0.1161 0.2321-0.0000 ( 725 PWs) bands (ev): 4.1516 4.1516 4.2637 4.2637 4.4261 4.4261 5.9559 5.9559 6.2515 6.2515 6.6358 6.6358 23.5304 23.5304 25.6584 25.6584 27.1839 27.1839 27.5210 27.5210 k = 0.1205 0.2411-0.0000 ( 725 PWs) bands (ev): 4.2002 4.2002 4.2721 4.2721 4.4703 4.4703 5.9424 5.9424 6.2907 6.2907 6.6225 6.6225 23.5165 23.5165 25.7517 25.7517 27.0221 27.0221 27.3183 27.3183 k = 0.1250 0.2500-0.0000 ( 701 PWs) bands (ev): 4.2331 4.2331 4.2803 4.2803 4.5295 4.5295 5.9294 5.9294 6.3353 6.3353 6.6093 6.6093 23.4843 23.4843 25.8359 25.8359 26.8541 26.8541 27.1192 27.1192 k = 0.1295 0.2589-0.0000 ( 717 PWs) bands (ev): 4.2532 4.2532 4.2882 4.2882 4.6005 4.6005 5.9167 5.9167 6.3857 6.3857 6.5962 6.5962 23.4320 23.4320 25.9058 25.9058 26.6740 26.6740 26.9234 26.9234 k = 0.1339 0.2679-0.0000 ( 725 PWs) bands (ev): 4.2649 4.2649 4.2957 4.2957 4.6788 4.6788 5.9047 5.9047 6.4425 6.4425 6.5832 6.5832 23.3583 23.3583 25.9550 25.9550 26.4796 26.4796 26.7314 26.7314 k = 0.1384 0.2768-0.0000 ( 725 PWs) bands (ev): 4.2712 4.2712 4.3027 4.3027 4.7607 4.7607 5.8933 5.8933 6.5060 6.5060 6.5702 6.5702 23.2629 23.2629 25.9762 25.9762 26.2697 26.2697 26.5434 26.5434 k = 0.1429 0.2857-0.0000 ( 725 PWs) bands (ev): 4.2739 4.2739 4.3092 4.3092 4.8440 4.8440 5.8826 5.8826 6.5574 6.5574 6.5765 6.5765 23.1460 23.1460 25.9622 25.9622 26.0462 26.0462 26.3597 26.3597 k = 0.1473 0.2946-0.0000 ( 725 PWs) bands (ev): 4.2741 4.2741 4.3154 4.3154 4.9271 4.9271 5.8727 5.8727 6.5448 6.5448 6.6543 6.6543 23.0088 23.0088 25.8124 25.8124 25.9091 25.9091 26.1813 26.1813 k = 0.1518 0.3036-0.0000 ( 725 PWs) bands (ev): 4.2725 4.2725 4.3213 4.3213 5.0090 5.0090 5.8636 5.8636 6.5323 6.5323 6.7398 6.7398 22.8528 22.8528 25.5722 25.5722 25.8173 25.8173 26.0092 26.0092 k = 0.1563 0.3125-0.0000 ( 725 PWs) bands (ev): 4.2694 4.2694 4.3268 4.3268 5.0889 5.0889 5.8554 5.8554 6.5200 6.5200 6.8329 6.8329 22.6801 22.6801 25.3282 25.3282 25.6917 25.6917 25.8439 25.8439 k = 0.1607 0.3214-0.0000 ( 725 PWs) bands (ev): 4.2653 4.2653 4.3319 4.3319 5.1664 5.1664 5.8481 5.8481 6.5080 6.5080 6.9339 6.9339 22.4927 22.4927 25.0827 25.0827 25.5415 25.5415 25.6831 25.6831 k = 0.1652 0.3304-0.0000 ( 725 PWs) bands (ev): 4.2605 4.2605 4.3366 4.3366 5.2411 5.2411 5.8417 5.8417 6.4963 6.4963 7.0426 7.0426 22.2929 22.2929 24.8372 24.8372 25.3763 25.3763 25.5232 25.5232 k = 0.1696 0.3393-0.0000 ( 725 PWs) bands (ev): 4.2551 4.2551 4.3410 4.3410 5.3127 5.3127 5.8362 5.8362 6.4849 6.4849 7.1590 7.1590 22.0826 22.0826 24.5927 24.5927 25.2025 25.2025 25.3628 25.3628 k = 0.1741 0.3482-0.0000 ( 717 PWs) bands (ev): 4.2493 4.2493 4.3450 4.3450 5.3813 5.3813 5.8315 5.8315 6.4739 6.4739 7.2829 7.2829 21.8639 21.8639 24.3500 24.3500 25.0228 25.0228 25.2027 25.2027 k = 0.1786 0.3571-0.0000 ( 717 PWs) bands (ev): 4.2433 4.2433 4.3486 4.3486 5.4466 5.4466 5.8277 5.8277 6.4633 6.4633 7.4139 7.4139 21.6382 21.6382 24.1093 24.1093 24.8384 24.8384 25.0444 25.0444 k = 0.1830 0.3661-0.0000 ( 717 PWs) bands (ev): 4.2373 4.2373 4.3518 4.3518 5.5087 5.5087 5.8247 5.8247 6.4533 6.4533 7.5519 7.5519 21.4073 21.4073 23.8709 23.8709 24.6499 24.6499 24.8888 24.8888 k = 0.1875 0.3750-0.0000 ( 717 PWs) bands (ev): 4.2313 4.2313 4.3548 4.3548 5.5678 5.5678 5.8224 5.8224 6.4438 6.4438 7.6963 7.6963 21.1726 21.1726 23.6350 23.6350 24.4582 24.4582 24.7366 24.7366 k = 0.1920 0.3839-0.0000 ( 717 PWs) bands (ev): 4.2255 4.2255 4.3574 4.3574 5.6237 5.6237 5.8208 5.8208 6.4350 6.4350 7.8469 7.8469 20.9352 20.9352 23.4016 23.4016 24.2638 24.2638 24.5882 24.5882 k = 0.1964 0.3929-0.0000 ( 721 PWs) bands (ev): 4.2200 4.2200 4.3598 4.3598 5.6768 5.6768 5.8198 5.8198 6.4269 6.4269 8.0032 8.0032 20.6963 20.6963 23.1707 23.1707 24.0673 24.0673 24.4433 24.4433 k = 0.2009 0.4018-0.0000 ( 721 PWs) bands (ev): 4.2149 4.2149 4.3620 4.3620 5.7269 5.7269 5.8193 5.8193 6.4197 6.4197 8.1650 8.1650 20.4569 20.4569 22.9423 22.9423 23.8695 23.8695 24.3023 24.3023 k = 0.2054 0.4107-0.0000 ( 721 PWs) bands (ev): 4.2103 4.2103 4.3640 4.3640 5.7739 5.7739 5.8194 5.8194 6.4133 6.4133 8.3317 8.3317 20.2178 20.2178 22.7163 22.7163 23.6707 23.6707 24.1650 24.1650 k = 0.2098 0.4196-0.0000 ( 721 PWs) bands (ev): 4.2062 4.2062 4.3659 4.3659 5.8135 5.8135 5.8245 5.8245 6.4081 6.4081 8.5032 8.5032 19.9799 19.9799 22.4928 22.4928 23.4714 23.4714 24.0313 24.0313 k = 0.2143 0.4286-0.0000 ( 722 PWs) bands (ev): 4.2027 4.2027 4.3676 4.3676 5.8182 5.8182 5.8618 5.8618 6.4039 6.4039 8.6791 8.6791 19.7438 19.7438 22.2715 22.2715 23.2717 23.2717 23.9011 23.9011 k = 0.2188 0.4375-0.0000 ( 722 PWs) bands (ev): 4.2000 4.2000 4.3693 4.3693 5.8188 5.8188 5.9007 5.9007 6.4009 6.4009 8.8590 8.8590 19.5103 19.5103 22.0526 22.0526 23.0719 23.0719 23.7743 23.7743 k = 0.2232 0.4464-0.0000 ( 726 PWs) bands (ev): 4.1980 4.1980 4.3709 4.3709 5.8192 5.8192 5.9370 5.9370 6.3992 6.3992 9.0427 9.0427 19.2798 19.2798 21.8358 21.8358 22.8722 22.8722 23.6508 23.6508 k = 0.2277 0.4554-0.0000 ( 726 PWs) bands (ev): 4.1967 4.1967 4.3725 4.3725 5.8194 5.8194 5.9706 5.9706 6.3988 6.3988 9.2299 9.2299 19.0530 19.0530 21.6212 21.6212 22.6730 22.6730 23.5308 23.5308 k = 0.2321 0.4643-0.0000 ( 714 PWs) bands (ev): 4.1963 4.1963 4.3742 4.3742 5.8194 5.8194 6.0015 6.0015 6.3999 6.3999 9.4203 9.4203 18.8304 18.8304 21.4090 21.4090 22.4744 22.4744 23.4145 23.4145 k = 0.2366 0.4732-0.0000 ( 714 PWs) bands (ev): 4.1968 4.1968 4.3758 4.3758 5.8193 5.8193 6.0296 6.0296 6.4024 6.4024 9.6137 9.6137 18.6124 18.6124 21.1987 21.1987 22.2762 22.2762 23.3011 23.3011 k = 0.2411 0.4821-0.0000 ( 714 PWs) bands (ev): 4.1982 4.1982 4.3774 4.3774 5.8189 5.8189 6.0548 6.0548 6.4063 6.4063 9.8099 9.8099 18.3994 18.3994 20.9906 20.9906 22.0787 22.0787 23.1909 23.1909 k = 0.2455 0.4911-0.0000 ( 714 PWs) bands (ev): 4.2004 4.2004 4.3791 4.3791 5.8183 5.8183 6.0770 6.0770 6.4117 6.4117 10.0084 10.0084 18.1919 18.1919 20.7845 20.7845 21.8821 21.8821 23.0838 23.0838 k = 0.2500 0.5000-0.0000 ( 714 PWs) bands (ev): 4.2035 4.2035 4.3808 4.3808 5.8177 5.8177 6.0963 6.0963 6.4185 6.4185 10.2092 10.2092 17.9903 17.9903 20.5805 20.5805 21.6863 21.6863 22.9798 22.9798 k = 0.2545 0.5089-0.0000 ( 714 PWs) bands (ev): 4.2076 4.2076 4.3825 4.3825 5.8169 5.8169 6.1126 6.1126 6.4268 6.4268 10.4120 10.4120 17.7949 17.7949 20.3787 20.3787 21.4915 21.4915 22.8788 22.8788 k = 0.2589 0.5179-0.0000 ( 714 PWs) bands (ev): 4.2125 4.2125 4.3842 4.3842 5.8161 5.8161 6.1259 6.1259 6.4363 6.4363 10.6164 10.6164 17.6061 17.6061 20.1790 20.1790 21.2977 21.2977 22.7808 22.7808 k = 0.2634 0.5268-0.0000 ( 714 PWs) bands (ev): 4.2182 4.2182 4.3858 4.3858 5.8155 5.8155 6.1360 6.1360 6.4472 6.4472 10.8222 10.8222 17.4242 17.4242 19.9814 19.9814 21.1050 21.1050 22.6858 22.6858 k = 0.2679 0.5357-0.0000 ( 714 PWs) bands (ev): 4.2247 4.2247 4.3874 4.3874 5.8150 5.8150 6.1431 6.1431 6.4592 6.4592 11.0290 11.0290 17.2497 17.2497 19.7861 19.7861 20.9135 20.9135 22.5936 22.5936 k = 0.2723 0.5446-0.0000 ( 706 PWs) bands (ev): 4.2320 4.2320 4.3888 4.3888 5.8150 5.8150 6.1471 6.1471 6.4724 6.4724 11.2366 11.2366 17.0829 17.0829 19.5931 19.5931 20.7234 20.7234 22.5046 22.5046 k = 0.2768 0.5536-0.0000 ( 706 PWs) bands (ev): 4.2400 4.2400 4.3901 4.3901 5.8154 5.8154 6.1480 6.1480 6.4866 6.4866 11.4445 11.4445 16.9241 16.9241 19.4024 19.4024 20.5343 20.5343 22.4181 22.4181 k = 0.2813 0.5625-0.0000 ( 706 PWs) bands (ev): 4.2486 4.2486 4.3911 4.3911 5.8164 5.8164 6.1459 6.1459 6.5018 6.5018 11.6522 11.6522 16.7738 16.7738 19.2140 19.2140 20.3466 20.3466 22.3343 22.3343 k = 0.2857 0.5714-0.0000 ( 706 PWs) bands (ev): 4.2577 4.2577 4.3918 4.3918 5.8182 5.8182 6.1409 6.1409 6.5179 6.5179 11.8593 11.8593 16.6323 16.6323 19.0283 19.0283 20.1602 20.1602 22.2532 22.2532 k = 0.2902 0.5803-0.0000 ( 714 PWs) bands (ev): 4.2672 4.2672 4.3922 4.3922 5.8209 5.8209 6.1331 6.1331 6.5347 6.5347 12.0650 12.0650 16.5001 16.5001 18.8452 18.8452 19.9752 19.9752 22.1744 22.1744 k = 0.2947 0.5893-0.0000 ( 706 PWs) bands (ev): 4.2769 4.2769 4.3922 4.3922 5.8247 5.8247 6.1226 6.1226 6.5523 6.5523 12.2687 12.2687 16.3779 16.3779 18.6653 18.6653 19.7918 19.7918 22.0985 22.0985 k = 0.2991 0.5982-0.0000 ( 706 PWs) bands (ev): 4.2867 4.2867 4.3918 4.3918 5.8296 5.8296 6.1097 6.1097 6.5705 6.5705 12.4694 12.4694 16.2661 16.2661 18.4884 18.4884 19.6098 19.6098 22.0252 22.0252 k = 0.3036 0.6071-0.0000 ( 706 PWs) bands (ev): 4.2965 4.2965 4.3908 4.3908 5.8358 5.8358 6.0946 6.0946 6.5892 6.5892 12.6658 12.6658 16.1656 16.1656 18.3151 18.3151 19.4294 19.4294 21.9543 21.9543 k = 0.3080 0.6161-0.0000 ( 710 PWs) bands (ev): 4.3059 4.3059 4.3892 4.3892 5.8433 5.8433 6.0775 6.0775 6.6085 6.6085 12.8565 12.8565 16.0772 16.0772 18.1458 18.1458 19.2506 19.2506 21.8859 21.8859 k = 0.3125 0.6250-0.0000 ( 710 PWs) bands (ev): 4.3149 4.3149 4.3871 4.3871 5.8523 5.8523 6.0589 6.0589 6.6283 6.6283 13.0399 13.0399 16.0018 16.0018 17.9812 17.9812 19.0735 19.0735 21.8198 21.8198 k = 0.3170 0.6339-0.0000 ( 710 PWs) bands (ev): 4.3230 4.3230 4.3843 4.3843 5.8628 5.8628 6.0390 6.0390 6.6485 6.6485 13.2139 13.2139 15.9404 15.9404 17.8223 17.8223 18.8981 18.8981 21.7561 21.7561 k = 0.3214 0.6428-0.0000 ( 710 PWs) bands (ev): 4.3301 4.3301 4.3808 4.3808 5.8749 5.8749 6.0182 6.0182 6.6690 6.6690 13.3761 13.3761 15.8940 15.8940 17.6705 17.6705 18.7244 18.7244 21.6946 21.6946 k = 0.3259 0.6518-0.0000 ( 710 PWs) bands (ev): 4.3358 4.3358 4.3767 4.3767 5.8886 5.8886 5.9972 5.9972 6.6899 6.6899 13.5239 13.5239 15.8630 15.8630 17.5276 17.5276 18.5526 18.5526 21.6354 21.6354 k = 0.3304 0.6607-0.0000 ( 710 PWs) bands (ev): 4.3398 4.3398 4.3718 4.3718 5.9039 5.9039 5.9762 5.9762 6.7111 6.7111 13.6547 13.6547 15.8467 15.8467 17.3968 17.3968 18.3827 18.3827 21.5783 21.5783 k = 0.3348 0.6696-0.0000 ( 710 PWs) bands (ev): 4.3417 4.3417 4.3663 4.3663 5.9207 5.9207 5.9560 5.9560 6.7326 6.7326 13.7666 13.7666 15.8426 15.8426 17.2823 17.2823 18.2148 18.2148 21.5234 21.5234 k = 0.3393 0.6786-0.0000 ( 718 PWs) bands (ev): 4.3412 4.3412 4.3601 4.3601 5.9354 5.9354 5.9406 5.9406 6.7544 6.7544 13.8583 13.8583 15.8450 15.8450 17.1907 17.1907 18.0487 18.0487 21.4703 21.4703 k = 0.3438 0.6875-0.0000 ( 718 PWs) bands (ev): 4.3380 4.3380 4.3533 4.3533 5.9191 5.9191 5.9594 5.9594 6.7765 6.7765 13.9300 13.9300 15.8453 15.8453 17.1307 17.1307 17.8849 17.8849 21.4195 21.4195 k = 0.3482 0.6964-0.0000 ( 726 PWs) bands (ev): 4.3319 4.3319 4.3457 4.3457 5.9040 5.9040 5.9808 5.9808 6.7988 6.7988 13.9831 13.9831 15.8324 15.8324 17.1112 17.1112 17.7231 17.7231 21.3706 21.3706 k = 0.3527 0.7053-0.0000 ( 726 PWs) bands (ev): 4.3226 4.3226 4.3373 4.3373 5.8915 5.8915 6.0036 6.0036 6.8214 6.8214 14.0201 14.0201 15.7977 15.7977 17.1384 17.1384 17.5638 17.5638 21.3237 21.3237 k = 0.3572 0.7143-0.0000 ( 726 PWs) bands (ev): 4.3098 4.3098 4.3284 4.3284 5.8820 5.8820 6.0277 6.0277 6.8442 6.8442 14.0437 14.0437 15.7385 15.7385 17.2121 17.2121 17.4068 17.4068 21.2787 21.2787 k = 0.3616 0.7232-0.0000 ( 726 PWs) bands (ev): 4.2934 4.2934 4.3189 4.3189 5.8760 5.8760 6.0529 6.0529 6.8673 6.8673 14.0569 14.0569 15.6576 15.6576 17.2519 17.2519 17.3265 17.3265 21.2355 21.2355 k = 0.3661 0.7321-0.0000 ( 726 PWs) bands (ev): 4.2733 4.2733 4.3091 4.3091 5.8736 5.8736 6.0791 6.0791 6.8908 6.8908 14.0621 14.0621 15.5605 15.5605 17.1000 17.1000 17.4729 17.4729 21.1942 21.1942 k = 0.3705 0.7411-0.0000 ( 726 PWs) bands (ev): 4.2496 4.2496 4.2988 4.2988 5.8749 5.8749 6.1061 6.1061 6.9145 6.9145 14.0615 14.0615 15.4523 15.4523 16.9505 16.9505 17.6441 17.6441 21.1546 21.1546 k = 0.3750 0.7500-0.0000 ( 726 PWs) bands (ev): 4.2225 4.2225 4.2883 4.2883 5.8801 5.8801 6.1339 6.1339 6.9385 6.9385 14.0568 14.0568 15.3372 15.3372 16.8038 16.8038 17.8340 17.8340 21.1167 21.1167 k = 0.3750 0.7500-0.0000 ( 726 PWs) bands (ev): 4.2225 4.2225 4.2883 4.2883 5.8801 5.8801 6.1339 6.1339 6.9385 6.9385 14.0568 14.0568 15.3372 15.3372 16.8038 16.8038 17.8340 17.8340 21.1167 21.1167 k = 0.3730 0.7460 0.0089 ( 726 PWs) bands (ev): 4.2348 4.2348 4.2933 4.2933 5.8761 5.8761 6.1222 6.1222 6.9280 6.9280 14.0492 14.0492 15.3926 15.3926 16.8656 16.8656 17.7575 17.7575 21.1387 21.1387 k = 0.3710 0.7421 0.0177 ( 726 PWs) bands (ev): 4.2461 4.2461 4.2988 4.2988 5.8702 5.8702 6.1123 6.1123 6.9179 6.9179 14.0238 14.0238 15.4503 15.4503 16.9157 16.9157 17.7106 17.7106 21.1720 21.1720 k = 0.3691 0.7381 0.0266 ( 726 PWs) bands (ev): 4.2560 4.2560 4.3050 4.3050 5.8625 5.8625 6.1044 6.1044 6.9083 6.9083 13.9853 13.9853 15.5045 15.5045 16.9441 16.9441 17.7041 17.7041 21.2166 21.2166 k = 0.3671 0.7341 0.0355 ( 726 PWs) bands (ev): 4.2645 4.2645 4.3116 4.3116 5.8529 5.8529 6.0987 6.0987 6.8993 6.8993 13.9376 13.9376 15.5502 15.5502 16.9451 16.9451 17.7447 17.7447 21.2725 21.2725 k = 0.3651 0.7301 0.0444 ( 726 PWs) bands (ev): 4.2715 4.2715 4.3187 4.3187 5.8418 5.8418 6.0951 6.0951 6.8910 6.8910 13.8837 13.8837 15.5837 15.5837 16.9219 16.9219 17.8299 17.8299 21.3395 21.3395 k = 0.3631 0.7262 0.0532 ( 718 PWs) bands (ev): 4.2770 4.2770 4.3259 4.3259 5.8295 5.8295 6.0937 6.0937 6.8834 6.8834 13.8257 13.8257 15.6030 15.6030 16.8835 16.8835 17.9505 17.9505 21.4177 21.4177 k = 0.3611 0.7222 0.0621 ( 717 PWs) bands (ev): 4.2812 4.2812 4.3330 4.3330 5.8164 5.8164 6.0941 6.0941 6.8765 6.8765 13.7652 13.7652 15.6073 15.6073 16.8381 16.8381 18.0976 18.0976 21.5062 21.5062 k = 0.3591 0.7182 0.0710 ( 717 PWs) bands (ev): 4.2841 4.2841 4.3397 4.3397 5.8030 5.8030 6.0963 6.0963 6.8703 6.8703 13.7033 13.7033 15.5971 15.5971 16.7909 16.7909 18.2645 18.2645 21.6048 21.6048 k = 0.3572 0.7143 0.0799 ( 715 PWs) bands (ev): 4.2858 4.2858 4.3457 4.3457 5.7897 5.7897 6.1000 6.1000 6.8649 6.8649 13.6409 13.6409 15.5736 15.5736 16.7446 16.7446 18.4468 18.4468 21.7131 21.7131 k = 0.3552 0.7103 0.0887 ( 717 PWs) bands (ev): 4.2862 4.2862 4.3510 4.3510 5.7770 5.7770 6.1050 6.1050 6.8603 6.8603 13.5784 13.5784 15.5389 15.5389 16.7001 16.7001 18.6413 18.6413 21.8304 21.8304 k = 0.3532 0.7063 0.0976 ( 717 PWs) bands (ev): 4.2854 4.2854 4.3555 4.3555 5.7652 5.7652 6.1111 6.1111 6.8564 6.8564 13.5163 13.5163 15.4949 15.4949 16.6577 16.6577 18.8454 18.8454 21.9563 21.9563 k = 0.3512 0.7024 0.1065 ( 713 PWs) bands (ev): 4.2831 4.2831 4.3590 4.3590 5.7548 5.7548 6.1181 6.1181 6.8533 6.8533 13.4548 13.4548 15.4440 15.4440 16.6172 16.6172 19.0573 19.0573 22.0904 22.0904 k = 0.3492 0.6984 0.1154 ( 713 PWs) bands (ev): 4.2795 4.2795 4.3618 4.3618 5.7458 5.7458 6.1260 6.1260 6.8509 6.8509 13.3941 13.3941 15.3879 15.3879 16.5781 16.5781 19.2755 19.2755 22.2318 22.2318 k = 0.3472 0.6944 0.1242 ( 713 PWs) bands (ev): 4.2743 4.2743 4.3638 4.3638 5.7387 5.7387 6.1344 6.1344 6.8493 6.8493 13.3344 13.3344 15.3284 15.3284 16.5401 16.5401 19.4985 19.4985 22.3802 22.3802 k = 0.3452 0.6905 0.1331 ( 715 PWs) bands (ev): 4.2675 4.2675 4.3651 4.3651 5.7333 5.7333 6.1433 6.1433 6.8484 6.8484 13.2758 13.2758 15.2670 15.2670 16.5028 16.5028 19.7251 19.7251 22.5350 22.5350 k = 0.3433 0.6865 0.1420 ( 716 PWs) bands (ev): 4.2591 4.2591 4.3657 4.3657 5.7300 5.7300 6.1526 6.1526 6.8483 6.8483 13.2183 13.2183 15.2049 15.2049 16.4662 16.4662 19.9544 19.9544 22.6959 22.6959 k = 0.3413 0.6825 0.1508 ( 716 PWs) bands (ev): 4.2493 4.2493 4.3659 4.3659 5.7286 5.7286 6.1621 6.1621 6.8490 6.8490 13.1621 13.1621 15.1429 15.1429 16.4302 16.4302 20.1852 20.1852 22.8623 22.8623 k = 0.3393 0.6786 0.1597 ( 714 PWs) bands (ev): 4.2379 4.2379 4.3656 4.3656 5.7291 5.7291 6.1716 6.1716 6.8505 6.8505 13.1071 13.1071 15.0819 15.0819 16.3948 16.3948 20.4165 20.4165 23.0338 23.0338 k = 0.3373 0.6746 0.1686 ( 722 PWs) bands (ev): 4.2253 4.2253 4.3649 4.3649 5.7314 5.7314 6.1812 6.1812 6.8527 6.8527 13.0536 13.0536 15.0223 15.0223 16.3600 16.3600 20.6471 20.6471 23.2097 23.2097 k = 0.3353 0.6706 0.1775 ( 718 PWs) bands (ev): 4.2115 4.2115 4.3638 4.3638 5.7354 5.7354 6.1906 6.1906 6.8557 6.8557 13.0016 13.0016 14.9647 14.9647 16.3259 16.3259 20.8760 20.8760 23.3906 23.3906 k = 0.3333 0.6667 0.1863 ( 718 PWs) bands (ev): 4.1967 4.1967 4.3624 4.3624 5.7409 5.7409 6.1998 6.1998 6.8594 6.8594 12.9512 12.9512 14.9094 14.9094 16.2928 16.2928 21.1018 21.1018 23.5751 23.5751 k = 0.3314 0.6627 0.1952 ( 718 PWs) bands (ev): 4.1812 4.1812 4.3606 4.3606 5.7478 5.7478 6.2086 6.2086 6.8638 6.8638 12.9025 12.9025 14.8567 14.8567 16.2607 16.2607 21.3230 21.3230 23.7633 23.7633 k = 0.3294 0.6587 0.2041 ( 726 PWs) bands (ev): 4.1652 4.1652 4.3586 4.3586 5.7557 5.7557 6.2171 6.2171 6.8689 6.8689 12.8557 12.8557 14.8067 14.8067 16.2298 16.2298 21.5377 21.5377 23.9542 23.9542 k = 0.3274 0.6547 0.2130 ( 726 PWs) bands (ev): 4.1489 4.1489 4.3564 4.3564 5.7645 5.7645 6.2253 6.2253 6.8747 6.8747 12.8109 12.8109 14.7595 14.7595 16.2003 16.2003 21.7441 21.7441 24.1486 24.1486 k = 0.3254 0.6508 0.2218 ( 722 PWs) bands (ev): 4.1326 4.1326 4.3539 4.3539 5.7739 5.7739 6.2330 6.2330 6.8810 6.8810 12.7683 12.7683 14.7152 14.7152 16.1724 16.1724 21.9396 21.9396 24.3456 24.3456 k = 0.3234 0.6468 0.2307 ( 726 PWs) bands (ev): 4.1164 4.1164 4.3513 4.3513 5.7836 5.7836 6.2403 6.2403 6.8878 6.8878 12.7281 12.7281 14.6737 14.6737 16.1463 16.1463 22.1211 22.1211 24.5448 24.5448 k = 0.3214 0.6428 0.2396 ( 728 PWs) bands (ev): 4.1005 4.1005 4.3484 4.3484 5.7933 5.7933 6.2472 6.2472 6.8950 6.8950 12.6905 12.6905 14.6352 14.6352 16.1220 16.1220 22.2856 22.2856 24.7458 24.7458 k = 0.3194 0.6389 0.2485 ( 728 PWs) bands (ev): 4.0852 4.0852 4.3454 4.3454 5.8029 5.8029 6.2539 6.2539 6.9025 6.9025 12.6556 12.6556 14.5996 14.5996 16.0998 16.0998 22.4289 22.4289 24.9483 24.9483 k = 0.3175 0.6349 0.2573 ( 728 PWs) bands (ev): 4.0706 4.0706 4.3423 4.3423 5.8120 5.8120 6.2604 6.2604 6.9101 6.9101 12.6236 12.6236 14.5667 14.5667 16.0798 16.0798 22.5470 22.5470 25.1521 25.1521 k = 0.3155 0.6309 0.2662 ( 732 PWs) bands (ev): 4.0568 4.0568 4.3390 4.3390 5.8204 5.8204 6.2668 6.2668 6.9178 6.9178 12.5947 12.5947 14.5366 14.5366 16.0621 16.0621 22.6357 22.6357 25.3567 25.3567 k = 0.3135 0.6270 0.2751 ( 732 PWs) bands (ev): 4.0440 4.0440 4.3357 4.3357 5.8278 5.8278 6.2732 6.2732 6.9255 6.9255 12.5691 12.5691 14.5091 14.5091 16.0469 16.0469 22.6916 22.6916 25.5623 25.5623 k = 0.3115 0.6230 0.2839 ( 732 PWs) bands (ev): 4.0324 4.0324 4.3323 4.3323 5.8340 5.8340 6.2797 6.2797 6.9329 6.9329 12.5470 12.5470 14.4842 14.4842 16.0344 16.0344 22.7119 22.7119 25.7688 25.7688 k = 0.3095 0.6190 0.2928 ( 730 PWs) bands (ev): 4.0219 4.0219 4.3289 4.3289 5.8388 5.8388 6.2865 6.2865 6.9400 6.9400 12.5285 12.5285 14.4618 14.4618 16.0245 16.0245 22.6958 22.6958 25.9766 25.9766 k = 0.3075 0.6151 0.3017 ( 730 PWs) bands (ev): 4.0127 4.0127 4.3254 4.3254 5.8421 5.8421 6.2937 6.2937 6.9467 6.9467 12.5138 12.5138 14.4417 14.4417 16.0175 16.0175 22.6442 22.6442 26.1859 26.1860 k = 0.3056 0.6111 0.3106 ( 730 PWs) bands (ev): 4.0049 4.0049 4.3220 4.3220 5.8436 5.8436 6.3012 6.3012 6.9528 6.9528 12.5029 12.5029 14.4240 14.4240 16.0133 16.0133 22.5595 22.5595 26.3973 26.3973 k = 0.3036 0.6071 0.3194 ( 732 PWs) bands (ev): 3.9984 3.9984 4.3186 4.3186 5.8434 5.8434 6.3093 6.3093 6.9582 6.9582 12.4960 12.4960 14.4084 14.4084 16.0122 16.0122 22.4451 22.4451 26.6112 26.6112 k = 0.3016 0.6032 0.3283 ( 732 PWs) bands (ev): 3.9934 3.9934 4.3153 4.3153 5.8413 5.8413 6.3178 6.3178 6.9630 6.9630 12.4932 12.4932 14.3950 14.3950 16.0141 16.0141 22.3053 22.3053 26.8279 26.8279 k = 0.2996 0.5992 0.3372 ( 724 PWs) bands (ev): 3.9898 3.9898 4.3120 4.3120 5.8375 5.8375 6.3268 6.3268 6.9669 6.9669 12.4945 12.4945 14.3836 14.3836 16.0191 16.0191 22.1442 22.1442 27.0477 27.0477 k = 0.2976 0.5952 0.3461 ( 724 PWs) bands (ev): 3.9876 3.9876 4.3089 4.3089 5.8319 5.8319 6.3362 6.3362 6.9701 6.9701 12.4999 12.4999 14.3740 14.3740 16.0273 16.0273 21.9656 21.9656 27.2702 27.2702 k = 0.2956 0.5913 0.3549 ( 724 PWs) bands (ev): 3.9868 3.9868 4.3059 4.3059 5.8246 5.8246 6.3459 6.3459 6.9723 6.9723 12.5094 12.5094 14.3664 14.3664 16.0388 16.0388 21.7730 21.7730 27.4956 27.4956 k = 0.2937 0.5873 0.3638 ( 723 PWs) bands (ev): 3.9873 3.9873 4.3031 4.3031 5.8158 5.8158 6.3559 6.3559 6.9737 6.9737 12.5230 12.5230 14.3605 14.3605 16.0535 16.0535 21.5693 21.5693 27.7235 27.7235 k = 0.2917 0.5833 0.3727 ( 723 PWs) bands (ev): 3.9891 3.9891 4.3005 4.3005 5.8056 5.8056 6.3661 6.3661 6.9742 6.9742 12.5407 12.5407 14.3563 14.3563 16.0715 16.0715 21.3570 21.3570 27.9536 27.9536 k = 0.2897 0.5793 0.3816 ( 723 PWs) bands (ev): 3.9922 3.9922 4.2981 4.2981 5.7941 5.7941 6.3764 6.3764 6.9738 6.9738 12.5624 12.5624 14.3537 14.3537 16.0928 16.0928 21.1381 21.1381 28.1857 28.1857 k = 0.2877 0.5754 0.3904 ( 725 PWs) bands (ev): 3.9964 3.9964 4.2959 4.2959 5.7816 5.7816 6.3866 6.3866 6.9727 6.9727 12.5879 12.5879 14.3526 14.3526 16.1174 16.1174 20.9145 20.9145 28.4194 28.4194 k = 0.2857 0.5714 0.3993 ( 725 PWs) bands (ev): 4.0015 4.0015 4.2941 4.2941 5.7682 5.7682 6.3968 6.3968 6.9707 6.9707 12.6171 12.6171 14.3530 14.3530 16.1454 16.1454 20.6875 20.6875 28.6546 28.6546 k = 0.2837 0.5674 0.4082 ( 725 PWs) bands (ev): 4.0076 4.0076 4.2925 4.2925 5.7540 5.7540 6.4067 6.4067 6.9681 6.9681 12.6498 12.6498 14.3547 14.3547 16.1766 16.1766 20.4586 20.4586 28.8909 28.8909 k = 0.2817 0.5635 0.4170 ( 727 PWs) bands (ev): 4.0144 4.0144 4.2913 4.2913 5.7392 5.7392 6.4164 6.4164 6.9647 6.9647 12.6859 12.6859 14.3576 14.3576 16.2112 16.2112 20.2287 20.2287 29.1280 29.1280 k = 0.2798 0.5595 0.4259 ( 727 PWs) bands (ev): 4.0218 4.0218 4.2905 4.2905 5.7242 5.7242 6.4258 6.4258 6.9609 6.9609 12.7251 12.7251 14.3617 14.3617 16.2490 16.2490 19.9989 19.9989 29.3658 29.3658 k = 0.2778 0.5555 0.4348 ( 725 PWs) bands (ev): 4.0295 4.0295 4.2901 4.2901 5.7089 5.7089 6.4348 6.4348 6.9566 6.9566 12.7672 12.7672 14.3667 14.3667 16.2900 16.2900 19.7704 19.7704 29.6039 29.6039 k = 0.2758 0.5516 0.4437 ( 719 PWs) bands (ev): 4.0376 4.0376 4.2901 4.2901 5.6937 5.6937 6.4433 6.4433 6.9519 6.9519 12.8119 12.8119 14.3725 14.3725 16.3342 16.3342 19.5438 19.5438 29.8421 29.8421 k = 0.2738 0.5476 0.4525 ( 723 PWs) bands (ev): 4.0456 4.0456 4.2906 4.2906 5.6787 5.6787 6.4513 6.4513 6.9469 6.9469 12.8589 12.8589 14.3789 14.3789 16.3813 16.3813 19.3201 19.3201 30.0799 30.0799 k = 0.2718 0.5436 0.4614 ( 723 PWs) bands (ev): 4.0535 4.0535 4.2915 4.2915 5.6642 5.6642 6.4588 6.4588 6.9418 6.9418 12.9077 12.9077 14.3856 14.3856 16.4315 16.4315 19.1003 19.1003 30.3171 30.3171 k = 0.2698 0.5397 0.4703 ( 723 PWs) bands (ev): 4.0611 4.0611 4.2928 4.2928 5.6502 5.6502 6.4657 6.4657 6.9366 6.9366 12.9580 12.9580 14.3924 14.3924 16.4845 16.4845 18.8855 18.8855 30.5530 30.5530 k = 0.2679 0.5357 0.4792 ( 721 PWs) bands (ev): 4.0683 4.0683 4.2945 4.2945 5.6370 5.6370 6.4720 6.4720 6.9315 6.9315 13.0094 13.0094 14.3989 14.3989 16.5401 16.5401 18.6769 18.6769 30.7872 30.7872 k = 0.2659 0.5317 0.4880 ( 721 PWs) bands (ev): 4.0748 4.0748 4.2966 4.2966 5.6248 5.6248 6.4777 6.4777 6.9265 6.9265 13.0612 13.0612 14.4047 14.4047 16.5980 16.5980 18.4757 18.4757 31.0186 31.0186 k = 0.2639 0.5278 0.4969 ( 725 PWs) bands (ev): 4.0807 4.0807 4.2988 4.2988 5.6137 5.6137 6.4828 6.4828 6.9218 6.9218 13.1127 13.1127 14.4093 14.4093 16.6580 16.6580 18.2835 18.2835 31.2461 31.2461 k = 0.2619 0.5238 0.5058 ( 725 PWs) bands (ev): 4.0857 4.0857 4.3012 4.3012 5.6038 5.6038 6.4872 6.4872 6.9175 6.9175 13.1632 13.1632 14.4124 14.4124 16.7193 16.7193 18.1025 18.1025 31.4680 31.4680 k = 0.2599 0.5198 0.5147 ( 722 PWs) bands (ev): 4.0900 4.0900 4.3036 4.3036 5.5954 5.5954 6.4909 6.4909 6.9136 6.9136 13.2117 13.2117 14.4137 14.4137 16.7812 16.7812 17.9348 17.9348 31.6817 31.6817 k = 0.2579 0.5159 0.5235 ( 720 PWs) bands (ev): 4.0935 4.0935 4.3059 4.3059 5.5884 5.5884 6.4939 6.4939 6.9103 6.9103 13.2567 13.2567 14.4128 14.4128 16.8421 16.8421 17.7838 17.7838 31.8826 31.8826 k = 0.2560 0.5119 0.5324 ( 720 PWs) bands (ev): 4.0961 4.0961 4.3078 4.3078 5.5830 5.5830 6.4962 6.4962 6.9076 6.9076 13.2965 13.2965 14.4098 14.4098 16.8991 16.8991 17.6538 17.6538 32.0633 32.0633 k = 0.2540 0.5079 0.5413 ( 720 PWs) bands (ev): 4.0980 4.0980 4.3093 4.3093 5.5791 5.5791 6.4979 6.4979 6.9056 6.9056 13.3288 13.3288 14.4055 14.4055 16.9475 16.9475 17.5515 17.5515 32.2114 32.2114 k = 0.2520 0.5039 0.5501 ( 720 PWs) bands (ev): 4.0991 4.0991 4.3102 4.3102 5.5768 5.5768 6.4989 6.4989 6.9044 6.9044 13.3508 13.3508 14.4011 14.4011 16.9799 16.9799 17.4859 17.4859 32.3091 32.3091 k = 0.2500 0.5000 0.5590 ( 720 PWs) bands (ev): 4.0995 4.0995 4.3105 4.3105 5.5761 5.5761 6.4993 6.4993 6.9040 6.9040 13.3591 13.3591 14.3989 14.3989 16.9898 16.9898 17.4647 17.4647 32.3418 32.3418 k = 0.2500 0.5000 0.5590 ( 720 PWs) bands (ev): 4.0995 4.0995 4.3105 4.3105 5.5761 5.5761 6.4993 6.4993 6.9040 6.9040 13.3591 13.3591 14.3989 14.3989 16.9898 16.9898 17.4647 17.4647 32.3418 32.3418 k = 0.2437 0.5031 0.5520 ( 720 PWs) bands (ev): 4.0989 4.0989 4.3100 4.3100 5.5770 5.5770 6.4990 6.4990 6.9048 6.9048 13.3585 13.3585 14.3909 14.3909 16.9946 16.9946 17.4732 17.4732 32.3047 32.3047 k = 0.2375 0.5062 0.5450 ( 720 PWs) bands (ev): 4.0974 4.0974 4.3085 4.3085 5.5796 5.5796 6.4981 6.4981 6.9074 6.9074 13.3567 13.3567 14.3675 14.3675 17.0090 17.0090 17.4985 17.4985 32.2072 32.2072 k = 0.2313 0.5094 0.5381 ( 720 PWs) bands (ev): 4.0947 4.0947 4.3059 4.3059 5.5839 5.5839 6.4967 6.4967 6.9116 6.9116 13.3536 13.3536 14.3294 14.3294 17.0326 17.0326 17.5400 17.5400 32.0740 32.0740 k = 0.2250 0.5125 0.5311 ( 720 PWs) bands (ev): 4.0911 4.0911 4.3024 4.3024 5.5899 5.5899 6.4948 6.4948 6.9174 6.9174 13.3494 13.3494 14.2779 14.2779 17.0649 17.0649 17.5968 17.5968 31.9219 31.9219 k = 0.2188 0.5156 0.5241 ( 724 PWs) bands (ev): 4.0866 4.0866 4.2979 4.2979 5.5974 5.5974 6.4927 6.4927 6.9246 6.9246 13.3441 13.3441 14.2146 14.2146 17.1053 17.1053 17.6678 17.6678 31.7601 31.7601 k = 0.2125 0.5187 0.5171 ( 724 PWs) bands (ev): 4.0812 4.0812 4.2925 4.2925 5.6065 5.6065 6.4903 6.4903 6.9331 6.9331 13.3379 13.3379 14.1413 14.1413 17.1533 17.1533 17.7515 17.7515 31.5937 31.5937 k = 0.2062 0.5219 0.5101 ( 724 PWs) bands (ev): 4.0749 4.0749 4.2861 4.2861 5.6170 5.6170 6.4879 6.4879 6.9428 6.9428 13.3307 13.3307 14.0595 14.0595 17.2086 17.2086 17.8466 17.8466 31.4252 31.4252 k = 0.2000 0.5250 0.5031 ( 720 PWs) bands (ev): 4.0680 4.0680 4.2788 4.2788 5.6288 5.6288 6.4856 6.4856 6.9536 6.9536 13.3227 13.3227 13.9709 13.9709 17.2709 17.2709 17.9516 17.9516 31.2563 31.2563 k = 0.1938 0.5281 0.4961 ( 726 PWs) bands (ev): 4.0603 4.0603 4.2706 4.2706 5.6418 5.6418 6.4836 6.4836 6.9653 6.9653 13.3139 13.3139 13.8769 13.8769 17.3398 17.3398 18.0649 18.0649 31.0877 31.0877 k = 0.1875 0.5312 0.4891 ( 724 PWs) bands (ev): 4.0520 4.0520 4.2617 4.2617 5.6558 5.6558 6.4820 6.4820 6.9778 6.9778 13.3045 13.3045 13.7787 13.7787 17.4152 17.4152 18.1856 18.1856 30.9205 30.9205 k = 0.1812 0.5344 0.4822 ( 724 PWs) bands (ev): 4.0432 4.0432 4.2520 4.2520 5.6707 5.6707 6.4810 6.4810 6.9910 6.9910 13.2943 13.2943 13.6776 13.6776 17.4968 17.4968 18.3123 18.3123 30.7546 30.7546 k = 0.1750 0.5375 0.4752 ( 724 PWs) bands (ev): 4.0340 4.0340 4.2416 4.2416 5.6862 5.6862 6.4807 6.4807 7.0047 7.0047 13.2832 13.2832 13.5748 13.5748 17.5842 17.5842 18.4441 18.4441 30.5906 30.5906 k = 0.1688 0.5406 0.4682 ( 724 PWs) bands (ev): 4.0244 4.0244 4.2306 4.2306 5.7023 5.7023 6.4812 6.4812 7.0188 7.0188 13.2703 13.2703 13.4721 13.4721 17.6773 17.6773 18.5802 18.5802 30.4285 30.4285 k = 0.1625 0.5437 0.4612 ( 724 PWs) bands (ev): 4.0144 4.0144 4.2192 4.2192 5.7186 5.7186 6.4827 6.4827 7.0333 7.0333 13.2522 13.2522 13.3737 13.3737 17.7758 17.7758 18.7198 18.7198 30.2683 30.2683 k = 0.1562 0.5469 0.4542 ( 724 PWs) bands (ev): 4.0042 4.0042 4.2074 4.2074 5.7351 5.7351 6.4853 6.4853 7.0481 7.0481 13.2107 13.2107 13.2984 13.2984 17.8792 17.8792 18.8622 18.8622 30.1102 30.1102 k = 0.1500 0.5500 0.4472 ( 726 PWs) bands (ev): 3.9938 3.9938 4.1952 4.1952 5.7515 5.7515 6.4890 6.4890 7.0631 7.0631 13.1264 13.1264 13.2662 13.2662 17.9874 17.9874 19.0069 19.0069 29.9538 29.9538 k = 0.1437 0.5531 0.4402 ( 720 PWs) bands (ev): 3.9832 3.9832 4.1829 4.1829 5.7676 5.7676 6.4940 6.4940 7.0782 7.0782 13.0268 13.0268 13.2505 13.2505 18.1000 18.1000 19.1533 19.1533 29.7991 29.7991 k = 0.1375 0.5562 0.4332 ( 720 PWs) bands (ev): 3.9725 3.9725 4.1704 4.1704 5.7833 5.7833 6.5003 6.5003 7.0934 7.0934 12.9245 12.9245 13.2386 13.2386 18.2164 18.2164 19.3009 19.3009 29.6451 29.6451 k = 0.1313 0.5594 0.4263 ( 718 PWs) bands (ev): 3.9617 3.9617 4.1580 4.1580 5.7984 5.7984 6.5079 6.5079 7.1087 7.1087 12.8226 12.8226 13.2282 13.2282 18.3365 18.3365 19.4492 19.4492 29.4907 29.4907 k = 0.1250 0.5625 0.4193 ( 718 PWs) bands (ev): 3.9510 3.9510 4.1457 4.1457 5.8127 5.8127 6.5168 6.5168 7.1238 7.1238 12.7221 12.7221 13.2188 13.2188 18.4596 18.4596 19.5978 19.5978 29.3319 29.3319 k = 0.1187 0.5656 0.4123 ( 718 PWs) bands (ev): 3.9402 3.9402 4.1336 4.1336 5.8261 5.8261 6.5270 6.5270 7.1390 7.1390 12.6236 12.6236 13.2100 13.2100 18.5853 18.5853 19.7462 19.7462 29.1605 29.1605 k = 0.1125 0.5687 0.4053 ( 720 PWs) bands (ev): 3.9296 3.9296 4.1217 4.1217 5.8386 5.8386 6.5383 6.5383 7.1539 7.1539 12.5275 12.5275 13.2017 13.2017 18.7132 18.7132 19.8940 19.8940 28.9648 28.9648 k = 0.1062 0.5719 0.3983 ( 720 PWs) bands (ev): 3.9191 3.9191 4.1102 4.1102 5.8501 5.8501 6.5507 6.5507 7.1688 7.1688 12.4342 12.4342 13.1940 13.1940 18.8425 18.8425 20.0409 20.0409 28.7466 28.7466 k = 0.1000 0.5750 0.3913 ( 720 PWs) bands (ev): 3.9087 3.9087 4.0992 4.0992 5.8605 5.8605 6.5640 6.5640 7.1834 7.1834 12.3440 12.3440 13.1867 13.1867 18.9728 18.9728 20.1863 20.1863 28.5185 28.5185 k = 0.0938 0.5781 0.3843 ( 720 PWs) bands (ev): 3.8986 3.8986 4.0886 4.0886 5.8699 5.8699 6.5780 6.5780 7.1977 7.1977 12.2573 12.2573 13.1800 13.1800 19.1033 19.1033 20.3298 20.3298 28.2886 28.2886 k = 0.0875 0.5812 0.3773 ( 720 PWs) bands (ev): 3.8888 3.8888 4.0786 4.0786 5.8783 5.8783 6.5925 6.5925 7.2118 7.2118 12.1743 12.1743 13.1737 13.1737 19.2332 19.2332 20.4709 20.4709 28.0611 28.0611 k = 0.0813 0.5844 0.3704 ( 722 PWs) bands (ev): 3.8793 3.8793 4.0692 4.0692 5.8857 5.8857 6.6073 6.6073 7.2254 7.2254 12.0954 12.0954 13.1680 13.1680 19.3617 19.3617 20.6090 20.6090 27.8382 27.8382 k = 0.0750 0.5875 0.3634 ( 728 PWs) bands (ev): 3.8702 3.8702 4.0604 4.0604 5.8922 5.8922 6.6222 6.6222 7.2387 7.2387 12.0208 12.0208 13.1626 13.1626 19.4878 19.4878 20.7436 20.7436 27.6213 27.6213 k = 0.0688 0.5906 0.3564 ( 728 PWs) bands (ev): 3.8616 3.8616 4.0523 4.0523 5.8978 5.8978 6.6368 6.6368 7.2514 7.2514 11.9508 11.9508 13.1578 13.1578 19.6107 19.6107 20.8740 20.8740 27.4120 27.4120 k = 0.0625 0.5937 0.3494 ( 728 PWs) bands (ev): 3.8535 3.8535 4.0448 4.0448 5.9027 5.9027 6.6511 6.6511 7.2635 7.2635 11.8858 11.8858 13.1535 13.1535 19.7290 19.7290 20.9995 20.9995 27.2117 27.2117 k = 0.0563 0.5969 0.3424 ( 726 PWs) bands (ev): 3.8459 3.8459 4.0381 4.0381 5.9068 5.9068 6.6647 6.6647 7.2750 7.2750 11.8259 11.8259 13.1495 13.1495 19.8417 19.8417 21.1191 21.1191 27.0217 27.0217 k = 0.0500 0.6000 0.3354 ( 732 PWs) bands (ev): 3.8390 3.8390 4.0320 4.0320 5.9103 5.9103 6.6774 6.6774 7.2856 7.2856 11.7716 11.7716 13.1461 13.1461 19.9475 19.9475 21.2319 21.2319 26.8435 26.8435 k = 0.0437 0.6031 0.3284 ( 732 PWs) bands (ev): 3.8328 3.8328 4.0267 4.0267 5.9132 5.9132 6.6891 6.6891 7.2954 7.2954 11.7229 11.7229 13.1430 13.1430 20.0451 20.0451 21.3368 21.3368 26.6792 26.6792 k = 0.0375 0.6062 0.3214 ( 728 PWs) bands (ev): 3.8273 3.8273 4.0221 4.0221 5.9156 5.9156 6.6996 6.6996 7.3041 7.3041 11.6801 11.6801 13.1405 13.1405 20.1332 20.1332 21.4324 21.4324 26.5305 26.5305 k = 0.0312 0.6094 0.3144 ( 728 PWs) bands (ev): 3.8226 3.8226 4.0181 4.0181 5.9176 5.9176 6.7087 6.7087 7.3118 7.3118 11.6436 11.6436 13.1383 13.1383 20.2103 20.2103 21.5172 21.5172 26.3995 26.3995 k = 0.0250 0.6125 0.3075 ( 728 PWs) bands (ev): 3.8186 3.8186 4.0149 4.0149 5.9191 5.9191 6.7163 6.7163 7.3182 7.3182 11.6134 11.6134 13.1364 13.1364 20.2754 20.2754 21.5898 21.5898 26.2883 26.2883 k = 0.0187 0.6156 0.3005 ( 728 PWs) bands (ev): 3.8156 3.8156 4.0124 4.0124 5.9203 5.9203 6.7224 6.7224 7.3233 7.3233 11.5897 11.5897 13.1351 13.1351 20.3274 20.3274 21.6483 21.6483 26.1991 26.1991 k = 0.0125 0.6187 0.2935 ( 730 PWs) bands (ev): 3.8133 3.8133 4.0107 4.0107 5.9211 5.9211 6.7267 6.7267 7.3270 7.3270 11.5727 11.5727 13.1341 13.1341 20.3652 20.3652 21.6915 21.6915 26.1336 26.1336 k = 0.0063 0.6219 0.2865 ( 734 PWs) bands (ev): 3.8120 3.8120 4.0096 4.0096 5.9215 5.9215 6.7294 6.7294 7.3292 7.3292 11.5625 11.5625 13.1335 13.1335 20.3881 20.3881 21.7180 21.7180 26.0935 26.0935 k = 0.0000 0.6250 0.2795 ( 734 PWs) bands (ev): 3.8116 3.8116 4.0092 4.0092 5.9217 5.9217 6.7302 6.7302 7.3300 7.3300 11.5590 11.5590 13.1333 13.1333 20.3958 20.3958 21.7269 21.7269 26.0801 26.0801 k = 0.0000 0.6250 0.2795 ( 734 PWs) bands (ev): 3.8116 3.8116 4.0092 4.0092 5.9217 5.9217 6.7302 6.7302 7.3300 7.3300 11.5590 11.5590 13.1333 13.1333 20.3958 20.3958 21.7269 21.7269 26.0801 26.0801 k =-0.0077 0.6224 0.2852 ( 734 PWs) bands (ev): 3.8122 3.8122 4.0098 4.0098 5.9213 5.9213 6.7297 6.7297 7.3284 7.3284 11.5626 11.5626 13.1337 13.1337 20.3920 20.3920 21.7212 21.7212 26.0885 26.0885 k =-0.0153 0.6199 0.2909 ( 730 PWs) bands (ev): 3.8143 3.8143 4.0116 4.0116 5.9200 5.9200 6.7280 6.7280 7.3237 7.3237 11.5732 11.5732 13.1351 13.1351 20.3805 20.3805 21.7044 21.7044 26.1136 26.1136 k =-0.0230 0.6173 0.2966 ( 728 PWs) bands (ev): 3.8176 3.8176 4.0145 4.0145 5.9178 5.9178 6.7253 6.7253 7.3160 7.3160 11.5907 11.5907 13.1374 13.1374 20.3614 20.3614 21.6767 21.6767 26.1549 26.1549 k =-0.0306 0.6148 0.3023 ( 726 PWs) bands (ev): 3.8223 3.8223 4.0185 4.0185 5.9149 5.9149 6.7214 6.7214 7.3053 7.3053 11.6151 11.6151 13.1407 13.1407 20.3350 20.3350 21.6388 21.6388 26.2116 26.2116 k =-0.0383 0.6122 0.3080 ( 728 PWs) bands (ev): 3.8283 3.8283 4.0237 4.0237 5.9110 5.9110 6.7164 6.7164 7.2919 7.2919 11.6461 11.6461 13.1449 13.1449 20.3015 20.3015 21.5914 21.5914 26.2827 26.2827 k =-0.0459 0.6097 0.3137 ( 724 PWs) bands (ev): 3.8356 3.8356 4.0300 4.0300 5.9064 5.9064 6.7103 6.7103 7.2759 7.2759 11.6836 11.6836 13.1502 13.1502 20.2611 20.2611 21.5354 21.5354 26.3672 26.3672 k =-0.0536 0.6071 0.3194 ( 724 PWs) bands (ev): 3.8442 3.8442 4.0374 4.0374 5.9010 5.9010 6.7030 6.7030 7.2577 7.2577 11.7272 11.7272 13.1567 13.1567 20.2143 20.2143 21.4718 21.4718 26.4631 26.4631 k =-0.0612 0.6046 0.3251 ( 724 PWs) bands (ev): 3.8539 3.8539 4.0457 4.0457 5.8949 5.8949 6.6946 6.6946 7.2374 7.2374 11.7766 11.7766 13.1644 13.1644 20.1613 20.1613 21.4013 21.4013 26.5687 26.5687 k =-0.0689 0.6020 0.3308 ( 721 PWs) bands (ev): 3.8649 3.8649 4.0551 4.0551 5.8880 5.8880 6.6850 6.6850 7.2154 7.2154 11.8316 11.8316 13.1735 13.1735 20.1025 20.1025 21.3251 21.3251 26.6816 26.6816 k =-0.0765 0.5995 0.3366 ( 725 PWs) bands (ev): 3.8769 3.8769 4.0654 4.0654 5.8805 5.8805 6.6743 6.6743 7.1920 7.1920 11.8917 11.8917 13.1841 13.1841 20.0383 20.0383 21.2439 21.2439 26.7979 26.7980 k =-0.0842 0.5969 0.3423 ( 719 PWs) bands (ev): 3.8901 3.8901 4.0767 4.0767 5.8724 5.8724 6.6623 6.6623 7.1675 7.1675 11.9565 11.9565 13.1964 13.1964 19.9690 19.9690 21.1587 21.1587 26.9122 26.9122 k =-0.0918 0.5944 0.3480 ( 721 PWs) bands (ev): 3.9042 3.9042 4.0887 4.0887 5.8637 5.8637 6.6491 6.6491 7.1423 7.1423 12.0256 12.0256 13.2107 13.2107 19.8950 19.8950 21.0701 21.0701 27.0135 27.0135 k =-0.0995 0.5918 0.3537 ( 721 PWs) bands (ev): 3.9193 3.9193 4.1015 4.1015 5.8545 5.8545 6.6346 6.6346 7.1167 7.1167 12.0985 12.0985 13.2272 13.2272 19.8166 19.8166 20.9789 20.9789 27.0834 27.0834 k =-0.1071 0.5893 0.3594 ( 721 PWs) bands (ev): 3.9353 3.9353 4.1150 4.1150 5.8450 5.8450 6.6188 6.6188 7.0910 7.0910 12.1746 12.1746 13.2462 13.2462 19.7340 19.7340 20.8857 20.8857 27.0938 27.0938 k =-0.1148 0.5867 0.3651 ( 719 PWs) bands (ev): 3.9520 3.9520 4.1291 4.1291 5.8351 5.8351 6.6017 6.6017 7.0655 7.0655 12.2533 12.2533 13.2683 13.2683 19.6476 19.6476 20.7911 20.7911 27.0220 27.0220 k =-0.1225 0.5842 0.3708 ( 717 PWs) bands (ev): 3.9695 3.9695 4.1437 4.1437 5.8249 5.8249 6.5832 6.5832 7.0406 7.0406 12.3339 12.3339 13.2938 13.2938 19.5577 19.5577 20.6955 20.6955 26.8754 26.8754 k =-0.1301 0.5816 0.3765 ( 715 PWs) bands (ev): 3.9876 3.9876 4.1587 4.1587 5.8147 5.8147 6.5634 6.5634 7.0165 7.0165 12.4156 12.4156 13.3235 13.3235 19.4643 19.4643 20.5993 20.5993 26.6796 26.6796 k =-0.1378 0.5791 0.3822 ( 719 PWs) bands (ev): 4.0062 4.0062 4.1740 4.1740 5.8044 5.8044 6.5423 6.5423 6.9934 6.9934 12.4975 12.4975 13.3579 13.3579 19.3678 19.3678 20.5028 20.5028 26.4558 26.4558 k =-0.1454 0.5765 0.3879 ( 719 PWs) bands (ev): 4.0253 4.0253 4.1895 4.1895 5.7943 5.7943 6.5199 6.5199 6.9716 6.9716 12.5785 12.5785 13.3981 13.3981 19.2685 19.2685 20.4063 20.4063 26.2165 26.2165 k =-0.1531 0.5740 0.3936 ( 719 PWs) bands (ev): 4.0446 4.0446 4.2051 4.2051 5.7843 5.7843 6.4964 6.4964 6.9511 6.9511 12.6577 12.6577 13.4449 13.4449 19.1665 19.1665 20.3100 20.3100 25.9684 25.9684 k =-0.1607 0.5714 0.3993 ( 717 PWs) bands (ev): 4.0642 4.0642 4.2206 4.2206 5.7748 5.7748 6.4718 6.4718 6.9321 6.9321 12.7339 12.7339 13.4993 13.4993 19.0621 19.0621 20.2140 20.2140 25.7157 25.7157 k =-0.1684 0.5689 0.4050 ( 717 PWs) bands (ev): 4.0838 4.0838 4.2360 4.2360 5.7657 5.7657 6.4464 6.4464 6.9147 6.9147 12.8062 12.8062 13.5619 13.5619 18.9554 18.9554 20.1183 20.1183 25.4608 25.4608 k =-0.1760 0.5663 0.4107 ( 721 PWs) bands (ev): 4.1033 4.1033 4.2511 4.2511 5.7573 5.7573 6.4204 6.4204 6.8988 6.8988 12.8741 12.8741 13.6333 13.6333 18.8468 18.8468 20.0229 20.0229 25.2054 25.2054 k =-0.1837 0.5638 0.4164 ( 722 PWs) bands (ev): 4.1226 4.1226 4.2657 4.2657 5.7497 5.7497 6.3939 6.3939 6.8845 6.8845 12.9373 12.9373 13.7135 13.7135 18.7366 18.7366 19.9276 19.9276 24.9510 24.9510 k =-0.1913 0.5612 0.4221 ( 722 PWs) bands (ev): 4.1416 4.1416 4.2797 4.2797 5.7430 5.7430 6.3672 6.3672 6.8717 6.8717 12.9960 12.9960 13.8022 13.8022 18.6249 18.6249 19.8324 19.8324 24.6987 24.6987 k =-0.1990 0.5587 0.4278 ( 722 PWs) bands (ev): 4.1601 4.1601 4.2931 4.2931 5.7374 5.7374 6.3405 6.3405 6.8604 6.8604 13.0508 13.0508 13.8986 13.8986 18.5122 18.5122 19.7369 19.7369 24.4494 24.4494 k =-0.2066 0.5561 0.4335 ( 720 PWs) bands (ev): 4.1780 4.1780 4.3056 4.3056 5.7330 5.7330 6.3140 6.3140 6.8506 6.8506 13.1024 13.1024 14.0020 14.0020 18.3986 18.3986 19.6410 19.6410 24.2040 24.2040 k =-0.2143 0.5536 0.4392 ( 720 PWs) bands (ev): 4.1951 4.1951 4.3171 4.3171 5.7299 5.7299 6.2880 6.2880 6.8422 6.8422 13.1515 13.1515 14.1112 14.1112 18.2845 18.2845 19.5441 19.5441 23.9634 23.9634 k =-0.2219 0.5510 0.4449 ( 720 PWs) bands (ev): 4.2112 4.2112 4.3276 4.3276 5.7282 5.7282 6.2626 6.2626 6.8351 6.8351 13.1989 13.1989 14.2253 14.2253 18.1702 18.1702 19.4461 19.4461 23.7284 23.7284 k =-0.2296 0.5485 0.4506 ( 717 PWs) bands (ev): 4.2264 4.2264 4.3369 4.3369 5.7280 5.7280 6.2381 6.2381 6.8294 6.8294 13.2453 13.2453 14.3433 14.3433 18.0561 18.0561 19.3464 19.3464 23.4999 23.4999 k =-0.2373 0.5459 0.4563 ( 717 PWs) bands (ev): 4.2403 4.2403 4.3449 4.3449 5.7293 5.7293 6.2147 6.2147 6.8251 6.8251 13.2911 13.2911 14.4644 14.4644 17.9427 17.9427 19.2446 19.2446 23.2785 23.2785 k =-0.2449 0.5433 0.4620 ( 714 PWs) bands (ev): 4.2529 4.2529 4.3516 4.3516 5.7322 5.7322 6.1925 6.1925 6.8219 6.8219 13.3370 13.3370 14.5877 14.5877 17.8303 17.8303 19.1403 19.1403 23.0652 23.0652 k =-0.2526 0.5408 0.4678 ( 714 PWs) bands (ev): 4.2641 4.2641 4.3569 4.3569 5.7367 5.7367 6.1717 6.1717 6.8201 6.8201 13.3830 13.3830 14.7122 14.7122 17.7195 17.7195 19.0330 19.0330 22.8605 22.8605 k =-0.2602 0.5382 0.4735 ( 711 PWs) bands (ev): 4.2738 4.2738 4.3608 4.3608 5.7426 5.7426 6.1525 6.1525 6.8195 6.8195 13.4297 13.4297 14.8369 14.8369 17.6111 17.6111 18.9226 18.9226 22.6657 22.6657 k =-0.2679 0.5357 0.4792 ( 711 PWs) bands (ev): 4.2819 4.2819 4.3631 4.3631 5.7500 5.7500 6.1351 6.1351 6.8201 6.8201 13.4770 13.4770 14.9606 14.9606 17.5059 17.5059 18.8087 18.8087 22.4809 22.4809 k =-0.2755 0.5331 0.4849 ( 711 PWs) bands (ev): 4.2885 4.2885 4.3640 4.3640 5.7587 5.7587 6.1194 6.1194 6.8219 6.8219 13.5251 13.5251 15.0819 15.0819 17.4049 17.4049 18.6912 18.6912 22.3071 22.3071 k =-0.2832 0.5306 0.4906 ( 711 PWs) bands (ev): 4.2935 4.2935 4.3635 4.3635 5.7686 5.7686 6.1058 6.1058 6.8248 6.8248 13.5739 13.5739 15.1990 15.1990 17.3097 17.3097 18.5703 18.5703 22.1447 22.1447 k =-0.2908 0.5280 0.4963 ( 711 PWs) bands (ev): 4.2968 4.2968 4.3614 4.3614 5.7793 5.7793 6.0942 6.0942 6.8290 6.8290 13.6236 13.6236 15.3095 15.3095 17.2222 17.2222 18.4463 18.4463 21.9943 21.9943 k =-0.2985 0.5255 0.5020 ( 713 PWs) bands (ev): 4.2986 4.2986 4.3580 4.3580 5.7908 5.7908 6.0850 6.0850 6.8342 6.8342 13.6738 13.6738 15.4102 15.4102 17.1449 17.1449 18.3199 18.3199 21.8560 21.8560 k =-0.3061 0.5229 0.5077 ( 713 PWs) bands (ev): 4.2989 4.2989 4.3532 4.3532 5.8026 5.8026 6.0781 6.0781 6.8405 6.8405 13.7243 13.7243 15.4970 15.4970 17.0813 17.0813 18.1924 18.1924 21.7300 21.7300 k =-0.3138 0.5204 0.5134 ( 717 PWs) bands (ev): 4.2976 4.2976 4.3472 4.3472 5.8145 5.8145 6.0737 6.0737 6.8479 6.8479 13.7749 13.7749 15.5653 15.5653 17.0345 17.0345 18.0655 18.0655 21.6162 21.6162 k =-0.3214 0.5178 0.5191 ( 719 PWs) bands (ev): 4.2948 4.2948 4.3402 4.3402 5.8261 5.8261 6.0721 6.0721 6.8564 6.8564 13.8249 13.8249 15.6103 15.6103 17.0076 17.0076 17.9422 17.9422 21.5147 21.5147 k =-0.3291 0.5153 0.5248 ( 719 PWs) bands (ev): 4.2903 4.2903 4.3324 4.3324 5.8371 5.8371 6.0732 6.0732 6.8658 6.8658 13.8738 13.8738 15.6290 15.6290 17.0001 17.0001 17.8271 17.8271 21.4250 21.4250 k =-0.3367 0.5127 0.5305 ( 726 PWs) bands (ev): 4.2839 4.2839 4.3243 4.3243 5.8471 5.8471 6.0771 6.0771 6.8761 6.8761 13.9204 13.9204 15.6209 15.6209 17.0058 17.0058 17.7281 17.7281 21.3467 21.3467 k =-0.3444 0.5102 0.5362 ( 726 PWs) bands (ev): 4.2756 4.2756 4.3162 4.3162 5.8561 5.8561 6.0838 6.0838 6.8872 6.8872 13.9636 13.9636 15.5890 15.5890 17.0111 17.0111 17.6580 17.6580 21.2799 21.2799 k =-0.3520 0.5076 0.5419 ( 726 PWs) bands (ev): 4.2651 4.2651 4.3085 4.3085 5.8638 5.8638 6.0932 6.0932 6.8991 6.8991 14.0016 14.0016 15.5385 15.5385 16.9971 16.9971 17.6329 17.6329 21.2238 21.2238 k =-0.3597 0.5051 0.5476 ( 726 PWs) bands (ev): 4.2526 4.2526 4.3013 4.3013 5.8703 5.8703 6.1049 6.1049 6.9117 6.9117 14.0320 14.0320 15.4755 15.4755 16.9529 16.9529 17.6603 17.6603 21.1782 21.1782 k =-0.3674 0.5025 0.5533 ( 726 PWs) bands (ev): 4.2383 4.2383 4.2946 4.2946 5.8757 5.8757 6.1186 6.1186 6.9249 6.9249 14.0517 14.0517 15.4063 15.4063 16.8844 16.8844 17.7321 17.7321 21.1426 21.1426 k =-0.3750 0.5000 0.5590 ( 726 PWs) bands (ev): 4.2225 4.2225 4.2883 4.2883 5.8801 5.8801 6.1339 6.1339 6.9385 6.9385 14.0568 14.0568 15.3372 15.3372 16.8038 16.8038 17.8340 17.8340 21.1167 21.1167 k =-0.3750 0.5000 0.5590 ( 726 PWs) bands (ev): 4.2225 4.2225 4.2883 4.2883 5.8801 5.8801 6.1339 6.1339 6.9385 6.9385 14.0568 14.0568 15.3372 15.3372 16.8038 16.8038 17.8340 17.8340 21.1167 21.1167 k =-0.3795 0.4911 0.5590 ( 726 PWs) bands (ev): 4.1921 4.1921 4.2775 4.2775 5.8889 5.8889 6.1622 6.1622 6.9630 6.9630 14.0494 14.0494 15.2180 15.2180 16.6599 16.6599 18.0381 18.0381 21.0806 21.0806 k =-0.3839 0.4821 0.5590 ( 726 PWs) bands (ev): 4.1589 4.1589 4.2665 4.2665 5.9013 5.9013 6.1908 6.1908 6.9877 6.9877 14.0401 14.0401 15.0969 15.0969 16.5189 16.5189 18.2532 18.2532 21.0460 21.0460 k =-0.3884 0.4732 0.5590 ( 726 PWs) bands (ev): 4.1231 4.1231 4.2553 4.2553 5.9170 5.9170 6.2196 6.2196 7.0129 7.0129 14.0298 14.0298 14.9752 14.9752 16.3811 16.3811 18.4769 18.4769 21.0131 21.0131 k =-0.3929 0.4643 0.5590 ( 726 PWs) bands (ev): 4.0852 4.0852 4.2441 4.2441 5.9358 5.9358 6.2484 6.2484 7.0384 7.0384 14.0189 14.0189 14.8540 14.8540 16.2465 16.2465 18.7075 18.7075 20.9818 20.9818 k =-0.3973 0.4553 0.5590 ( 726 PWs) bands (ev): 4.0456 4.0456 4.2329 4.2329 5.9573 5.9573 6.2770 6.2770 7.0643 7.0643 14.0079 14.0079 14.7342 14.7342 16.1152 16.1152 18.9435 18.9435 20.9520 20.9520 k =-0.4018 0.4464 0.5590 ( 726 PWs) bands (ev): 4.0047 4.0047 4.2216 4.2216 5.9813 5.9813 6.3052 6.3052 7.0907 7.0907 13.9971 13.9971 14.6162 14.6162 15.9874 15.9874 19.1838 19.1838 20.9237 20.9237 k =-0.4063 0.4375 0.5590 ( 726 PWs) bands (ev): 3.9630 3.9630 4.2105 4.2105 6.0073 6.0073 6.3329 6.3329 7.1173 7.1173 13.9865 13.9865 14.5007 14.5007 15.8633 15.8633 19.4276 19.4276 20.8969 20.8969 k =-0.4107 0.4286 0.5590 ( 726 PWs) bands (ev): 3.9208 3.9208 4.1996 4.1996 6.0350 6.0350 6.3599 6.3599 7.1443 7.1443 13.9764 13.9764 14.3879 14.3879 15.7431 15.7431 19.6740 19.6740 20.8716 20.8716 k =-0.4152 0.4196 0.5590 ( 726 PWs) bands (ev): 3.8785 3.8785 4.1888 4.1888 6.0641 6.0641 6.3861 6.3861 7.1716 7.1716 13.9668 13.9668 14.2785 14.2785 15.6268 15.6268 19.9223 19.9223 20.8476 20.8476 k =-0.4196 0.4107 0.5590 ( 726 PWs) bands (ev): 3.8364 3.8364 4.1783 4.1783 6.0942 6.0942 6.4113 6.4113 7.1990 7.1990 13.9575 13.9575 14.1727 14.1727 15.5148 15.5148 20.1720 20.1720 20.8251 20.8251 k =-0.4241 0.4018 0.5590 ( 726 PWs) bands (ev): 3.7950 3.7950 4.1681 4.1681 6.1250 6.1250 6.4353 6.4353 7.2265 7.2265 13.9484 13.9484 14.0712 14.0712 15.4071 15.4071 20.4223 20.4223 20.8039 20.8039 k =-0.4286 0.3929 0.5590 ( 726 PWs) bands (ev): 3.7545 3.7545 4.1582 4.1582 6.1562 6.1562 6.4582 6.4582 7.2540 7.2540 13.9353 13.9353 13.9784 13.9784 15.3040 15.3040 20.6726 20.6726 20.7841 20.7841 k =-0.4330 0.3839 0.5590 ( 726 PWs) bands (ev): 3.7152 3.7152 4.1488 4.1488 6.1875 6.1875 6.4799 6.4799 7.2813 7.2813 13.8722 13.8722 13.9405 13.9405 15.2056 15.2056 20.7655 20.7655 20.9221 20.9221 k =-0.4375 0.3750 0.5590 ( 734 PWs) bands (ev): 3.6774 3.6774 4.1397 4.1397 6.2184 6.2184 6.5001 6.5001 7.3082 7.3082 13.7851 13.7851 13.9318 13.9318 15.1123 15.1123 20.7478 20.7478 21.1700 21.1700 k =-0.4420 0.3661 0.5590 ( 734 PWs) bands (ev): 3.6412 3.6412 4.1311 4.1311 6.2489 6.2489 6.5190 6.5190 7.3346 7.3346 13.7011 13.7011 13.9254 13.9254 15.0241 15.0241 20.7318 20.7318 21.4156 21.4156 k =-0.4464 0.3571 0.5590 ( 734 PWs) bands (ev): 3.6069 3.6069 4.1231 4.1231 6.2784 6.2784 6.5365 6.5365 7.3602 7.3602 13.6218 13.6218 13.9200 13.9200 14.9413 14.9413 20.7171 20.7171 21.6578 21.6578 k =-0.4509 0.3482 0.5590 ( 742 PWs) bands (ev): 3.5747 3.5747 4.1155 4.1155 6.3068 6.3068 6.5526 6.5526 7.3849 7.3849 13.5477 13.5477 13.9151 13.9151 14.8642 14.8642 20.7036 20.7036 21.8950 21.8950 k =-0.4554 0.3393 0.5590 ( 742 PWs) bands (ev): 3.5448 3.5448 4.1086 4.1086 6.3337 6.3337 6.5672 6.5672 7.4084 7.4084 13.4791 13.4791 13.9109 13.9109 14.7929 14.7929 20.6914 20.6914 22.1264 22.1264 k =-0.4598 0.3304 0.5590 ( 742 PWs) bands (ev): 3.5173 3.5173 4.1022 4.1022 6.3590 6.3590 6.5803 6.5803 7.4305 7.4305 13.4163 13.4163 13.9072 13.9072 14.7276 14.7276 20.6804 20.6804 22.3498 22.3498 k =-0.4643 0.3214 0.5590 ( 742 PWs) bands (ev): 3.4924 3.4924 4.0964 4.0964 6.3824 6.3824 6.5921 6.5921 7.4510 7.4510 13.3593 13.3593 13.9040 13.9040 14.6686 14.6686 20.6705 20.6705 22.5634 22.5634 k =-0.4688 0.3125 0.5590 ( 750 PWs) bands (ev): 3.4701 3.4701 4.0912 4.0912 6.4036 6.4036 6.6024 6.6024 7.4697 7.4697 13.3086 13.3086 13.9013 13.9013 14.6160 14.6160 20.6618 20.6618 22.7645 22.7645 k =-0.4732 0.3036 0.5590 ( 750 PWs) bands (ev): 3.4506 3.4506 4.0867 4.0867 6.4224 6.4224 6.6113 6.6113 7.4863 7.4863 13.2642 13.2642 13.8989 13.8989 14.5701 14.5701 20.6543 20.6543 22.9502 22.9502 k =-0.4777 0.2946 0.5590 ( 750 PWs) bands (ev): 3.4339 3.4339 4.0829 4.0829 6.4387 6.4387 6.6188 6.6188 7.5007 7.5007 13.2263 13.2263 13.8970 13.8970 14.5309 14.5309 20.6480 20.6480 23.1172 23.1172 k =-0.4821 0.2857 0.5590 ( 750 PWs) bands (ev): 3.4202 3.4202 4.0798 4.0798 6.4523 6.4523 6.6249 6.6249 7.5128 7.5128 13.1951 13.1951 13.8954 13.8954 14.4986 14.4986 20.6428 20.6428 23.2617 23.2617 k =-0.4866 0.2768 0.5590 ( 750 PWs) bands (ev): 3.4095 3.4095 4.0773 4.0773 6.4630 6.4630 6.6296 6.6296 7.5223 7.5223 13.1707 13.1707 13.8942 13.8942 14.4733 14.4733 20.6388 20.6388 23.3798 23.3798 k =-0.4911 0.2679 0.5590 ( 750 PWs) bands (ev): 3.4018 3.4018 4.0755 4.0755 6.4707 6.4707 6.6330 6.6330 7.5292 7.5292 13.1531 13.1531 13.8933 13.8933 14.4552 14.4552 20.6360 20.6360 23.4675 23.4675 k =-0.4955 0.2589 0.5590 ( 750 PWs) bands (ev): 3.3971 3.3971 4.0745 4.0745 6.4753 6.4753 6.6350 6.6350 7.5333 7.5333 13.1426 13.1426 13.8928 13.8928 14.4444 14.4444 20.6343 20.6343 23.5217 23.5217 k =-0.5000 0.2500 0.5590 ( 750 PWs) bands (ev): 3.3956 3.3956 4.0741 4.0741 6.4769 6.4769 6.6357 6.6357 7.5347 7.5347 13.1391 13.1391 13.8927 13.8927 14.4407 14.4407 20.6337 20.6337 23.5400 23.5400 k = 0.0000 0.0000 0.5590 ( 708 PWs) bands (ev): 3.4166 3.4166 4.2906 4.2906 5.8982 5.8982 6.0911 6.0911 7.0954 7.0954 9.8688 9.8688 10.0160 10.0160 26.7848 26.7848 27.4286 27.4286 28.4276 28.4276 k = 0.0045 0.0089 0.5590 ( 708 PWs) bands (ev): 3.4183 3.4183 4.2907 4.2907 5.8980 5.8980 6.0906 6.0906 7.0927 7.0927 9.8684 9.8684 10.0213 10.0213 26.7840 26.7840 27.4184 27.4184 28.4246 28.4246 k = 0.0089 0.0179 0.5590 ( 708 PWs) bands (ev): 3.4234 3.4234 4.2913 4.2913 5.8975 5.8975 6.0894 6.0894 7.0848 7.0848 9.8675 9.8675 10.0371 10.0371 26.7809 26.7809 27.3878 27.3878 28.4163 28.4163 k = 0.0134 0.0268 0.5590 ( 718 PWs) bands (ev): 3.4318 3.4318 4.2921 4.2921 5.8966 5.8966 6.0874 6.0874 7.0718 7.0718 9.8666 9.8666 10.0624 10.0624 26.7734 26.7734 27.3380 27.3380 28.4046 28.4046 k = 0.0179 0.0357 0.5590 ( 722 PWs) bands (ev): 3.4436 3.4436 4.2933 4.2933 5.8954 5.8954 6.0847 6.0847 7.0540 7.0540 9.8661 9.8661 10.0967 10.0967 26.7575 26.7575 27.2719 27.2719 28.3919 28.3919 k = 0.0223 0.0446 0.5590 ( 722 PWs) bands (ev): 3.4587 3.4587 4.2949 4.2949 5.8936 5.8936 6.0814 6.0814 7.0319 7.0319 9.8665 9.8665 10.1393 10.1393 26.7256 26.7256 27.1961 27.1961 28.3801 28.3801 k = 0.0268 0.0536 0.5590 ( 726 PWs) bands (ev): 3.4769 3.4769 4.2967 4.2967 5.8913 5.8913 6.0776 6.0776 7.0058 7.0058 9.8678 9.8678 10.1896 10.1896 26.6663 26.6663 27.1212 27.1212 28.3698 28.3698 k = 0.0312 0.0625 0.5590 ( 726 PWs) bands (ev): 3.4982 3.4982 4.2988 4.2988 5.8885 5.8885 6.0734 6.0734 6.9763 6.9763 9.8702 9.8702 10.2471 10.2471 26.5692 26.5692 27.0571 27.0571 28.3606 28.3606 k = 0.0357 0.0714 0.5590 ( 726 PWs) bands (ev): 3.5225 3.5225 4.3012 4.3012 5.8849 5.8849 6.0690 6.0690 6.9439 6.9439 9.8735 9.8735 10.3114 10.3114 26.4327 26.4327 27.0040 27.0040 28.3506 28.3506 k = 0.0402 0.0804 0.5590 ( 726 PWs) bands (ev): 3.5497 3.5497 4.3038 4.3038 5.8806 5.8806 6.0646 6.0646 6.9091 6.9091 9.8779 9.8779 10.3820 10.3820 26.2635 26.2635 26.9528 26.9528 28.3369 28.3369 k = 0.0446 0.0893 0.5590 ( 726 PWs) bands (ev): 3.5796 3.5796 4.3067 4.3067 5.8754 5.8754 6.0602 6.0602 6.8726 6.8726 9.8833 9.8833 10.4586 10.4586 26.0699 26.0699 26.8924 26.8924 28.3181 28.3181 k = 0.0491 0.0982 0.5590 ( 726 PWs) bands (ev): 3.6120 3.6120 4.3096 4.3096 5.8694 5.8694 6.0560 6.0560 6.8348 6.8348 9.8897 9.8897 10.5407 10.5407 25.8580 25.8580 26.8131 26.8131 28.2966 28.2966 k = 0.0536 0.1071 0.5590 ( 726 PWs) bands (ev): 3.6467 3.6467 4.3128 4.3128 5.8626 5.8626 6.0522 6.0522 6.7963 6.7963 9.8972 9.8972 10.6279 10.6279 25.6320 25.6320 26.7090 26.7090 28.2795 28.2795 k = 0.0580 0.1161 0.5590 ( 728 PWs) bands (ev): 3.6835 3.6835 4.3160 4.3160 5.8551 5.8551 6.0487 6.0487 6.7574 6.7574 9.9058 9.9058 10.7199 10.7199 25.3948 25.3948 26.5779 26.5779 28.2750 28.2750 k = 0.0625 0.1250 0.5590 ( 732 PWs) bands (ev): 3.7221 3.7221 4.3192 4.3192 5.8468 5.8468 6.0457 6.0457 6.7188 6.7188 9.9157 9.9157 10.8163 10.8163 25.1487 25.1487 26.4213 26.4213 28.2874 28.2874 k = 0.0670 0.1339 0.5590 ( 724 PWs) bands (ev): 3.7623 3.7623 4.3224 4.3224 5.8380 5.8380 6.0431 6.0431 6.6809 6.6809 9.9268 9.9268 10.9169 10.9169 24.8955 24.8955 26.2435 26.2435 28.3173 28.3173 k = 0.0714 0.1429 0.5590 ( 724 PWs) bands (ev): 3.8037 3.8037 4.3256 4.3256 5.8289 5.8289 6.0408 6.0408 6.6440 6.6440 9.9393 9.9393 11.0213 11.0213 24.6363 24.6363 26.0483 26.0483 28.3630 28.3630 k = 0.0759 0.1518 0.5590 ( 724 PWs) bands (ev): 3.8459 3.8459 4.3286 4.3286 5.8196 5.8196 6.0390 6.0390 6.6087 6.6087 9.9534 9.9534 11.1293 11.1293 24.3721 24.3721 25.8401 25.8401 28.4220 28.4220 k = 0.0804 0.1607 0.5590 ( 732 PWs) bands (ev): 3.8887 3.8887 4.3314 4.3314 5.8105 5.8105 6.0375 6.0375 6.5752 6.5752 9.9690 9.9690 11.2407 11.2407 24.1038 24.1038 25.6218 25.6218 28.4916 28.4916 k = 0.0848 0.1696 0.5590 ( 732 PWs) bands (ev): 3.9315 3.9315 4.3339 4.3339 5.8015 5.8015 6.0364 6.0364 6.5439 6.5439 9.9864 9.9864 11.3552 11.3552 23.8322 23.8322 25.3968 25.3968 28.5697 28.5697 k = 0.0893 0.1786 0.5590 ( 728 PWs) bands (ev): 3.9739 3.9739 4.3361 4.3361 5.7931 5.7931 6.0358 6.0358 6.5152 6.5152 10.0056 10.0056 11.4729 11.4729 23.5579 23.5579 25.1667 25.1667 28.6543 28.6543 k = 0.0938 0.1875 0.5590 ( 728 PWs) bands (ev): 4.0156 4.0156 4.3379 4.3379 5.7852 5.7852 6.0358 6.0358 6.4893 6.4893 10.0270 10.0270 11.5933 11.5933 23.2812 23.2812 24.9330 24.9330 28.7440 28.7440 k = 0.0982 0.1964 0.5590 ( 728 PWs) bands (ev): 4.0560 4.0560 4.3392 4.3392 5.7778 5.7778 6.0367 6.0367 6.4663 6.4663 10.0507 10.0507 11.7165 11.7165 23.0027 23.0027 24.6968 24.6968 28.8376 28.8376 k = 0.1027 0.2053 0.5590 ( 728 PWs) bands (ev): 4.0947 4.0947 4.3399 4.3399 5.7710 5.7710 6.0389 6.0389 6.4465 6.4465 10.0768 10.0768 11.8423 11.8423 22.7227 22.7227 24.4591 24.4591 28.9343 28.9343 k = 0.1071 0.2143 0.5590 ( 728 PWs) bands (ev): 4.1313 4.1313 4.3400 4.3400 5.7645 5.7645 6.0430 6.0430 6.4299 6.4299 10.1055 10.1055 11.9705 11.9705 22.4416 22.4416 24.2205 24.2205 29.0333 29.0333 k = 0.1116 0.2232 0.5590 ( 724 PWs) bands (ev): 4.1654 4.1654 4.3393 4.3393 5.7581 5.7581 6.0495 6.0495 6.4165 6.4165 10.1372 10.1372 12.1012 12.1012 22.1596 22.1596 23.9815 23.9815 29.1345 29.1345 k = 0.1161 0.2321 0.5590 ( 724 PWs) bands (ev): 4.1966 4.1966 4.3379 4.3379 5.7515 5.7515 6.0592 6.0592 6.4060 6.4060 10.1721 10.1721 12.2341 12.2341 21.8771 21.8771 23.7425 23.7425 29.2375 29.2375 k = 0.1205 0.2411 0.5590 ( 724 PWs) bands (ev): 4.2249 4.2249 4.3355 4.3355 5.7445 5.7445 6.0724 6.0724 6.3985 6.3985 10.2104 10.2104 12.3692 12.3692 21.5942 21.5942 23.5039 23.5039 29.3423 29.3423 k = 0.1250 0.2500 0.5590 ( 724 PWs) bands (ev): 4.2499 4.2499 4.3322 4.3322 5.7368 5.7368 6.0897 6.0897 6.3936 6.3936 10.2524 10.2524 12.5064 12.5064 21.3113 21.3113 23.2660 23.2660 29.4490 29.4490 k = 0.1295 0.2589 0.5590 ( 724 PWs) bands (ev): 4.2718 4.2718 4.3279 4.3279 5.7284 5.7284 6.1111 6.1111 6.3912 6.3912 10.2985 10.2985 12.6457 12.6457 21.0286 21.0286 23.0289 23.0289 29.5576 29.5576 k = 0.1339 0.2678 0.5590 ( 724 PWs) bands (ev): 4.2905 4.2905 4.3226 4.3226 5.7193 5.7193 6.1366 6.1366 6.3911 6.3911 10.3488 10.3488 12.7870 12.7870 20.7461 20.7461 22.7928 22.7928 29.6682 29.6682 k = 0.1384 0.2768 0.5590 ( 720 PWs) bands (ev): 4.3061 4.3061 4.3163 4.3163 5.7096 5.7096 6.1657 6.1657 6.3932 6.3932 10.4037 10.4037 12.9302 12.9302 20.4644 20.4644 22.5579 22.5579 29.7809 29.7809 k = 0.1429 0.2857 0.5590 ( 718 PWs) bands (ev): 4.3089 4.3089 4.3188 4.3188 5.6995 5.6995 6.1979 6.1979 6.3974 6.3974 10.4636 10.4636 13.0753 13.0753 20.1833 20.1833 22.3244 22.3244 29.8958 29.8958 k = 0.1473 0.2946 0.5590 ( 718 PWs) bands (ev): 4.3006 4.3006 4.3290 4.3290 5.6892 5.6892 6.2321 6.2321 6.4038 6.4038 10.5286 10.5286 13.2222 13.2222 19.9032 19.9032 22.0922 22.0922 30.0130 30.0130 k = 0.1518 0.3036 0.5590 ( 718 PWs) bands (ev): 4.2913 4.2913 4.3367 4.3367 5.6789 5.6789 6.2672 6.2672 6.4130 6.4130 10.5992 10.5992 13.3709 13.3709 19.6242 19.6242 21.8615 21.8615 30.1325 30.1325 k = 0.1562 0.3125 0.5590 ( 718 PWs) bands (ev): 4.2813 4.2813 4.3424 4.3424 5.6688 5.6688 6.3015 6.3015 6.4257 6.4257 10.6755 10.6755 13.5212 13.5212 19.3466 19.3466 21.6324 21.6324 30.2543 30.2543 k = 0.1607 0.3214 0.5590 ( 718 PWs) bands (ev): 4.2705 4.2705 4.3462 4.3462 5.6590 5.6590 6.3326 6.3326 6.4435 6.4435 10.7579 10.7579 13.6731 13.6731 19.0706 19.0706 21.4048 21.4048 30.3786 30.3786 k = 0.1652 0.3303 0.5590 ( 722 PWs) bands (ev): 4.2592 4.2592 4.3484 4.3484 5.6497 5.6497 6.3584 6.3584 6.4676 6.4676 10.8466 10.8466 13.8265 13.8265 18.7965 18.7965 21.1789 21.1789 30.5054 30.5054 k = 0.1696 0.3393 0.5590 ( 720 PWs) bands (ev): 4.2474 4.2474 4.3493 4.3493 5.6409 5.6409 6.3786 6.3786 6.4979 6.4979 10.9417 10.9417 13.9814 13.9814 18.5245 18.5245 20.9549 20.9549 30.6346 30.6346 k = 0.1741 0.3482 0.5590 ( 720 PWs) bands (ev): 4.2353 4.2353 4.3491 4.3491 5.6327 5.6327 6.3942 6.3942 6.5324 6.5324 11.0435 11.0435 14.1374 14.1374 18.2549 18.2549 20.7325 20.7325 30.7662 30.7662 k = 0.1786 0.3571 0.5590 ( 720 PWs) bands (ev): 4.2230 4.2230 4.3480 4.3480 5.6251 5.6251 6.4071 6.4071 6.5689 6.5689 11.1520 11.1520 14.2945 14.2945 17.9882 17.9882 20.5120 20.5120 30.9003 30.9003 k = 0.1830 0.3661 0.5590 ( 718 PWs) bands (ev): 4.2107 4.2107 4.3461 4.3461 5.6182 5.6182 6.4182 6.4182 6.6057 6.6057 11.2673 11.2673 14.4523 14.4523 17.7248 17.7248 20.2934 20.2934 31.0368 31.0368 k = 0.1875 0.3750 0.5590 ( 718 PWs) bands (ev): 4.1986 4.1986 4.3436 4.3436 5.6119 5.6119 6.4282 6.4282 6.6419 6.6419 11.3894 11.3894 14.6103 14.6103 17.4655 17.4655 20.0767 20.0767 31.1757 31.1757 k = 0.1920 0.3839 0.5590 ( 718 PWs) bands (ev): 4.1867 4.1867 4.3408 4.3408 5.6062 5.6062 6.4374 6.4374 6.6766 6.6766 11.5182 11.5182 14.7677 14.7677 17.2111 17.2111 19.8619 19.8619 31.3169 31.3169 k = 0.1964 0.3928 0.5590 ( 718 PWs) bands (ev): 4.1752 4.1752 4.3376 4.3376 5.6011 5.6011 6.4460 6.4460 6.7095 6.7095 11.6536 11.6536 14.9232 14.9232 16.9633 16.9633 19.6492 19.6492 31.4603 31.4603 k = 0.2009 0.4018 0.5590 ( 722 PWs) bands (ev): 4.1642 4.1642 4.3343 4.3343 5.5967 5.5967 6.4540 6.4540 6.7401 6.7401 11.7954 11.7954 15.0740 15.0740 16.7252 16.7252 19.4384 19.4384 31.6058 31.6058 k = 0.2054 0.4107 0.5590 ( 718 PWs) bands (ev): 4.1538 4.1538 4.3309 4.3309 5.5927 5.5927 6.4615 6.4615 6.7684 6.7684 11.9433 11.9433 15.2147 15.2147 16.5025 16.5025 19.2299 19.2299 31.7534 31.7534 k = 0.2098 0.4196 0.5590 ( 718 PWs) bands (ev): 4.1442 4.1442 4.3275 4.3275 5.5893 5.5893 6.4684 6.4684 6.7941 6.7941 12.0969 12.0969 15.3320 15.3320 16.3088 16.3088 19.0236 19.0236 31.9028 31.9028 k = 0.2143 0.4286 0.5590 ( 722 PWs) bands (ev): 4.1353 4.1353 4.3243 4.3243 5.5864 5.5864 6.4747 6.4747 6.8172 6.8172 12.2556 12.2556 15.3957 15.3957 16.1749 16.1749 18.8195 18.8195 32.0537 32.0537 k = 0.2188 0.4375 0.5590 ( 722 PWs) bands (ev): 4.1272 4.1272 4.3213 4.3213 5.5839 5.5839 6.4803 6.4803 6.8376 6.8376 12.4186 12.4186 15.3636 15.3636 16.1435 16.1435 18.6181 18.6181 32.2057 32.2057 k = 0.2232 0.4464 0.5590 ( 726 PWs) bands (ev): 4.1201 4.1201 4.3185 4.3185 5.5818 5.5818 6.4853 6.4853 6.8552 6.8552 12.5847 12.5847 15.2396 15.2396 16.2116 16.2116 18.4196 18.4196 32.3546 32.3546 k = 0.2277 0.4553 0.5590 ( 724 PWs) bands (ev): 4.1140 4.1140 4.3161 4.3161 5.5800 5.5800 6.4896 6.4896 6.8701 6.8701 12.7520 12.7520 15.0701 15.0701 16.3343 16.3343 18.2247 18.2247 32.3578 32.3578 k = 0.2321 0.4643 0.5590 ( 720 PWs) bands (ev): 4.1089 4.1089 4.3141 4.3141 5.5786 5.5786 6.4931 6.4931 6.8823 6.8823 12.9175 12.9175 14.8879 14.8879 16.4807 16.4807 18.0341 18.0341 32.3521 32.3521 k = 0.2366 0.4732 0.5590 ( 720 PWs) bands (ev): 4.1049 4.1049 4.3125 4.3125 5.5776 5.5776 6.4958 6.4958 6.8918 6.8918 13.0756 13.0756 14.7110 14.7110 16.6362 16.6362 17.8501 17.8501 32.3476 32.3476 k = 0.2411 0.4821 0.5590 ( 720 PWs) bands (ev): 4.1020 4.1020 4.3113 4.3113 5.5768 5.5768 6.4978 6.4978 6.8985 6.8985 13.2161 13.2161 14.5551 14.5551 16.7904 16.7904 17.6777 17.6777 32.3444 32.3444 k = 0.2455 0.4911 0.5590 ( 720 PWs) bands (ev): 4.1002 4.1002 4.3107 4.3107 5.5763 5.5763 6.4990 6.4990 6.9026 6.9026 13.3197 13.3197 14.4416 14.4416 16.9251 16.9251 17.5327 17.5327 32.3424 32.3424 k = 0.2500 0.5000 0.5590 ( 720 PWs) bands (ev): 4.0995 4.0995 4.3105 4.3105 5.5761 5.5761 6.4993 6.4993 6.9040 6.9040 13.3591 13.3591 14.3989 14.3989 16.9898 16.9898 17.4647 17.4647 32.3418 32.3418 Writing output data file Hg.save init_run : 0.18s CPU 0.30s WALL ( 1 calls) electrons : 45.16s CPU 46.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 45.16s CPU 46.56s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.01s WALL ( 520 calls) cegterg : 42.74s CPU 43.79s WALL ( 731 calls) Called by sum_band: Called by *egterg: h_psi : 17.65s CPU 18.37s WALL ( 11621 calls) s_psi : 0.59s CPU 0.55s WALL ( 11621 calls) g_psi : 0.04s CPU 0.03s WALL ( 10370 calls) cdiaghg : 22.64s CPU 23.11s WALL ( 10890 calls) cegterg:over : 1.19s CPU 1.27s WALL ( 10370 calls) cegterg:upda : 1.00s CPU 0.92s WALL ( 10370 calls) cegterg:last : 0.55s CPU 0.51s WALL ( 2143 calls) cdiaghg:chol : 1.08s CPU 1.24s WALL ( 10890 calls) cdiaghg:inve : 0.20s CPU 0.26s WALL ( 10890 calls) cdiaghg:para : 1.67s CPU 1.67s WALL ( 21780 calls) Called by h_psi: h_psi:vloc : 16.22s CPU 16.95s WALL ( 11621 calls) h_psi:vnl : 1.38s CPU 1.39s WALL ( 11621 calls) add_vuspsi : 0.72s CPU 0.72s WALL ( 11621 calls) General routines calbec : 0.64s CPU 0.64s WALL ( 11621 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.97s CPU 15.68s WALL ( 516880 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.13s WALL ( 1040 calls) Parallel routines fft_scatter : 8.35s CPU 8.86s WALL ( 516903 calls) PWSCF : 0m53.22s CPU 1m28.00s WALL This run was terminated on: 19:42:57 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=