Program PWSCF v.5.1.1 starts on 25Aug2015 at 22:13:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaN.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 9 2 303 121 19 Max 17 10 3 307 129 25 Sum 793 433 139 14553 5961 1067 bravais-lattice index = 14 lattice parameter (alat) = 5.9690 a.u. unit-cell volume = 150.3780 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.968975 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 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 N 5.00 14.00670 N( 1.00) Ga 13.00 69.72300 Ga( 1.00) 6 Sym. Ops. (no inversion) found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 466 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 2) = ( 0.0070422 -0.0040658 0.0057500), wk = 0.0021459 k( 3) = ( 0.0140845 -0.0081317 0.0115000), wk = 0.0021459 k( 4) = ( 0.0211268 -0.0121975 0.0172499), wk = 0.0021459 k( 5) = ( 0.0281690 -0.0162634 0.0229999), wk = 0.0021459 k( 6) = ( 0.0352113 -0.0203292 0.0287499), wk = 0.0021459 k( 7) = ( 0.0422535 -0.0243951 0.0344999), wk = 0.0021459 k( 8) = ( 0.0492958 -0.0284609 0.0402498), wk = 0.0021459 k( 9) = ( 0.0563380 -0.0325268 0.0459998), wk = 0.0021459 k( 10) = ( 0.0633803 -0.0365926 0.0517498), wk = 0.0021459 k( 11) = ( 0.0704225 -0.0406585 0.0574998), wk = 0.0021459 k( 12) = ( 0.0774648 -0.0447243 0.0632497), wk = 0.0021459 k( 13) = ( 0.0845070 -0.0487902 0.0689997), wk = 0.0021459 k( 14) = ( 0.0915493 -0.0528560 0.0747497), wk = 0.0021459 k( 15) = ( 0.0985916 -0.0569219 0.0804997), wk = 0.0021459 k( 16) = ( 0.1056338 -0.0609877 0.0862496), wk = 0.0021459 k( 17) = ( 0.1126761 -0.0650536 0.0919996), wk = 0.0021459 k( 18) = ( 0.1197183 -0.0691194 0.0977496), wk = 0.0021459 k( 19) = ( 0.1267606 -0.0731852 0.1034996), wk = 0.0021459 k( 20) = ( 0.1338028 -0.0772511 0.1092495), wk = 0.0021459 k( 21) = ( 0.1408451 -0.0813169 0.1149995), wk = 0.0021459 k( 22) = ( 0.1478873 -0.0853828 0.1207495), wk = 0.0021459 k( 23) = ( 0.1549296 -0.0894486 0.1264995), wk = 0.0021459 k( 24) = ( 0.1619718 -0.0935145 0.1322494), wk = 0.0021459 k( 25) = ( 0.1690141 -0.0975803 0.1379994), wk = 0.0021459 k( 26) = ( 0.1760563 -0.1016462 0.1437494), wk = 0.0021459 k( 27) = ( 0.1830986 -0.1057120 0.1494994), wk = 0.0021459 k( 28) = ( 0.1901409 -0.1097779 0.1552494), wk = 0.0021459 k( 29) = ( 0.1971831 -0.1138437 0.1609993), wk = 0.0021459 k( 30) = ( 0.2042253 -0.1179096 0.1667493), wk = 0.0021459 k( 31) = ( 0.2112676 -0.1219754 0.1724993), wk = 0.0021459 k( 32) = ( 0.2183099 -0.1260413 0.1782493), wk = 0.0021459 k( 33) = ( 0.2253521 -0.1301071 0.1839992), wk = 0.0021459 k( 34) = ( 0.2323944 -0.1341730 0.1897492), wk = 0.0021459 k( 35) = ( 0.2394366 -0.1382388 0.1954992), wk = 0.0021459 k( 36) = ( 0.2464789 -0.1423046 0.2012492), wk = 0.0021459 k( 37) = ( 0.2535211 -0.1463705 0.2069991), wk = 0.0021459 k( 38) = ( 0.2605634 -0.1504363 0.2127491), wk = 0.0021459 k( 39) = ( 0.2676056 -0.1545022 0.2184991), wk = 0.0021459 k( 40) = ( 0.2746479 -0.1585680 0.2242491), wk = 0.0021459 k( 41) = ( 0.2816901 -0.1626339 0.2299990), wk = 0.0021459 k( 42) = ( 0.2887324 -0.1666997 0.2357490), wk = 0.0021459 k( 43) = ( 0.2957746 -0.1707656 0.2414990), wk = 0.0021459 k( 44) = ( 0.3028169 -0.1748314 0.2472490), wk = 0.0021459 k( 45) = ( 0.3098592 -0.1788973 0.2529989), wk = 0.0021459 k( 46) = ( 0.3169014 -0.1829631 0.2587489), wk = 0.0021459 k( 47) = ( 0.3239437 -0.1870290 0.2644989), wk = 0.0021459 k( 48) = ( 0.3309859 -0.1910948 0.2702489), wk = 0.0021459 k( 49) = ( 0.3380282 -0.1951607 0.2759988), wk = 0.0021459 k( 50) = ( 0.3450704 -0.1992265 0.2817488), wk = 0.0021459 k( 51) = ( 0.3521127 -0.2032924 0.2874988), wk = 0.0021459 k( 52) = ( 0.3591549 -0.2073582 0.2932488), wk = 0.0021459 k( 53) = ( 0.3661972 -0.2114240 0.2989987), wk = 0.0021459 k( 54) = ( 0.3732394 -0.2154899 0.3047487), wk = 0.0021459 k( 55) = ( 0.3802817 -0.2195557 0.3104987), wk = 0.0021459 k( 56) = ( 0.3873239 -0.2236216 0.3162487), wk = 0.0021459 k( 57) = ( 0.3943662 -0.2276874 0.3219987), wk = 0.0021459 k( 58) = ( 0.4014085 -0.2317533 0.3277486), wk = 0.0021459 k( 59) = ( 0.4084507 -0.2358191 0.3334986), wk = 0.0021459 k( 60) = ( 0.4154930 -0.2398850 0.3392486), wk = 0.0021459 k( 61) = ( 0.4225352 -0.2439508 0.3449986), wk = 0.0021459 k( 62) = ( 0.4295775 -0.2480167 0.3507485), wk = 0.0021459 k( 63) = ( 0.4366197 -0.2520825 0.3564985), wk = 0.0021459 k( 64) = ( 0.4436620 -0.2561484 0.3622485), wk = 0.0021459 k( 65) = ( 0.4507042 -0.2602142 0.3679985), wk = 0.0021459 k( 66) = ( 0.4577465 -0.2642801 0.3737484), wk = 0.0021459 k( 67) = ( 0.4647887 -0.2683459 0.3794984), wk = 0.0021459 k( 68) = ( 0.4718310 -0.2724117 0.3852484), wk = 0.0021459 k( 69) = ( 0.4788732 -0.2764776 0.3909984), wk = 0.0021459 k( 70) = ( 0.4859155 -0.2805434 0.3967483), wk = 0.0021459 k( 71) = ( 0.4929577 -0.2846093 0.4024983), wk = 0.0021459 k( 72) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021459 k( 73) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021459 k( 74) = ( 0.5000000 -0.2806564 0.4139184), wk = 0.0021459 k( 75) = ( 0.5000000 -0.2726376 0.4195885), wk = 0.0021459 k( 76) = ( 0.5000000 -0.2646189 0.4252586), wk = 0.0021459 k( 77) = ( 0.5000000 -0.2566001 0.4309288), wk = 0.0021459 k( 78) = ( 0.5000000 -0.2485814 0.4365989), wk = 0.0021459 k( 79) = ( 0.5000000 -0.2405626 0.4422690), wk = 0.0021459 k( 80) = ( 0.5000000 -0.2325439 0.4479391), wk = 0.0021459 k( 81) = ( 0.5000000 -0.2245251 0.4536092), wk = 0.0021459 k( 82) = ( 0.5000000 -0.2165064 0.4592793), wk = 0.0021459 k( 83) = ( 0.5000000 -0.2084876 0.4649494), wk = 0.0021459 k( 84) = ( 0.5000000 -0.2004688 0.4706196), wk = 0.0021459 k( 85) = ( 0.5000000 -0.1924501 0.4762897), wk = 0.0021459 k( 86) = ( 0.5000000 -0.1844313 0.4819598), wk = 0.0021459 k( 87) = ( 0.5000000 -0.1764126 0.4876299), wk = 0.0021459 k( 88) = ( 0.5000000 -0.1683938 0.4933000), wk = 0.0021459 k( 89) = ( 0.5000000 -0.1603751 0.4989701), wk = 0.0021459 k( 90) = ( 0.5000000 -0.1523563 0.5046403), wk = 0.0021459 k( 91) = ( 0.5000000 -0.1443376 0.5103104), wk = 0.0021459 k( 92) = ( 0.5000000 -0.1363188 0.5159805), wk = 0.0021459 k( 93) = ( 0.5000000 -0.1283001 0.5216506), wk = 0.0021459 k( 94) = ( 0.5000000 -0.1202813 0.5273207), wk = 0.0021459 k( 95) = ( 0.5000000 -0.1122625 0.5329908), wk = 0.0021459 k( 96) = ( 0.5000000 -0.1042438 0.5386609), wk = 0.0021459 k( 97) = ( 0.5000000 -0.0962250 0.5443311), wk = 0.0021459 k( 98) = ( 0.5000000 -0.0882063 0.5500012), wk = 0.0021459 k( 99) = ( 0.5000000 -0.0801875 0.5556713), wk = 0.0021459 k( 100) = ( 0.5000000 -0.0721688 0.5613414), wk = 0.0021459 k( 101) = ( 0.5000000 -0.0641500 0.5670115), wk = 0.0021459 k( 102) = ( 0.5000000 -0.0561313 0.5726816), wk = 0.0021459 k( 103) = ( 0.5000000 -0.0481125 0.5783517), wk = 0.0021459 k( 104) = ( 0.5000000 -0.0400938 0.5840219), wk = 0.0021459 k( 105) = ( 0.5000000 -0.0320750 0.5896920), wk = 0.0021459 k( 106) = ( 0.5000000 -0.0240563 0.5953621), wk = 0.0021459 k( 107) = ( 0.5000000 -0.0160375 0.6010322), wk = 0.0021459 k( 108) = ( 0.5000000 -0.0080187 0.6067023), wk = 0.0021459 k( 109) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021459 k( 110) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021459 k( 111) = ( 0.4950000 0.0086603 0.6123724), wk = 0.0021459 k( 112) = ( 0.4900000 0.0173205 0.6123724), wk = 0.0021459 k( 113) = ( 0.4850000 0.0259808 0.6123724), wk = 0.0021459 k( 114) = ( 0.4800000 0.0346410 0.6123724), wk = 0.0021459 k( 115) = ( 0.4750000 0.0433013 0.6123724), wk = 0.0021459 k( 116) = ( 0.4700000 0.0519615 0.6123724), wk = 0.0021459 k( 117) = ( 0.4650000 0.0606218 0.6123724), wk = 0.0021459 k( 118) = ( 0.4600000 0.0692820 0.6123724), wk = 0.0021459 k( 119) = ( 0.4550000 0.0779423 0.6123724), wk = 0.0021459 k( 120) = ( 0.4500000 0.0866025 0.6123724), wk = 0.0021459 k( 121) = ( 0.4450000 0.0952628 0.6123724), wk = 0.0021459 k( 122) = ( 0.4400000 0.1039230 0.6123724), wk = 0.0021459 k( 123) = ( 0.4350000 0.1125833 0.6123724), wk = 0.0021459 k( 124) = ( 0.4300000 0.1212436 0.6123724), wk = 0.0021459 k( 125) = ( 0.4250000 0.1299038 0.6123724), wk = 0.0021459 k( 126) = ( 0.4200000 0.1385641 0.6123724), wk = 0.0021459 k( 127) = ( 0.4150000 0.1472243 0.6123724), wk = 0.0021459 k( 128) = ( 0.4100000 0.1558846 0.6123724), wk = 0.0021459 k( 129) = ( 0.4050000 0.1645448 0.6123724), wk = 0.0021459 k( 130) = ( 0.4000000 0.1732051 0.6123724), wk = 0.0021459 k( 131) = ( 0.3950000 0.1818653 0.6123724), wk = 0.0021459 k( 132) = ( 0.3900000 0.1905256 0.6123724), wk = 0.0021459 k( 133) = ( 0.3850000 0.1991858 0.6123724), wk = 0.0021459 k( 134) = ( 0.3800000 0.2078461 0.6123724), wk = 0.0021459 k( 135) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021459 k( 136) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021459 k( 137) = ( 0.3700000 0.2136196 0.6042075), wk = 0.0021459 k( 138) = ( 0.3650000 0.2107328 0.5960425), wk = 0.0021459 k( 139) = ( 0.3600000 0.2078461 0.5878775), wk = 0.0021459 k( 140) = ( 0.3550000 0.2049593 0.5797126), wk = 0.0021459 k( 141) = ( 0.3500000 0.2020726 0.5715476), wk = 0.0021459 k( 142) = ( 0.3450000 0.1991858 0.5633826), wk = 0.0021459 k( 143) = ( 0.3400000 0.1962991 0.5552177), wk = 0.0021459 k( 144) = ( 0.3350000 0.1934123 0.5470527), wk = 0.0021459 k( 145) = ( 0.3300000 0.1905256 0.5388877), wk = 0.0021459 k( 146) = ( 0.3250000 0.1876388 0.5307228), wk = 0.0021459 k( 147) = ( 0.3200000 0.1847521 0.5225578), wk = 0.0021459 k( 148) = ( 0.3150000 0.1818653 0.5143928), wk = 0.0021459 k( 149) = ( 0.3100000 0.1789786 0.5062279), wk = 0.0021459 k( 150) = ( 0.3050000 0.1760918 0.4980629), wk = 0.0021459 k( 151) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0021459 k( 152) = ( 0.2950000 0.1703183 0.4817330), wk = 0.0021459 k( 153) = ( 0.2900000 0.1674316 0.4735680), wk = 0.0021459 k( 154) = ( 0.2850000 0.1645448 0.4654031), wk = 0.0021459 k( 155) = ( 0.2800000 0.1616581 0.4572381), wk = 0.0021459 k( 156) = ( 0.2750000 0.1587713 0.4490731), wk = 0.0021459 k( 157) = ( 0.2700000 0.1558846 0.4409082), wk = 0.0021459 k( 158) = ( 0.2650000 0.1529978 0.4327432), wk = 0.0021459 k( 159) = ( 0.2600000 0.1501111 0.4245782), wk = 0.0021459 k( 160) = ( 0.2550000 0.1472243 0.4164133), wk = 0.0021459 k( 161) = ( 0.2500000 0.1443376 0.4082483), wk = 0.0021459 k( 162) = ( 0.2450000 0.1414508 0.4000833), wk = 0.0021459 k( 163) = ( 0.2400000 0.1385641 0.3919184), wk = 0.0021459 k( 164) = ( 0.2350000 0.1356773 0.3837534), wk = 0.0021459 k( 165) = ( 0.2300000 0.1327906 0.3755884), wk = 0.0021459 k( 166) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0021459 k( 167) = ( 0.2200000 0.1270171 0.3592585), wk = 0.0021459 k( 168) = ( 0.2150000 0.1241303 0.3510935), wk = 0.0021459 k( 169) = ( 0.2100000 0.1212436 0.3429286), wk = 0.0021459 k( 170) = ( 0.2050000 0.1183568 0.3347636), wk = 0.0021459 k( 171) = ( 0.2000000 0.1154701 0.3265986), wk = 0.0021459 k( 172) = ( 0.1950000 0.1125833 0.3184337), wk = 0.0021459 k( 173) = ( 0.1900000 0.1096966 0.3102687), wk = 0.0021459 k( 174) = ( 0.1850000 0.1068098 0.3021037), wk = 0.0021459 k( 175) = ( 0.1800000 0.1039230 0.2939388), wk = 0.0021459 k( 176) = ( 0.1750000 0.1010363 0.2857738), wk = 0.0021459 k( 177) = ( 0.1700000 0.0981495 0.2776088), wk = 0.0021459 k( 178) = ( 0.1650000 0.0952628 0.2694439), wk = 0.0021459 k( 179) = ( 0.1600000 0.0923760 0.2612789), wk = 0.0021459 k( 180) = ( 0.1550000 0.0894893 0.2531139), wk = 0.0021459 k( 181) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0021459 k( 182) = ( 0.1450000 0.0837158 0.2367840), wk = 0.0021459 k( 183) = ( 0.1400000 0.0808290 0.2286190), wk = 0.0021459 k( 184) = ( 0.1350000 0.0779423 0.2204541), wk = 0.0021459 k( 185) = ( 0.1300000 0.0750555 0.2122891), wk = 0.0021459 k( 186) = ( 0.1250000 0.0721688 0.2041241), wk = 0.0021459 k( 187) = ( 0.1200000 0.0692820 0.1959592), wk = 0.0021459 k( 188) = ( 0.1150000 0.0663953 0.1877942), wk = 0.0021459 k( 189) = ( 0.1100000 0.0635085 0.1796292), wk = 0.0021459 k( 190) = ( 0.1050000 0.0606218 0.1714643), wk = 0.0021459 k( 191) = ( 0.1000000 0.0577350 0.1632993), wk = 0.0021459 k( 192) = ( 0.0950000 0.0548483 0.1551344), wk = 0.0021459 k( 193) = ( 0.0900000 0.0519615 0.1469694), wk = 0.0021459 k( 194) = ( 0.0850000 0.0490748 0.1388044), wk = 0.0021459 k( 195) = ( 0.0800000 0.0461880 0.1306395), wk = 0.0021459 k( 196) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0021459 k( 197) = ( 0.0700000 0.0404145 0.1143095), wk = 0.0021459 k( 198) = ( 0.0650000 0.0375278 0.1061446), wk = 0.0021459 k( 199) = ( 0.0600000 0.0346410 0.0979796), wk = 0.0021459 k( 200) = ( 0.0550000 0.0317543 0.0898146), wk = 0.0021459 k( 201) = ( 0.0500000 0.0288675 0.0816497), wk = 0.0021459 k( 202) = ( 0.0450000 0.0259808 0.0734847), wk = 0.0021459 k( 203) = ( 0.0400000 0.0230940 0.0653197), wk = 0.0021459 k( 204) = ( 0.0350000 0.0202073 0.0571548), wk = 0.0021459 k( 205) = ( 0.0300000 0.0173205 0.0489898), wk = 0.0021459 k( 206) = ( 0.0250000 0.0144338 0.0408248), wk = 0.0021459 k( 207) = ( 0.0200000 0.0115470 0.0326599), wk = 0.0021459 k( 208) = ( 0.0150000 0.0086603 0.0244949), wk = 0.0021459 k( 209) = ( 0.0100000 0.0057735 0.0163299), wk = 0.0021459 k( 210) = ( 0.0050000 0.0028868 0.0081650), wk = 0.0021459 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 213) = ( 0.0081967 0.0047324 0.0033463), wk = 0.0021459 k( 214) = ( 0.0163934 0.0094648 0.0066926), wk = 0.0021459 k( 215) = ( 0.0245902 0.0141971 0.0100389), wk = 0.0021459 k( 216) = ( 0.0327869 0.0189295 0.0133852), wk = 0.0021459 k( 217) = ( 0.0409836 0.0236619 0.0167315), wk = 0.0021459 k( 218) = ( 0.0491803 0.0283943 0.0200778), wk = 0.0021459 k( 219) = ( 0.0573770 0.0331267 0.0234241), wk = 0.0021459 k( 220) = ( 0.0655738 0.0378590 0.0267704), wk = 0.0021459 k( 221) = ( 0.0737705 0.0425914 0.0301167), wk = 0.0021459 k( 222) = ( 0.0819672 0.0473238 0.0334630), wk = 0.0021459 k( 223) = ( 0.0901639 0.0520562 0.0368093), wk = 0.0021459 k( 224) = ( 0.0983607 0.0567886 0.0401556), wk = 0.0021459 k( 225) = ( 0.1065574 0.0615209 0.0435019), wk = 0.0021459 k( 226) = ( 0.1147541 0.0662533 0.0468482), wk = 0.0021459 k( 227) = ( 0.1229508 0.0709857 0.0501945), wk = 0.0021459 k( 228) = ( 0.1311475 0.0757181 0.0535408), wk = 0.0021459 k( 229) = ( 0.1393443 0.0804504 0.0568871), wk = 0.0021459 k( 230) = ( 0.1475410 0.0851828 0.0602334), wk = 0.0021459 k( 231) = ( 0.1557377 0.0899152 0.0635796), wk = 0.0021459 k( 232) = ( 0.1639344 0.0946476 0.0669260), wk = 0.0021459 k( 233) = ( 0.1721312 0.0993800 0.0702722), wk = 0.0021459 k( 234) = ( 0.1803279 0.1041123 0.0736185), wk = 0.0021459 k( 235) = ( 0.1885246 0.1088447 0.0769648), wk = 0.0021459 k( 236) = ( 0.1967213 0.1135771 0.0803111), wk = 0.0021459 k( 237) = ( 0.2049180 0.1183095 0.0836574), wk = 0.0021459 k( 238) = ( 0.2131147 0.1230419 0.0870037), wk = 0.0021459 k( 239) = ( 0.2213115 0.1277742 0.0903500), wk = 0.0021459 k( 240) = ( 0.2295082 0.1325066 0.0936963), wk = 0.0021459 k( 241) = ( 0.2377049 0.1372390 0.0970426), wk = 0.0021459 k( 242) = ( 0.2459016 0.1419714 0.1003889), wk = 0.0021459 k( 243) = ( 0.2540984 0.1467038 0.1037352), wk = 0.0021459 k( 244) = ( 0.2622951 0.1514361 0.1070815), wk = 0.0021459 k( 245) = ( 0.2704918 0.1561685 0.1104278), wk = 0.0021459 k( 246) = ( 0.2786885 0.1609009 0.1137741), wk = 0.0021459 k( 247) = ( 0.2868852 0.1656333 0.1171204), wk = 0.0021459 k( 248) = ( 0.2950820 0.1703657 0.1204667), wk = 0.0021459 k( 249) = ( 0.3032787 0.1750980 0.1238130), wk = 0.0021459 k( 250) = ( 0.3114754 0.1798304 0.1271593), wk = 0.0021459 k( 251) = ( 0.3196721 0.1845628 0.1305056), wk = 0.0021459 k( 252) = ( 0.3278688 0.1892952 0.1338519), wk = 0.0021459 k( 253) = ( 0.3360656 0.1940275 0.1371982), wk = 0.0021459 k( 254) = ( 0.3442623 0.1987599 0.1405445), wk = 0.0021459 k( 255) = ( 0.3524590 0.2034923 0.1438908), wk = 0.0021459 k( 256) = ( 0.3606557 0.2082247 0.1472371), wk = 0.0021459 k( 257) = ( 0.3688525 0.2129571 0.1505834), wk = 0.0021459 k( 258) = ( 0.3770492 0.2176894 0.1539297), wk = 0.0021459 k( 259) = ( 0.3852459 0.2224218 0.1572760), wk = 0.0021459 k( 260) = ( 0.3934426 0.2271542 0.1606223), wk = 0.0021459 k( 261) = ( 0.4016393 0.2318866 0.1639686), wk = 0.0021459 k( 262) = ( 0.4098361 0.2366190 0.1673149), wk = 0.0021459 k( 263) = ( 0.4180328 0.2413513 0.1706612), wk = 0.0021459 k( 264) = ( 0.4262295 0.2460837 0.1740075), wk = 0.0021459 k( 265) = ( 0.4344262 0.2508161 0.1773538), wk = 0.0021459 k( 266) = ( 0.4426230 0.2555485 0.1807001), wk = 0.0021459 k( 267) = ( 0.4508197 0.2602809 0.1840464), wk = 0.0021459 k( 268) = ( 0.4590164 0.2650132 0.1873927), wk = 0.0021459 k( 269) = ( 0.4672131 0.2697456 0.1907390), wk = 0.0021459 k( 270) = ( 0.4754098 0.2744780 0.1940853), wk = 0.0021459 k( 271) = ( 0.4836066 0.2792104 0.1974316), wk = 0.0021459 k( 272) = ( 0.4918033 0.2839428 0.2007778), wk = 0.0021459 k( 273) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021459 k( 274) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021459 k( 275) = ( 0.5028409 0.2804741 0.2087633), wk = 0.0021459 k( 276) = ( 0.5056818 0.2722731 0.2134025), wk = 0.0021459 k( 277) = ( 0.5085227 0.2640721 0.2180417), wk = 0.0021459 k( 278) = ( 0.5113636 0.2558711 0.2226809), wk = 0.0021459 k( 279) = ( 0.5142045 0.2476701 0.2273201), wk = 0.0021459 k( 280) = ( 0.5170455 0.2394691 0.2319593), wk = 0.0021459 k( 281) = ( 0.5198864 0.2312681 0.2365984), wk = 0.0021459 k( 282) = ( 0.5227273 0.2230671 0.2412376), wk = 0.0021459 k( 283) = ( 0.5255682 0.2148662 0.2458768), wk = 0.0021459 k( 284) = ( 0.5284091 0.2066652 0.2505160), wk = 0.0021459 k( 285) = ( 0.5312500 0.1984642 0.2551552), wk = 0.0021459 k( 286) = ( 0.5340909 0.1902632 0.2597944), wk = 0.0021459 k( 287) = ( 0.5369318 0.1820622 0.2644336), wk = 0.0021459 k( 288) = ( 0.5397727 0.1738612 0.2690727), wk = 0.0021459 k( 289) = ( 0.5426136 0.1656602 0.2737119), wk = 0.0021459 k( 290) = ( 0.5454545 0.1574592 0.2783511), wk = 0.0021459 k( 291) = ( 0.5482955 0.1492582 0.2829903), wk = 0.0021459 k( 292) = ( 0.5511364 0.1410572 0.2876295), wk = 0.0021459 k( 293) = ( 0.5539773 0.1328562 0.2922687), wk = 0.0021459 k( 294) = ( 0.5568182 0.1246552 0.2969078), wk = 0.0021459 k( 295) = ( 0.5596591 0.1164542 0.3015470), wk = 0.0021459 k( 296) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0021459 k( 297) = ( 0.5653409 0.1000522 0.3108254), wk = 0.0021459 k( 298) = ( 0.5681818 0.0918512 0.3154646), wk = 0.0021459 k( 299) = ( 0.5710227 0.0836502 0.3201038), wk = 0.0021459 k( 300) = ( 0.5738636 0.0754492 0.3247430), wk = 0.0021459 k( 301) = ( 0.5767045 0.0672482 0.3293821), wk = 0.0021459 k( 302) = ( 0.5795455 0.0590472 0.3340213), wk = 0.0021459 k( 303) = ( 0.5823864 0.0508462 0.3386605), wk = 0.0021459 k( 304) = ( 0.5852273 0.0426452 0.3432997), wk = 0.0021459 k( 305) = ( 0.5880682 0.0344442 0.3479389), wk = 0.0021459 k( 306) = ( 0.5909091 0.0262432 0.3525781), wk = 0.0021459 k( 307) = ( 0.5937500 0.0180422 0.3572173), wk = 0.0021459 k( 308) = ( 0.5965909 0.0098412 0.3618564), wk = 0.0021459 k( 309) = ( 0.5994318 0.0016402 0.3664956), wk = 0.0021459 k( 310) = ( 0.6022727 -0.0065608 0.3711348), wk = 0.0021459 k( 311) = ( 0.6051136 -0.0147618 0.3757740), wk = 0.0021459 k( 312) = ( 0.6079545 -0.0229628 0.3804132), wk = 0.0021459 k( 313) = ( 0.6107955 -0.0311638 0.3850524), wk = 0.0021459 k( 314) = ( 0.6136364 -0.0393648 0.3896915), wk = 0.0021459 k( 315) = ( 0.6164773 -0.0475658 0.3943307), wk = 0.0021459 k( 316) = ( 0.6193182 -0.0557668 0.3989699), wk = 0.0021459 k( 317) = ( 0.6221591 -0.0639678 0.4036091), wk = 0.0021459 k( 318) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021459 k( 319) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021459 k( 320) = ( 0.6200000 -0.0692820 0.4164133), wk = 0.0021459 k( 321) = ( 0.6150000 -0.0663953 0.4245782), wk = 0.0021459 k( 322) = ( 0.6100000 -0.0635085 0.4327432), wk = 0.0021459 k( 323) = ( 0.6050000 -0.0606218 0.4409082), wk = 0.0021459 k( 324) = ( 0.6000000 -0.0577350 0.4490731), wk = 0.0021459 k( 325) = ( 0.5950000 -0.0548483 0.4572381), wk = 0.0021459 k( 326) = ( 0.5900000 -0.0519615 0.4654031), wk = 0.0021459 k( 327) = ( 0.5850000 -0.0490748 0.4735680), wk = 0.0021459 k( 328) = ( 0.5800000 -0.0461880 0.4817330), wk = 0.0021459 k( 329) = ( 0.5750000 -0.0433013 0.4898979), wk = 0.0021459 k( 330) = ( 0.5700000 -0.0404145 0.4980629), wk = 0.0021459 k( 331) = ( 0.5650000 -0.0375278 0.5062279), wk = 0.0021459 k( 332) = ( 0.5600000 -0.0346410 0.5143928), wk = 0.0021459 k( 333) = ( 0.5550000 -0.0317543 0.5225578), wk = 0.0021459 k( 334) = ( 0.5500000 -0.0288675 0.5307228), wk = 0.0021459 k( 335) = ( 0.5450000 -0.0259808 0.5388877), wk = 0.0021459 k( 336) = ( 0.5400000 -0.0230940 0.5470527), wk = 0.0021459 k( 337) = ( 0.5350000 -0.0202073 0.5552177), wk = 0.0021459 k( 338) = ( 0.5300000 -0.0173205 0.5633826), wk = 0.0021459 k( 339) = ( 0.5250000 -0.0144338 0.5715476), wk = 0.0021459 k( 340) = ( 0.5200000 -0.0115470 0.5797126), wk = 0.0021459 k( 341) = ( 0.5150000 -0.0086603 0.5878775), wk = 0.0021459 k( 342) = ( 0.5100000 -0.0057735 0.5960425), wk = 0.0021459 k( 343) = ( 0.5050000 -0.0028868 0.6042075), wk = 0.0021459 k( 344) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021459 k( 345) = ( 0.5000000 0.0000000 0.6123724), wk = 0.0021459 k( 346) = ( 0.5000000 0.0057735 0.6042075), wk = 0.0021459 k( 347) = ( 0.5000000 0.0115470 0.5960425), wk = 0.0021459 k( 348) = ( 0.5000000 0.0173205 0.5878775), wk = 0.0021459 k( 349) = ( 0.5000000 0.0230940 0.5797126), wk = 0.0021459 k( 350) = ( 0.5000000 0.0288675 0.5715476), wk = 0.0021459 k( 351) = ( 0.5000000 0.0346410 0.5633826), wk = 0.0021459 k( 352) = ( 0.5000000 0.0404145 0.5552177), wk = 0.0021459 k( 353) = ( 0.5000000 0.0461880 0.5470527), wk = 0.0021459 k( 354) = ( 0.5000000 0.0519615 0.5388877), wk = 0.0021459 k( 355) = ( 0.5000000 0.0577350 0.5307228), wk = 0.0021459 k( 356) = ( 0.5000000 0.0635085 0.5225578), wk = 0.0021459 k( 357) = ( 0.5000000 0.0692820 0.5143928), wk = 0.0021459 k( 358) = ( 0.5000000 0.0750555 0.5062279), wk = 0.0021459 k( 359) = ( 0.5000000 0.0808290 0.4980629), wk = 0.0021459 k( 360) = ( 0.5000000 0.0866025 0.4898979), wk = 0.0021459 k( 361) = ( 0.5000000 0.0923760 0.4817330), wk = 0.0021459 k( 362) = ( 0.5000000 0.0981495 0.4735680), wk = 0.0021459 k( 363) = ( 0.5000000 0.1039230 0.4654031), wk = 0.0021459 k( 364) = ( 0.5000000 0.1096966 0.4572381), wk = 0.0021459 k( 365) = ( 0.5000000 0.1154701 0.4490731), wk = 0.0021459 k( 366) = ( 0.5000000 0.1212436 0.4409082), wk = 0.0021459 k( 367) = ( 0.5000000 0.1270171 0.4327432), wk = 0.0021459 k( 368) = ( 0.5000000 0.1327906 0.4245782), wk = 0.0021459 k( 369) = ( 0.5000000 0.1385641 0.4164133), wk = 0.0021459 k( 370) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0021459 k( 371) = ( 0.5000000 0.1501111 0.4000833), wk = 0.0021459 k( 372) = ( 0.5000000 0.1558846 0.3919184), wk = 0.0021459 k( 373) = ( 0.5000000 0.1616581 0.3837534), wk = 0.0021459 k( 374) = ( 0.5000000 0.1674316 0.3755884), wk = 0.0021459 k( 375) = ( 0.5000000 0.1732051 0.3674235), wk = 0.0021459 k( 376) = ( 0.5000000 0.1789786 0.3592585), wk = 0.0021459 k( 377) = ( 0.5000000 0.1847521 0.3510935), wk = 0.0021459 k( 378) = ( 0.5000000 0.1905256 0.3429286), wk = 0.0021459 k( 379) = ( 0.5000000 0.1962991 0.3347636), wk = 0.0021459 k( 380) = ( 0.5000000 0.2020726 0.3265986), wk = 0.0021459 k( 381) = ( 0.5000000 0.2078461 0.3184337), wk = 0.0021459 k( 382) = ( 0.5000000 0.2136196 0.3102687), wk = 0.0021459 k( 383) = ( 0.5000000 0.2193931 0.3021037), wk = 0.0021459 k( 384) = ( 0.5000000 0.2251666 0.2939388), wk = 0.0021459 k( 385) = ( 0.5000000 0.2309401 0.2857738), wk = 0.0021459 k( 386) = ( 0.5000000 0.2367136 0.2776088), wk = 0.0021459 k( 387) = ( 0.5000000 0.2424871 0.2694439), wk = 0.0021459 k( 388) = ( 0.5000000 0.2482606 0.2612789), wk = 0.0021459 k( 389) = ( 0.5000000 0.2540341 0.2531139), wk = 0.0021459 k( 390) = ( 0.5000000 0.2598076 0.2449490), wk = 0.0021459 k( 391) = ( 0.5000000 0.2655811 0.2367840), wk = 0.0021459 k( 392) = ( 0.5000000 0.2713546 0.2286190), wk = 0.0021459 k( 393) = ( 0.5000000 0.2771281 0.2204541), wk = 0.0021459 k( 394) = ( 0.5000000 0.2829016 0.2122891), wk = 0.0021459 k( 395) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021459 k( 396) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0021459 k( 397) = ( 0.4971591 0.2870349 0.2134025), wk = 0.0021459 k( 398) = ( 0.4943182 0.2853947 0.2226809), wk = 0.0021459 k( 399) = ( 0.4914773 0.2837545 0.2319593), wk = 0.0021459 k( 400) = ( 0.4886364 0.2821143 0.2412376), wk = 0.0021459 k( 401) = ( 0.4857955 0.2804741 0.2505160), wk = 0.0021459 k( 402) = ( 0.4829545 0.2788339 0.2597944), wk = 0.0021459 k( 403) = ( 0.4801136 0.2771937 0.2690727), wk = 0.0021459 k( 404) = ( 0.4772727 0.2755535 0.2783511), wk = 0.0021459 k( 405) = ( 0.4744318 0.2739133 0.2876295), wk = 0.0021459 k( 406) = ( 0.4715909 0.2722731 0.2969078), wk = 0.0021459 k( 407) = ( 0.4687500 0.2706329 0.3061862), wk = 0.0021459 k( 408) = ( 0.4659091 0.2689927 0.3154646), wk = 0.0021459 k( 409) = ( 0.4630682 0.2673525 0.3247430), wk = 0.0021459 k( 410) = ( 0.4602273 0.2657123 0.3340213), wk = 0.0021459 k( 411) = ( 0.4573864 0.2640721 0.3432997), wk = 0.0021459 k( 412) = ( 0.4545455 0.2624319 0.3525781), wk = 0.0021459 k( 413) = ( 0.4517045 0.2607917 0.3618564), wk = 0.0021459 k( 414) = ( 0.4488636 0.2591515 0.3711348), wk = 0.0021459 k( 415) = ( 0.4460227 0.2575113 0.3804132), wk = 0.0021459 k( 416) = ( 0.4431818 0.2558711 0.3896915), wk = 0.0021459 k( 417) = ( 0.4403409 0.2542309 0.3989699), wk = 0.0021459 k( 418) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0021459 k( 419) = ( 0.4346591 0.2509505 0.4175267), wk = 0.0021459 k( 420) = ( 0.4318182 0.2493103 0.4268050), wk = 0.0021459 k( 421) = ( 0.4289773 0.2476701 0.4360834), wk = 0.0021459 k( 422) = ( 0.4261364 0.2460299 0.4453618), wk = 0.0021459 k( 423) = ( 0.4232955 0.2443897 0.4546401), wk = 0.0021459 k( 424) = ( 0.4204545 0.2427495 0.4639185), wk = 0.0021459 k( 425) = ( 0.4176136 0.2411093 0.4731969), wk = 0.0021459 k( 426) = ( 0.4147727 0.2394691 0.4824753), wk = 0.0021459 k( 427) = ( 0.4119318 0.2378289 0.4917536), wk = 0.0021459 k( 428) = ( 0.4090909 0.2361887 0.5010320), wk = 0.0021459 k( 429) = ( 0.4062500 0.2345485 0.5103104), wk = 0.0021459 k( 430) = ( 0.4034091 0.2329083 0.5195887), wk = 0.0021459 k( 431) = ( 0.4005682 0.2312681 0.5288671), wk = 0.0021459 k( 432) = ( 0.3977273 0.2296279 0.5381455), wk = 0.0021459 k( 433) = ( 0.3948864 0.2279877 0.5474238), wk = 0.0021459 k( 434) = ( 0.3920455 0.2263475 0.5567022), wk = 0.0021459 k( 435) = ( 0.3892045 0.2247074 0.5659806), wk = 0.0021459 k( 436) = ( 0.3863636 0.2230672 0.5752590), wk = 0.0021459 k( 437) = ( 0.3835227 0.2214270 0.5845373), wk = 0.0021459 k( 438) = ( 0.3806818 0.2197868 0.5938157), wk = 0.0021459 k( 439) = ( 0.3778409 0.2181466 0.6030941), wk = 0.0021459 k( 440) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0021459 k( 441) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0021459 k( 442) = ( 0.6200000 -0.0808290 0.4082483), wk = 0.0021459 k( 443) = ( 0.6150000 -0.0894893 0.4082483), wk = 0.0021459 k( 444) = ( 0.6100000 -0.0981495 0.4082483), wk = 0.0021459 k( 445) = ( 0.6050000 -0.1068098 0.4082483), wk = 0.0021459 k( 446) = ( 0.6000000 -0.1154701 0.4082483), wk = 0.0021459 k( 447) = ( 0.5950000 -0.1241303 0.4082483), wk = 0.0021459 k( 448) = ( 0.5900000 -0.1327906 0.4082483), wk = 0.0021459 k( 449) = ( 0.5850000 -0.1414508 0.4082483), wk = 0.0021459 k( 450) = ( 0.5800000 -0.1501111 0.4082483), wk = 0.0021459 k( 451) = ( 0.5750000 -0.1587713 0.4082483), wk = 0.0021459 k( 452) = ( 0.5700000 -0.1674316 0.4082483), wk = 0.0021459 k( 453) = ( 0.5650000 -0.1760918 0.4082483), wk = 0.0021459 k( 454) = ( 0.5600000 -0.1847521 0.4082483), wk = 0.0021459 k( 455) = ( 0.5550000 -0.1934123 0.4082483), wk = 0.0021459 k( 456) = ( 0.5500000 -0.2020726 0.4082483), wk = 0.0021459 k( 457) = ( 0.5450000 -0.2107328 0.4082483), wk = 0.0021459 k( 458) = ( 0.5400000 -0.2193931 0.4082483), wk = 0.0021459 k( 459) = ( 0.5350000 -0.2280534 0.4082483), wk = 0.0021459 k( 460) = ( 0.5300000 -0.2367136 0.4082483), wk = 0.0021459 k( 461) = ( 0.5250000 -0.2453739 0.4082483), wk = 0.0021459 k( 462) = ( 0.5200000 -0.2540341 0.4082483), wk = 0.0021459 k( 463) = ( 0.5150000 -0.2626944 0.4082483), wk = 0.0021459 k( 464) = ( 0.5100000 -0.2713546 0.4082483), wk = 0.0021459 k( 465) = ( 0.5050000 -0.2800149 0.4082483), wk = 0.0021459 k( 466) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0021459 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 2) = ( 0.0070422 0.0000000 0.0070422), wk = 0.0021459 k( 3) = ( 0.0140845 0.0000000 0.0140845), wk = 0.0021459 k( 4) = ( 0.0211268 0.0000000 0.0211268), wk = 0.0021459 k( 5) = ( 0.0281690 0.0000000 0.0281690), wk = 0.0021459 k( 6) = ( 0.0352113 0.0000000 0.0352113), wk = 0.0021459 k( 7) = ( 0.0422535 0.0000000 0.0422535), wk = 0.0021459 k( 8) = ( 0.0492958 0.0000000 0.0492958), wk = 0.0021459 k( 9) = ( 0.0563380 0.0000000 0.0563380), wk = 0.0021459 k( 10) = ( 0.0633803 0.0000000 0.0633803), wk = 0.0021459 k( 11) = ( 0.0704225 0.0000000 0.0704225), wk = 0.0021459 k( 12) = ( 0.0774648 0.0000000 0.0774648), wk = 0.0021459 k( 13) = ( 0.0845070 0.0000000 0.0845070), wk = 0.0021459 k( 14) = ( 0.0915493 0.0000000 0.0915493), wk = 0.0021459 k( 15) = ( 0.0985916 0.0000000 0.0985915), wk = 0.0021459 k( 16) = ( 0.1056338 0.0000000 0.1056338), wk = 0.0021459 k( 17) = ( 0.1126761 0.0000000 0.1126761), wk = 0.0021459 k( 18) = ( 0.1197183 0.0000000 0.1197183), wk = 0.0021459 k( 19) = ( 0.1267606 0.0000000 0.1267606), wk = 0.0021459 k( 20) = ( 0.1338028 0.0000000 0.1338028), wk = 0.0021459 k( 21) = ( 0.1408451 0.0000000 0.1408451), wk = 0.0021459 k( 22) = ( 0.1478873 0.0000000 0.1478873), wk = 0.0021459 k( 23) = ( 0.1549296 0.0000000 0.1549296), wk = 0.0021459 k( 24) = ( 0.1619718 0.0000000 0.1619718), wk = 0.0021459 k( 25) = ( 0.1690141 0.0000000 0.1690141), wk = 0.0021459 k( 26) = ( 0.1760563 0.0000000 0.1760563), wk = 0.0021459 k( 27) = ( 0.1830986 0.0000000 0.1830986), wk = 0.0021459 k( 28) = ( 0.1901409 0.0000000 0.1901408), wk = 0.0021459 k( 29) = ( 0.1971831 0.0000000 0.1971831), wk = 0.0021459 k( 30) = ( 0.2042253 0.0000000 0.2042253), wk = 0.0021459 k( 31) = ( 0.2112676 0.0000000 0.2112676), wk = 0.0021459 k( 32) = ( 0.2183099 0.0000000 0.2183099), wk = 0.0021459 k( 33) = ( 0.2253521 0.0000000 0.2253521), wk = 0.0021459 k( 34) = ( 0.2323944 0.0000000 0.2323944), wk = 0.0021459 k( 35) = ( 0.2394366 0.0000000 0.2394366), wk = 0.0021459 k( 36) = ( 0.2464789 0.0000000 0.2464789), wk = 0.0021459 k( 37) = ( 0.2535211 0.0000000 0.2535211), wk = 0.0021459 k( 38) = ( 0.2605634 0.0000000 0.2605634), wk = 0.0021459 k( 39) = ( 0.2676056 0.0000000 0.2676056), wk = 0.0021459 k( 40) = ( 0.2746479 0.0000000 0.2746479), wk = 0.0021459 k( 41) = ( 0.2816901 0.0000000 0.2816901), wk = 0.0021459 k( 42) = ( 0.2887324 0.0000000 0.2887324), wk = 0.0021459 k( 43) = ( 0.2957746 0.0000000 0.2957746), wk = 0.0021459 k( 44) = ( 0.3028169 0.0000000 0.3028169), wk = 0.0021459 k( 45) = ( 0.3098592 0.0000000 0.3098591), wk = 0.0021459 k( 46) = ( 0.3169014 0.0000000 0.3169014), wk = 0.0021459 k( 47) = ( 0.3239437 0.0000000 0.3239437), wk = 0.0021459 k( 48) = ( 0.3309859 0.0000000 0.3309859), wk = 0.0021459 k( 49) = ( 0.3380282 0.0000000 0.3380282), wk = 0.0021459 k( 50) = ( 0.3450704 0.0000000 0.3450704), wk = 0.0021459 k( 51) = ( 0.3521127 0.0000000 0.3521127), wk = 0.0021459 k( 52) = ( 0.3591549 0.0000000 0.3591549), wk = 0.0021459 k( 53) = ( 0.3661972 0.0000000 0.3661972), wk = 0.0021459 k( 54) = ( 0.3732394 0.0000000 0.3732394), wk = 0.0021459 k( 55) = ( 0.3802817 0.0000000 0.3802817), wk = 0.0021459 k( 56) = ( 0.3873239 0.0000000 0.3873239), wk = 0.0021459 k( 57) = ( 0.3943662 0.0000000 0.3943662), wk = 0.0021459 k( 58) = ( 0.4014085 0.0000000 0.4014084), wk = 0.0021459 k( 59) = ( 0.4084507 0.0000000 0.4084507), wk = 0.0021459 k( 60) = ( 0.4154930 0.0000000 0.4154930), wk = 0.0021459 k( 61) = ( 0.4225352 0.0000000 0.4225352), wk = 0.0021459 k( 62) = ( 0.4295775 0.0000000 0.4295775), wk = 0.0021459 k( 63) = ( 0.4366197 0.0000000 0.4366197), wk = 0.0021459 k( 64) = ( 0.4436620 0.0000000 0.4436620), wk = 0.0021459 k( 65) = ( 0.4507042 0.0000000 0.4507042), wk = 0.0021459 k( 66) = ( 0.4577465 0.0000000 0.4577465), wk = 0.0021459 k( 67) = ( 0.4647887 0.0000000 0.4647887), wk = 0.0021459 k( 68) = ( 0.4718310 0.0000000 0.4718310), wk = 0.0021459 k( 69) = ( 0.4788732 0.0000000 0.4788732), wk = 0.0021459 k( 70) = ( 0.4859155 0.0000000 0.4859155), wk = 0.0021459 k( 71) = ( 0.4929577 0.0000000 0.4929577), wk = 0.0021459 k( 72) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021459 k( 73) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021459 k( 74) = ( 0.5000000 0.0069444 0.5069444), wk = 0.0021459 k( 75) = ( 0.5000000 0.0138889 0.5138889), wk = 0.0021459 k( 76) = ( 0.5000000 0.0208333 0.5208333), wk = 0.0021459 k( 77) = ( 0.5000000 0.0277778 0.5277778), wk = 0.0021459 k( 78) = ( 0.5000000 0.0347222 0.5347222), wk = 0.0021459 k( 79) = ( 0.5000000 0.0416667 0.5416667), wk = 0.0021459 k( 80) = ( 0.5000000 0.0486111 0.5486111), wk = 0.0021459 k( 81) = ( 0.5000000 0.0555556 0.5555556), wk = 0.0021459 k( 82) = ( 0.5000000 0.0625000 0.5625000), wk = 0.0021459 k( 83) = ( 0.5000000 0.0694444 0.5694444), wk = 0.0021459 k( 84) = ( 0.5000000 0.0763889 0.5763889), wk = 0.0021459 k( 85) = ( 0.5000000 0.0833333 0.5833333), wk = 0.0021459 k( 86) = ( 0.5000000 0.0902778 0.5902778), wk = 0.0021459 k( 87) = ( 0.5000000 0.0972222 0.5972222), wk = 0.0021459 k( 88) = ( 0.5000000 0.1041667 0.6041667), wk = 0.0021459 k( 89) = ( 0.5000000 0.1111111 0.6111111), wk = 0.0021459 k( 90) = ( 0.5000000 0.1180556 0.6180556), wk = 0.0021459 k( 91) = ( 0.5000000 0.1250000 0.6250000), wk = 0.0021459 k( 92) = ( 0.5000000 0.1319444 0.6319444), wk = 0.0021459 k( 93) = ( 0.5000000 0.1388889 0.6388889), wk = 0.0021459 k( 94) = ( 0.5000000 0.1458333 0.6458333), wk = 0.0021459 k( 95) = ( 0.5000000 0.1527778 0.6527778), wk = 0.0021459 k( 96) = ( 0.5000000 0.1597222 0.6597222), wk = 0.0021459 k( 97) = ( 0.5000000 0.1666667 0.6666667), wk = 0.0021459 k( 98) = ( 0.5000000 0.1736111 0.6736111), wk = 0.0021459 k( 99) = ( 0.5000000 0.1805556 0.6805556), wk = 0.0021459 k( 100) = ( 0.5000000 0.1875000 0.6875000), wk = 0.0021459 k( 101) = ( 0.5000000 0.1944444 0.6944444), wk = 0.0021459 k( 102) = ( 0.5000000 0.2013889 0.7013889), wk = 0.0021459 k( 103) = ( 0.5000000 0.2083333 0.7083333), wk = 0.0021459 k( 104) = ( 0.5000000 0.2152778 0.7152778), wk = 0.0021459 k( 105) = ( 0.5000000 0.2222222 0.7222222), wk = 0.0021459 k( 106) = ( 0.5000000 0.2291667 0.7291667), wk = 0.0021459 k( 107) = ( 0.5000000 0.2361111 0.7361111), wk = 0.0021459 k( 108) = ( 0.5000000 0.2430556 0.7430556), wk = 0.0021459 k( 109) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021459 k( 110) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021459 k( 111) = ( 0.4950000 0.2550000 0.7500000), wk = 0.0021459 k( 112) = ( 0.4900000 0.2600000 0.7500000), wk = 0.0021459 k( 113) = ( 0.4850000 0.2650000 0.7500000), wk = 0.0021459 k( 114) = ( 0.4800000 0.2700000 0.7500000), wk = 0.0021459 k( 115) = ( 0.4750000 0.2750000 0.7500000), wk = 0.0021459 k( 116) = ( 0.4700000 0.2800000 0.7500000), wk = 0.0021459 k( 117) = ( 0.4650000 0.2850000 0.7500000), wk = 0.0021459 k( 118) = ( 0.4600000 0.2900000 0.7500000), wk = 0.0021459 k( 119) = ( 0.4550000 0.2950000 0.7500000), wk = 0.0021459 k( 120) = ( 0.4500000 0.3000000 0.7500000), wk = 0.0021459 k( 121) = ( 0.4450000 0.3050000 0.7500000), wk = 0.0021459 k( 122) = ( 0.4400000 0.3100000 0.7500000), wk = 0.0021459 k( 123) = ( 0.4350000 0.3150000 0.7500000), wk = 0.0021459 k( 124) = ( 0.4300000 0.3200000 0.7500000), wk = 0.0021459 k( 125) = ( 0.4250000 0.3250000 0.7500000), wk = 0.0021459 k( 126) = ( 0.4200000 0.3300000 0.7500000), wk = 0.0021459 k( 127) = ( 0.4150000 0.3350000 0.7500000), wk = 0.0021459 k( 128) = ( 0.4100000 0.3400000 0.7500000), wk = 0.0021459 k( 129) = ( 0.4050000 0.3450000 0.7500000), wk = 0.0021459 k( 130) = ( 0.4000000 0.3500000 0.7500000), wk = 0.0021459 k( 131) = ( 0.3950000 0.3550000 0.7500000), wk = 0.0021459 k( 132) = ( 0.3900000 0.3600000 0.7500000), wk = 0.0021459 k( 133) = ( 0.3850000 0.3650000 0.7500000), wk = 0.0021459 k( 134) = ( 0.3800000 0.3700000 0.7500000), wk = 0.0021459 k( 135) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021459 k( 136) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021459 k( 137) = ( 0.3700000 0.3700000 0.7400000), wk = 0.0021459 k( 138) = ( 0.3650000 0.3650000 0.7300000), wk = 0.0021459 k( 139) = ( 0.3600000 0.3600000 0.7200000), wk = 0.0021459 k( 140) = ( 0.3550000 0.3550000 0.7100000), wk = 0.0021459 k( 141) = ( 0.3500000 0.3500000 0.7000000), wk = 0.0021459 k( 142) = ( 0.3450000 0.3450000 0.6900000), wk = 0.0021459 k( 143) = ( 0.3400000 0.3400000 0.6800000), wk = 0.0021459 k( 144) = ( 0.3350000 0.3350000 0.6700000), wk = 0.0021459 k( 145) = ( 0.3300000 0.3300000 0.6600000), wk = 0.0021459 k( 146) = ( 0.3250000 0.3250000 0.6500000), wk = 0.0021459 k( 147) = ( 0.3200000 0.3200000 0.6400000), wk = 0.0021459 k( 148) = ( 0.3150000 0.3150000 0.6300000), wk = 0.0021459 k( 149) = ( 0.3100000 0.3100000 0.6200000), wk = 0.0021459 k( 150) = ( 0.3050000 0.3050000 0.6100000), wk = 0.0021459 k( 151) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0021459 k( 152) = ( 0.2950000 0.2950000 0.5900000), wk = 0.0021459 k( 153) = ( 0.2900000 0.2900000 0.5800000), wk = 0.0021459 k( 154) = ( 0.2850000 0.2850000 0.5700000), wk = 0.0021459 k( 155) = ( 0.2800000 0.2800000 0.5600000), wk = 0.0021459 k( 156) = ( 0.2750000 0.2750000 0.5500000), wk = 0.0021459 k( 157) = ( 0.2700000 0.2700000 0.5400000), wk = 0.0021459 k( 158) = ( 0.2650000 0.2650000 0.5300000), wk = 0.0021459 k( 159) = ( 0.2600000 0.2600000 0.5200000), wk = 0.0021459 k( 160) = ( 0.2550000 0.2550000 0.5100000), wk = 0.0021459 k( 161) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0021459 k( 162) = ( 0.2450000 0.2450000 0.4900000), wk = 0.0021459 k( 163) = ( 0.2400000 0.2400000 0.4800000), wk = 0.0021459 k( 164) = ( 0.2350000 0.2350000 0.4700000), wk = 0.0021459 k( 165) = ( 0.2300000 0.2300000 0.4600000), wk = 0.0021459 k( 166) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0021459 k( 167) = ( 0.2200000 0.2200000 0.4400000), wk = 0.0021459 k( 168) = ( 0.2150000 0.2150000 0.4300000), wk = 0.0021459 k( 169) = ( 0.2100000 0.2100000 0.4200000), wk = 0.0021459 k( 170) = ( 0.2050000 0.2050000 0.4100000), wk = 0.0021459 k( 171) = ( 0.2000000 0.2000000 0.4000000), wk = 0.0021459 k( 172) = ( 0.1950000 0.1950000 0.3900000), wk = 0.0021459 k( 173) = ( 0.1900000 0.1900000 0.3800000), wk = 0.0021459 k( 174) = ( 0.1850000 0.1850000 0.3700000), wk = 0.0021459 k( 175) = ( 0.1800000 0.1800000 0.3600000), wk = 0.0021459 k( 176) = ( 0.1750000 0.1750000 0.3500000), wk = 0.0021459 k( 177) = ( 0.1700000 0.1700000 0.3400000), wk = 0.0021459 k( 178) = ( 0.1650000 0.1650000 0.3300000), wk = 0.0021459 k( 179) = ( 0.1600000 0.1600000 0.3200000), wk = 0.0021459 k( 180) = ( 0.1550000 0.1550000 0.3100000), wk = 0.0021459 k( 181) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0021459 k( 182) = ( 0.1450000 0.1450000 0.2900000), wk = 0.0021459 k( 183) = ( 0.1400000 0.1400000 0.2800000), wk = 0.0021459 k( 184) = ( 0.1350000 0.1350000 0.2700000), wk = 0.0021459 k( 185) = ( 0.1300000 0.1300000 0.2600000), wk = 0.0021459 k( 186) = ( 0.1250000 0.1250000 0.2500000), wk = 0.0021459 k( 187) = ( 0.1200000 0.1200000 0.2400000), wk = 0.0021459 k( 188) = ( 0.1150000 0.1150000 0.2300000), wk = 0.0021459 k( 189) = ( 0.1100000 0.1100000 0.2200000), wk = 0.0021459 k( 190) = ( 0.1050000 0.1050000 0.2100000), wk = 0.0021459 k( 191) = ( 0.1000000 0.1000000 0.2000000), wk = 0.0021459 k( 192) = ( 0.0950000 0.0950000 0.1900000), wk = 0.0021459 k( 193) = ( 0.0900000 0.0900000 0.1800000), wk = 0.0021459 k( 194) = ( 0.0850000 0.0850000 0.1700000), wk = 0.0021459 k( 195) = ( 0.0800000 0.0800000 0.1600000), wk = 0.0021459 k( 196) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0021459 k( 197) = ( 0.0700000 0.0700000 0.1400000), wk = 0.0021459 k( 198) = ( 0.0650000 0.0650000 0.1300000), wk = 0.0021459 k( 199) = ( 0.0600000 0.0600000 0.1200000), wk = 0.0021459 k( 200) = ( 0.0550000 0.0550000 0.1100000), wk = 0.0021459 k( 201) = ( 0.0500000 0.0500000 0.1000000), wk = 0.0021459 k( 202) = ( 0.0450000 0.0450000 0.0900000), wk = 0.0021459 k( 203) = ( 0.0400000 0.0400000 0.0800000), wk = 0.0021459 k( 204) = ( 0.0350000 0.0350000 0.0700000), wk = 0.0021459 k( 205) = ( 0.0300000 0.0300000 0.0600000), wk = 0.0021459 k( 206) = ( 0.0250000 0.0250000 0.0500000), wk = 0.0021459 k( 207) = ( 0.0200000 0.0200000 0.0400000), wk = 0.0021459 k( 208) = ( 0.0150000 0.0150000 0.0300000), wk = 0.0021459 k( 209) = ( 0.0100000 0.0100000 0.0200000), wk = 0.0021459 k( 210) = ( 0.0050000 0.0050000 0.0100000), wk = 0.0021459 k( 211) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 212) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021459 k( 213) = ( 0.0081967 0.0081967 0.0081967), wk = 0.0021459 k( 214) = ( 0.0163934 0.0163934 0.0163934), wk = 0.0021459 k( 215) = ( 0.0245902 0.0245902 0.0245902), wk = 0.0021459 k( 216) = ( 0.0327869 0.0327869 0.0327869), wk = 0.0021459 k( 217) = ( 0.0409836 0.0409836 0.0409836), wk = 0.0021459 k( 218) = ( 0.0491803 0.0491803 0.0491803), wk = 0.0021459 k( 219) = ( 0.0573770 0.0573770 0.0573770), wk = 0.0021459 k( 220) = ( 0.0655738 0.0655738 0.0655738), wk = 0.0021459 k( 221) = ( 0.0737705 0.0737705 0.0737705), wk = 0.0021459 k( 222) = ( 0.0819672 0.0819672 0.0819672), wk = 0.0021459 k( 223) = ( 0.0901639 0.0901639 0.0901639), wk = 0.0021459 k( 224) = ( 0.0983607 0.0983607 0.0983607), wk = 0.0021459 k( 225) = ( 0.1065574 0.1065574 0.1065574), wk = 0.0021459 k( 226) = ( 0.1147541 0.1147541 0.1147541), wk = 0.0021459 k( 227) = ( 0.1229508 0.1229508 0.1229508), wk = 0.0021459 k( 228) = ( 0.1311475 0.1311475 0.1311475), wk = 0.0021459 k( 229) = ( 0.1393443 0.1393443 0.1393443), wk = 0.0021459 k( 230) = ( 0.1475410 0.1475410 0.1475410), wk = 0.0021459 k( 231) = ( 0.1557377 0.1557377 0.1557377), wk = 0.0021459 k( 232) = ( 0.1639344 0.1639344 0.1639344), wk = 0.0021459 k( 233) = ( 0.1721312 0.1721312 0.1721311), wk = 0.0021459 k( 234) = ( 0.1803279 0.1803279 0.1803279), wk = 0.0021459 k( 235) = ( 0.1885246 0.1885246 0.1885246), wk = 0.0021459 k( 236) = ( 0.1967213 0.1967213 0.1967213), wk = 0.0021459 k( 237) = ( 0.2049180 0.2049180 0.2049180), wk = 0.0021459 k( 238) = ( 0.2131147 0.2131147 0.2131147), wk = 0.0021459 k( 239) = ( 0.2213115 0.2213115 0.2213115), wk = 0.0021459 k( 240) = ( 0.2295082 0.2295082 0.2295082), wk = 0.0021459 k( 241) = ( 0.2377049 0.2377049 0.2377049), wk = 0.0021459 k( 242) = ( 0.2459016 0.2459016 0.2459016), wk = 0.0021459 k( 243) = ( 0.2540984 0.2540984 0.2540984), wk = 0.0021459 k( 244) = ( 0.2622951 0.2622951 0.2622951), wk = 0.0021459 k( 245) = ( 0.2704918 0.2704918 0.2704918), wk = 0.0021459 k( 246) = ( 0.2786885 0.2786885 0.2786885), wk = 0.0021459 k( 247) = ( 0.2868852 0.2868852 0.2868852), wk = 0.0021459 k( 248) = ( 0.2950820 0.2950820 0.2950820), wk = 0.0021459 k( 249) = ( 0.3032787 0.3032787 0.3032787), wk = 0.0021459 k( 250) = ( 0.3114754 0.3114754 0.3114754), wk = 0.0021459 k( 251) = ( 0.3196721 0.3196721 0.3196721), wk = 0.0021459 k( 252) = ( 0.3278688 0.3278688 0.3278688), wk = 0.0021459 k( 253) = ( 0.3360656 0.3360656 0.3360656), wk = 0.0021459 k( 254) = ( 0.3442623 0.3442623 0.3442623), wk = 0.0021459 k( 255) = ( 0.3524590 0.3524590 0.3524590), wk = 0.0021459 k( 256) = ( 0.3606557 0.3606557 0.3606557), wk = 0.0021459 k( 257) = ( 0.3688525 0.3688525 0.3688525), wk = 0.0021459 k( 258) = ( 0.3770492 0.3770492 0.3770492), wk = 0.0021459 k( 259) = ( 0.3852459 0.3852459 0.3852459), wk = 0.0021459 k( 260) = ( 0.3934426 0.3934426 0.3934426), wk = 0.0021459 k( 261) = ( 0.4016393 0.4016393 0.4016393), wk = 0.0021459 k( 262) = ( 0.4098361 0.4098361 0.4098361), wk = 0.0021459 k( 263) = ( 0.4180328 0.4180328 0.4180328), wk = 0.0021459 k( 264) = ( 0.4262295 0.4262295 0.4262295), wk = 0.0021459 k( 265) = ( 0.4344262 0.4344262 0.4344262), wk = 0.0021459 k( 266) = ( 0.4426230 0.4426229 0.4426229), wk = 0.0021459 k( 267) = ( 0.4508197 0.4508197 0.4508197), wk = 0.0021459 k( 268) = ( 0.4590164 0.4590164 0.4590164), wk = 0.0021459 k( 269) = ( 0.4672131 0.4672131 0.4672131), wk = 0.0021459 k( 270) = ( 0.4754098 0.4754098 0.4754098), wk = 0.0021459 k( 271) = ( 0.4836066 0.4836066 0.4836066), wk = 0.0021459 k( 272) = ( 0.4918033 0.4918033 0.4918033), wk = 0.0021459 k( 273) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021459 k( 274) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021459 k( 275) = ( 0.5028409 0.4943182 0.5028409), wk = 0.0021459 k( 276) = ( 0.5056818 0.4886364 0.5056818), wk = 0.0021459 k( 277) = ( 0.5085227 0.4829545 0.5085227), wk = 0.0021459 k( 278) = ( 0.5113636 0.4772727 0.5113636), wk = 0.0021459 k( 279) = ( 0.5142045 0.4715909 0.5142045), wk = 0.0021459 k( 280) = ( 0.5170455 0.4659091 0.5170454), wk = 0.0021459 k( 281) = ( 0.5198864 0.4602273 0.5198864), wk = 0.0021459 k( 282) = ( 0.5227273 0.4545454 0.5227273), wk = 0.0021459 k( 283) = ( 0.5255682 0.4488636 0.5255682), wk = 0.0021459 k( 284) = ( 0.5284091 0.4431818 0.5284091), wk = 0.0021459 k( 285) = ( 0.5312500 0.4375000 0.5312500), wk = 0.0021459 k( 286) = ( 0.5340909 0.4318182 0.5340909), wk = 0.0021459 k( 287) = ( 0.5369318 0.4261364 0.5369318), wk = 0.0021459 k( 288) = ( 0.5397727 0.4204545 0.5397727), wk = 0.0021459 k( 289) = ( 0.5426136 0.4147727 0.5426136), wk = 0.0021459 k( 290) = ( 0.5454545 0.4090909 0.5454545), wk = 0.0021459 k( 291) = ( 0.5482955 0.4034091 0.5482954), wk = 0.0021459 k( 292) = ( 0.5511364 0.3977273 0.5511364), wk = 0.0021459 k( 293) = ( 0.5539773 0.3920455 0.5539773), wk = 0.0021459 k( 294) = ( 0.5568182 0.3863636 0.5568182), wk = 0.0021459 k( 295) = ( 0.5596591 0.3806818 0.5596591), wk = 0.0021459 k( 296) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0021459 k( 297) = ( 0.5653409 0.3693182 0.5653409), wk = 0.0021459 k( 298) = ( 0.5681818 0.3636364 0.5681818), wk = 0.0021459 k( 299) = ( 0.5710227 0.3579545 0.5710227), wk = 0.0021459 k( 300) = ( 0.5738636 0.3522727 0.5738636), wk = 0.0021459 k( 301) = ( 0.5767045 0.3465909 0.5767045), wk = 0.0021459 k( 302) = ( 0.5795455 0.3409091 0.5795454), wk = 0.0021459 k( 303) = ( 0.5823864 0.3352273 0.5823864), wk = 0.0021459 k( 304) = ( 0.5852273 0.3295455 0.5852273), wk = 0.0021459 k( 305) = ( 0.5880682 0.3238636 0.5880682), wk = 0.0021459 k( 306) = ( 0.5909091 0.3181818 0.5909091), wk = 0.0021459 k( 307) = ( 0.5937500 0.3125000 0.5937500), wk = 0.0021459 k( 308) = ( 0.5965909 0.3068182 0.5965909), wk = 0.0021459 k( 309) = ( 0.5994318 0.3011364 0.5994318), wk = 0.0021459 k( 310) = ( 0.6022727 0.2954545 0.6022727), wk = 0.0021459 k( 311) = ( 0.6051136 0.2897727 0.6051136), wk = 0.0021459 k( 312) = ( 0.6079545 0.2840909 0.6079545), wk = 0.0021459 k( 313) = ( 0.6107955 0.2784091 0.6107954), wk = 0.0021459 k( 314) = ( 0.6136364 0.2727273 0.6136364), wk = 0.0021459 k( 315) = ( 0.6164773 0.2670455 0.6164773), wk = 0.0021459 k( 316) = ( 0.6193182 0.2613636 0.6193182), wk = 0.0021459 k( 317) = ( 0.6221591 0.2556818 0.6221591), wk = 0.0021459 k( 318) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021459 k( 319) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021459 k( 320) = ( 0.6200000 0.2500000 0.6300000), wk = 0.0021459 k( 321) = ( 0.6150000 0.2500000 0.6350000), wk = 0.0021459 k( 322) = ( 0.6100000 0.2500000 0.6400000), wk = 0.0021459 k( 323) = ( 0.6050000 0.2500000 0.6450000), wk = 0.0021459 k( 324) = ( 0.6000000 0.2500000 0.6500000), wk = 0.0021459 k( 325) = ( 0.5950000 0.2500000 0.6550000), wk = 0.0021459 k( 326) = ( 0.5900000 0.2500000 0.6600000), wk = 0.0021459 k( 327) = ( 0.5850000 0.2500000 0.6650000), wk = 0.0021459 k( 328) = ( 0.5800000 0.2500000 0.6700000), wk = 0.0021459 k( 329) = ( 0.5750000 0.2500000 0.6750000), wk = 0.0021459 k( 330) = ( 0.5700000 0.2500000 0.6800000), wk = 0.0021459 k( 331) = ( 0.5650000 0.2500000 0.6850000), wk = 0.0021459 k( 332) = ( 0.5600000 0.2500000 0.6900000), wk = 0.0021459 k( 333) = ( 0.5550000 0.2500000 0.6950000), wk = 0.0021459 k( 334) = ( 0.5500000 0.2500000 0.7000000), wk = 0.0021459 k( 335) = ( 0.5450000 0.2500000 0.7050000), wk = 0.0021459 k( 336) = ( 0.5400000 0.2500000 0.7100000), wk = 0.0021459 k( 337) = ( 0.5350000 0.2500000 0.7150000), wk = 0.0021459 k( 338) = ( 0.5300000 0.2500000 0.7200000), wk = 0.0021459 k( 339) = ( 0.5250000 0.2500000 0.7250000), wk = 0.0021459 k( 340) = ( 0.5200000 0.2500000 0.7300000), wk = 0.0021459 k( 341) = ( 0.5150000 0.2500000 0.7350000), wk = 0.0021459 k( 342) = ( 0.5100000 0.2500000 0.7400000), wk = 0.0021459 k( 343) = ( 0.5050000 0.2500000 0.7450000), wk = 0.0021459 k( 344) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021459 k( 345) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0021459 k( 346) = ( 0.5000000 0.2550000 0.7450000), wk = 0.0021459 k( 347) = ( 0.5000000 0.2600000 0.7400000), wk = 0.0021459 k( 348) = ( 0.5000000 0.2650000 0.7350000), wk = 0.0021459 k( 349) = ( 0.5000000 0.2700000 0.7300000), wk = 0.0021459 k( 350) = ( 0.5000000 0.2750000 0.7250000), wk = 0.0021459 k( 351) = ( 0.5000000 0.2800000 0.7200000), wk = 0.0021459 k( 352) = ( 0.5000000 0.2850000 0.7150000), wk = 0.0021459 k( 353) = ( 0.5000000 0.2900000 0.7100000), wk = 0.0021459 k( 354) = ( 0.5000000 0.2950000 0.7050000), wk = 0.0021459 k( 355) = ( 0.5000000 0.3000000 0.7000000), wk = 0.0021459 k( 356) = ( 0.5000000 0.3050000 0.6950000), wk = 0.0021459 k( 357) = ( 0.5000000 0.3100000 0.6900000), wk = 0.0021459 k( 358) = ( 0.5000000 0.3150000 0.6850000), wk = 0.0021459 k( 359) = ( 0.5000000 0.3200000 0.6800000), wk = 0.0021459 k( 360) = ( 0.5000000 0.3250000 0.6750000), wk = 0.0021459 k( 361) = ( 0.5000000 0.3300000 0.6700000), wk = 0.0021459 k( 362) = ( 0.5000000 0.3350000 0.6650000), wk = 0.0021459 k( 363) = ( 0.5000000 0.3400000 0.6600000), wk = 0.0021459 k( 364) = ( 0.5000000 0.3450000 0.6550000), wk = 0.0021459 k( 365) = ( 0.5000000 0.3500000 0.6500000), wk = 0.0021459 k( 366) = ( 0.5000000 0.3550000 0.6450000), wk = 0.0021459 k( 367) = ( 0.5000000 0.3600000 0.6400000), wk = 0.0021459 k( 368) = ( 0.5000000 0.3650000 0.6350000), wk = 0.0021459 k( 369) = ( 0.5000000 0.3700000 0.6300000), wk = 0.0021459 k( 370) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0021459 k( 371) = ( 0.5000000 0.3800000 0.6200000), wk = 0.0021459 k( 372) = ( 0.5000000 0.3850000 0.6150000), wk = 0.0021459 k( 373) = ( 0.5000000 0.3900000 0.6100000), wk = 0.0021459 k( 374) = ( 0.5000000 0.3950000 0.6050000), wk = 0.0021459 k( 375) = ( 0.5000000 0.4000000 0.6000000), wk = 0.0021459 k( 376) = ( 0.5000000 0.4050000 0.5950000), wk = 0.0021459 k( 377) = ( 0.5000000 0.4100000 0.5900000), wk = 0.0021459 k( 378) = ( 0.5000000 0.4150000 0.5850000), wk = 0.0021459 k( 379) = ( 0.5000000 0.4200000 0.5800000), wk = 0.0021459 k( 380) = ( 0.5000000 0.4250000 0.5750000), wk = 0.0021459 k( 381) = ( 0.5000000 0.4300000 0.5700000), wk = 0.0021459 k( 382) = ( 0.5000000 0.4350000 0.5650000), wk = 0.0021459 k( 383) = ( 0.5000000 0.4400000 0.5600000), wk = 0.0021459 k( 384) = ( 0.5000000 0.4450000 0.5550000), wk = 0.0021459 k( 385) = ( 0.5000000 0.4500000 0.5500000), wk = 0.0021459 k( 386) = ( 0.5000000 0.4550000 0.5450000), wk = 0.0021459 k( 387) = ( 0.5000000 0.4600000 0.5400000), wk = 0.0021459 k( 388) = ( 0.5000000 0.4650000 0.5350000), wk = 0.0021459 k( 389) = ( 0.5000000 0.4700000 0.5300000), wk = 0.0021459 k( 390) = ( 0.5000000 0.4750000 0.5250000), wk = 0.0021459 k( 391) = ( 0.5000000 0.4800000 0.5200000), wk = 0.0021459 k( 392) = ( 0.5000000 0.4850000 0.5150000), wk = 0.0021459 k( 393) = ( 0.5000000 0.4900000 0.5100000), wk = 0.0021459 k( 394) = ( 0.5000000 0.4950000 0.5050000), wk = 0.0021459 k( 395) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021459 k( 396) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021459 k( 397) = ( 0.4971591 0.4971591 0.5056818), wk = 0.0021459 k( 398) = ( 0.4943182 0.4943182 0.5113636), wk = 0.0021459 k( 399) = ( 0.4914773 0.4914773 0.5170454), wk = 0.0021459 k( 400) = ( 0.4886364 0.4886364 0.5227273), wk = 0.0021459 k( 401) = ( 0.4857955 0.4857955 0.5284091), wk = 0.0021459 k( 402) = ( 0.4829545 0.4829545 0.5340909), wk = 0.0021459 k( 403) = ( 0.4801136 0.4801136 0.5397727), wk = 0.0021459 k( 404) = ( 0.4772727 0.4772727 0.5454545), wk = 0.0021459 k( 405) = ( 0.4744318 0.4744318 0.5511364), wk = 0.0021459 k( 406) = ( 0.4715909 0.4715909 0.5568182), wk = 0.0021459 k( 407) = ( 0.4687500 0.4687500 0.5625000), wk = 0.0021459 k( 408) = ( 0.4659091 0.4659091 0.5681818), wk = 0.0021459 k( 409) = ( 0.4630682 0.4630682 0.5738636), wk = 0.0021459 k( 410) = ( 0.4602273 0.4602273 0.5795455), wk = 0.0021459 k( 411) = ( 0.4573864 0.4573864 0.5852273), wk = 0.0021459 k( 412) = ( 0.4545455 0.4545454 0.5909091), wk = 0.0021459 k( 413) = ( 0.4517045 0.4517045 0.5965909), wk = 0.0021459 k( 414) = ( 0.4488636 0.4488636 0.6022727), wk = 0.0021459 k( 415) = ( 0.4460227 0.4460227 0.6079545), wk = 0.0021459 k( 416) = ( 0.4431818 0.4431818 0.6136364), wk = 0.0021459 k( 417) = ( 0.4403409 0.4403409 0.6193182), wk = 0.0021459 k( 418) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0021459 k( 419) = ( 0.4346591 0.4346591 0.6306818), wk = 0.0021459 k( 420) = ( 0.4318182 0.4318182 0.6363636), wk = 0.0021459 k( 421) = ( 0.4289773 0.4289773 0.6420454), wk = 0.0021459 k( 422) = ( 0.4261364 0.4261364 0.6477273), wk = 0.0021459 k( 423) = ( 0.4232955 0.4232955 0.6534091), wk = 0.0021459 k( 424) = ( 0.4204545 0.4204545 0.6590909), wk = 0.0021459 k( 425) = ( 0.4176136 0.4176136 0.6647727), wk = 0.0021459 k( 426) = ( 0.4147727 0.4147727 0.6704545), wk = 0.0021459 k( 427) = ( 0.4119318 0.4119318 0.6761364), wk = 0.0021459 k( 428) = ( 0.4090909 0.4090909 0.6818182), wk = 0.0021459 k( 429) = ( 0.4062500 0.4062500 0.6875000), wk = 0.0021459 k( 430) = ( 0.4034091 0.4034091 0.6931818), wk = 0.0021459 k( 431) = ( 0.4005682 0.4005682 0.6988636), wk = 0.0021459 k( 432) = ( 0.3977273 0.3977273 0.7045454), wk = 0.0021459 k( 433) = ( 0.3948864 0.3948864 0.7102273), wk = 0.0021459 k( 434) = ( 0.3920455 0.3920455 0.7159091), wk = 0.0021459 k( 435) = ( 0.3892045 0.3892045 0.7215909), wk = 0.0021459 k( 436) = ( 0.3863636 0.3863636 0.7272727), wk = 0.0021459 k( 437) = ( 0.3835227 0.3835227 0.7329545), wk = 0.0021459 k( 438) = ( 0.3806818 0.3806818 0.7386364), wk = 0.0021459 k( 439) = ( 0.3778409 0.3778409 0.7443182), wk = 0.0021459 k( 440) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0021459 k( 441) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0021459 k( 442) = ( 0.6200000 0.2400000 0.6200000), wk = 0.0021459 k( 443) = ( 0.6150000 0.2300000 0.6150000), wk = 0.0021459 k( 444) = ( 0.6100000 0.2200000 0.6100000), wk = 0.0021459 k( 445) = ( 0.6050000 0.2100000 0.6050000), wk = 0.0021459 k( 446) = ( 0.6000000 0.2000000 0.6000000), wk = 0.0021459 k( 447) = ( 0.5950000 0.1900000 0.5950000), wk = 0.0021459 k( 448) = ( 0.5900000 0.1800000 0.5900000), wk = 0.0021459 k( 449) = ( 0.5850000 0.1700000 0.5850000), wk = 0.0021459 k( 450) = ( 0.5800000 0.1600000 0.5800000), wk = 0.0021459 k( 451) = ( 0.5750000 0.1500000 0.5750000), wk = 0.0021459 k( 452) = ( 0.5700000 0.1400000 0.5700000), wk = 0.0021459 k( 453) = ( 0.5650000 0.1300000 0.5650000), wk = 0.0021459 k( 454) = ( 0.5600000 0.1200000 0.5600000), wk = 0.0021459 k( 455) = ( 0.5550000 0.1100000 0.5550000), wk = 0.0021459 k( 456) = ( 0.5500000 0.1000000 0.5500000), wk = 0.0021459 k( 457) = ( 0.5450000 0.0900000 0.5450000), wk = 0.0021459 k( 458) = ( 0.5400000 0.0800000 0.5400000), wk = 0.0021459 k( 459) = ( 0.5350000 0.0700000 0.5350000), wk = 0.0021459 k( 460) = ( 0.5300000 0.0600000 0.5300000), wk = 0.0021459 k( 461) = ( 0.5250000 0.0500000 0.5250000), wk = 0.0021459 k( 462) = ( 0.5200000 0.0400000 0.5200000), wk = 0.0021459 k( 463) = ( 0.5150000 0.0300000 0.5150000), wk = 0.0021459 k( 464) = ( 0.5100000 0.0200000 0.5100000), wk = 0.0021459 k( 465) = ( 0.5050000 0.0100000 0.5050000), wk = 0.0021459 k( 466) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021459 Dense grid: 14553 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 5961 G-vectors FFT dimensions: ( 25, 25, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 26) NL pseudopotentials 0.01 Mb ( 17, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 304) G-vector shells 0.00 Mb ( 133) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 34, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./GaN.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.8 secs Computing kpt #: 2 total cpu time spent up to now is 41.0 secs Computing kpt #: 3 total cpu time spent up to now is 41.2 secs Computing kpt #: 4 total cpu time spent up to now is 41.5 secs Computing kpt #: 5 total cpu time spent up to now is 41.7 secs Computing kpt #: 6 total cpu time spent up to now is 41.9 secs Computing kpt #: 7 total cpu time spent up to now is 42.0 secs Computing kpt #: 8 total cpu time spent up to now is 42.3 secs Computing kpt #: 9 total cpu time spent up to now is 42.5 secs Computing kpt #: 10 total cpu time spent up to now is 42.8 secs Computing kpt #: 11 total cpu time spent up to now is 42.9 secs Computing kpt #: 12 total cpu time spent up to now is 43.1 secs Computing kpt #: 13 total cpu time spent up to now is 43.3 secs Computing kpt #: 14 total cpu time spent up to now is 43.5 secs Computing kpt #: 15 total cpu time spent up to now is 43.6 secs Computing kpt #: 16 total cpu time spent up to now is 43.8 secs Computing kpt #: 17 total cpu time spent up to now is 44.0 secs Computing kpt #: 18 total cpu time spent up to now is 44.2 secs Computing kpt #: 19 total cpu time spent up to now is 44.3 secs Computing kpt #: 20 total cpu time spent up to now is 44.5 secs Computing kpt #: 21 total cpu time spent up to now is 44.7 secs Computing kpt #: 22 total cpu time spent up to now is 44.9 secs Computing kpt #: 23 total cpu time spent up to now is 45.0 secs Computing kpt #: 24 total cpu time spent up to now is 45.2 secs Computing kpt #: 25 total cpu time spent up to now is 46.2 secs Computing kpt #: 26 total cpu time spent up to now is 46.4 secs Computing kpt #: 27 total cpu time spent up to now is 46.5 secs Computing kpt #: 28 total cpu time spent up to now is 46.7 secs Computing kpt #: 29 total cpu time spent up to now is 46.9 secs Computing kpt #: 30 total cpu time spent up to now is 47.1 secs Computing kpt #: 31 total cpu time spent up to now is 47.3 secs Computing kpt #: 32 total cpu time spent up to now is 47.5 secs Computing kpt #: 33 total cpu time spent up to now is 47.7 secs Computing kpt #: 34 total cpu time spent up to now is 47.9 secs Computing kpt #: 35 total cpu time spent up to now is 48.1 secs Computing kpt #: 36 total cpu time spent up to now is 48.3 secs Computing kpt #: 37 total cpu time spent up to now is 48.5 secs Computing kpt #: 38 total cpu time spent up to now is 48.7 secs Computing kpt #: 39 total cpu time spent up to now is 48.9 secs Computing kpt #: 40 total cpu time spent up to now is 49.1 secs Computing kpt #: 41 total cpu time spent up to now is 49.3 secs Computing kpt #: 42 total cpu time spent up to now is 49.4 secs Computing kpt #: 43 total cpu time spent up to now is 49.8 secs Computing kpt #: 44 total cpu time spent up to now is 50.0 secs Computing kpt #: 45 total cpu time spent up to now is 50.1 secs Computing kpt #: 46 total cpu time spent up to now is 50.3 secs Computing kpt #: 47 total cpu time spent up to now is 50.5 secs Computing kpt #: 48 total cpu time spent up to now is 50.7 secs Computing kpt #: 49 total cpu time spent up to now is 50.9 secs Computing kpt #: 50 total cpu time spent up to now is 51.2 secs Computing kpt #: 51 total cpu time spent up to now is 51.4 secs Computing kpt #: 52 total cpu time spent up to now is 51.7 secs Computing kpt #: 53 total cpu time spent up to now is 51.9 secs Computing kpt #: 54 total cpu time spent up to now is 52.1 secs Computing kpt #: 55 total cpu time spent up to now is 52.7 secs Computing kpt #: 56 total cpu time spent up to now is 52.9 secs Computing kpt #: 57 total cpu time spent up to now is 53.6 secs Computing kpt #: 58 total cpu time spent up to now is 53.7 secs Computing kpt #: 59 total cpu time spent up to now is 54.5 secs Computing kpt #: 60 total cpu time spent up to now is 54.8 secs Computing kpt #: 61 total cpu time spent up to now is 55.4 secs Computing kpt #: 62 total cpu time spent up to now is 55.6 secs Computing kpt #: 63 total cpu time spent up to now is 55.8 secs Computing kpt #: 64 total cpu time spent up to now is 56.0 secs Computing kpt #: 65 total cpu time spent up to now is 56.2 secs Computing kpt #: 66 total cpu time spent up to now is 56.6 secs Computing kpt #: 67 total cpu time spent up to now is 57.0 secs Computing kpt #: 68 total cpu time spent up to now is 57.2 secs Computing kpt #: 69 total cpu time spent up to now is 57.3 secs Computing kpt #: 70 total cpu time spent up to now is 57.5 secs Computing kpt #: 71 total cpu time spent up to now is 57.7 secs Computing kpt #: 72 total cpu time spent up to now is 57.9 secs Computing kpt #: 73 total cpu time spent up to now is 58.1 secs Computing kpt #: 74 total cpu time spent up to now is 58.5 secs Computing kpt #: 75 total cpu time spent up to now is 58.8 secs Computing kpt #: 76 total cpu time spent up to now is 59.0 secs Computing kpt #: 77 total cpu time spent up to now is 59.2 secs Computing kpt #: 78 total cpu time spent up to now is 59.5 secs Computing kpt #: 79 total cpu time spent up to now is 59.7 secs Computing kpt #: 80 total cpu time spent up to now is 59.9 secs Computing kpt #: 81 total cpu time spent up to now is 60.1 secs Computing kpt #: 82 total cpu time spent up to now is 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secs Computing kpt #: 160 total cpu time spent up to now is 81.4 secs Computing kpt #: 161 total cpu time spent up to now is 81.6 secs Computing kpt #: 162 total cpu time spent up to now is 81.8 secs Computing kpt #: 163 total cpu time spent up to now is 82.0 secs Computing kpt #: 164 total cpu time spent up to now is 82.2 secs Computing kpt #: 165 total cpu time spent up to now is 82.4 secs Computing kpt #: 166 total cpu time spent up to now is 82.6 secs Computing kpt #: 167 total cpu time spent up to now is 82.9 secs Computing kpt #: 168 total cpu time spent up to now is 83.1 secs Computing kpt #: 169 total cpu time spent up to now is 83.4 secs Computing kpt #: 170 total cpu time spent up to now is 83.6 secs Computing kpt #: 171 total cpu time spent up to now is 83.9 secs Computing kpt #: 172 total cpu time spent up to now is 84.7 secs Computing kpt #: 173 total cpu time spent up to now is 85.4 secs Computing kpt #: 174 total cpu time spent up to now is 85.7 secs Computing kpt #: 175 total cpu time spent up to now is 86.1 secs Computing kpt #: 176 total cpu time spent up to now is 86.7 secs Computing kpt #: 177 total cpu time spent up to now is 87.0 secs Computing kpt #: 178 total cpu time spent up to now is 87.3 secs Computing kpt #: 179 total cpu time spent up to now is 88.0 secs Computing kpt #: 180 total cpu time spent up to now is 88.2 secs Computing kpt #: 181 total cpu time spent up to now is 88.8 secs Computing kpt #: 182 total cpu time spent up to now is 89.1 secs Computing kpt #: 183 total cpu time spent up to now is 89.4 secs Computing kpt #: 184 total cpu time spent up to now is 89.6 secs Computing kpt #: 185 total cpu time spent up to now is 89.8 secs Computing kpt #: 186 total cpu time spent up to now is 90.3 secs Computing kpt #: 187 total cpu time spent up to now is 90.5 secs Computing kpt #: 188 total cpu time spent up to now is 90.8 secs Computing kpt #: 189 total cpu time spent up to now is 91.1 secs Computing kpt #: 190 total cpu time spent up 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total cpu time spent up to now is 98.6 secs Computing kpt #: 222 total cpu time spent up to now is 98.8 secs Computing kpt #: 223 total cpu time spent up to now is 99.1 secs Computing kpt #: 224 total cpu time spent up to now is 99.3 secs Computing kpt #: 225 total cpu time spent up to now is 99.5 secs Computing kpt #: 226 total cpu time spent up to now is 99.7 secs Computing kpt #: 227 total cpu time spent up to now is 100.0 secs Computing kpt #: 228 total cpu time spent up to now is 100.5 secs Computing kpt #: 229 total cpu time spent up to now is 100.9 secs Computing kpt #: 230 total cpu time spent up to now is 101.6 secs Computing kpt #: 231 total cpu time spent up to now is 102.0 secs Computing kpt #: 232 total cpu time spent up to now is 102.6 secs Computing kpt #: 233 total cpu time spent up to now is 103.6 secs Computing kpt #: 234 total cpu time spent up to now is 104.1 secs Computing kpt #: 235 total cpu time spent up to now is 104.7 secs Computing kpt #: 236 total cpu time 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to now is 112.6 secs Computing kpt #: 252 total cpu time spent up to now is 112.8 secs Computing kpt #: 253 total cpu time spent up to now is 113.0 secs Computing kpt #: 254 total cpu time spent up to now is 113.2 secs Computing kpt #: 255 total cpu time spent up to now is 113.4 secs Computing kpt #: 256 total cpu time spent up to now is 113.5 secs Computing kpt #: 257 total cpu time spent up to now is 113.7 secs Computing kpt #: 258 total cpu time spent up to now is 113.9 secs Computing kpt #: 259 total cpu time spent up to now is 114.1 secs Computing kpt #: 260 total cpu time spent up to now is 114.6 secs Computing kpt #: 261 total cpu time spent up to now is 114.9 secs Computing kpt #: 262 total cpu time spent up to now is 115.2 secs Computing kpt #: 263 total cpu time spent up to now is 115.6 secs Computing kpt #: 264 total cpu time spent up to now is 115.9 secs Computing kpt #: 265 total cpu time spent up to now is 116.2 secs Computing kpt #: 266 total cpu time spent up to now is 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Computing kpt #: 282 total cpu time spent up to now is 127.9 secs Computing kpt #: 283 total cpu time spent up to now is 128.1 secs Computing kpt #: 284 total cpu time spent up to now is 128.3 secs Computing kpt #: 285 total cpu time spent up to now is 128.4 secs Computing kpt #: 286 total cpu time spent up to now is 128.6 secs Computing kpt #: 287 total cpu time spent up to now is 128.8 secs Computing kpt #: 288 total cpu time spent up to now is 129.0 secs Computing kpt #: 289 total cpu time spent up to now is 129.2 secs Computing kpt #: 290 total cpu time spent up to now is 129.3 secs Computing kpt #: 291 total cpu time spent up to now is 129.5 secs Computing kpt #: 292 total cpu time spent up to now is 129.7 secs Computing kpt #: 293 total cpu time spent up to now is 129.9 secs Computing kpt #: 294 total cpu time spent up to now is 130.1 secs Computing kpt #: 295 total cpu time spent up to now is 130.2 secs Computing kpt #: 296 total cpu time spent up to now is 130.4 secs Computing kpt #: 297 total cpu time spent up to now is 131.4 secs Computing kpt #: 298 total cpu time spent up to now is 132.2 secs Computing kpt #: 299 total cpu time spent up to now is 132.4 secs Computing kpt #: 300 total cpu time spent up to now is 132.6 secs Computing kpt #: 301 total cpu time spent up to now is 132.9 secs Computing kpt #: 302 total cpu time spent up to now is 133.2 secs Computing kpt #: 303 total cpu time spent up to now is 133.5 secs Computing kpt #: 304 total cpu time spent up to now is 135.7 secs Computing kpt #: 305 total cpu time spent up to now is 136.0 secs Computing kpt #: 306 total cpu time spent up to now is 136.5 secs Computing kpt #: 307 total cpu time spent up to now is 137.0 secs Computing kpt #: 308 total cpu time spent up to now is 137.2 secs Computing kpt #: 309 total cpu time spent up to now is 138.0 secs Computing kpt #: 310 total cpu time spent up to now is 138.4 secs Computing kpt #: 311 total cpu time spent up to now is 138.7 secs Computing kpt #: 312 total cpu time spent up to now is 139.2 secs Computing kpt #: 313 total cpu time spent up to now is 139.5 secs Computing kpt #: 314 total cpu time spent up to now is 139.8 secs Computing kpt #: 315 total cpu time spent up to now is 140.1 secs Computing kpt #: 316 total cpu time spent up to now is 141.2 secs Computing kpt #: 317 total cpu time spent up to now is 142.3 secs Computing kpt #: 318 total cpu time spent up to now is 143.1 secs Computing kpt #: 319 total cpu time spent up to now is 143.4 secs Computing kpt #: 320 total cpu time spent up to now is 143.6 secs Computing kpt #: 321 total cpu time spent up to now is 143.8 secs Computing kpt #: 322 total cpu time spent up to now is 144.0 secs Computing kpt #: 323 total cpu time spent up to now is 144.2 secs Computing kpt #: 324 total cpu time spent up to now is 144.4 secs Computing kpt #: 325 total cpu time spent up to now is 144.6 secs Computing kpt #: 326 total cpu time spent up to now is 144.7 secs Computing kpt #: 327 total cpu 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secs Computing kpt #: 373 total cpu time spent up to now is 161.1 secs Computing kpt #: 374 total cpu time spent up to now is 161.3 secs Computing kpt #: 375 total cpu time spent up to now is 161.5 secs Computing kpt #: 376 total cpu time spent up to now is 161.7 secs Computing kpt #: 377 total cpu time spent up to now is 161.9 secs Computing kpt #: 378 total cpu time spent up to now is 162.0 secs Computing kpt #: 379 total cpu time spent up to now is 162.2 secs Computing kpt #: 380 total cpu time spent up to now is 162.4 secs Computing kpt #: 381 total cpu time spent up to now is 162.6 secs Computing kpt #: 382 total cpu time spent up to now is 162.8 secs Computing kpt #: 383 total cpu time spent up to now is 162.9 secs Computing kpt #: 384 total cpu time spent up to now is 163.1 secs Computing kpt #: 385 total cpu time spent up to now is 163.3 secs Computing kpt #: 386 total cpu time spent up to now is 163.7 secs Computing kpt #: 387 total cpu time spent up to now is 163.9 secs Computing kpt #: 388 total cpu time spent up to now is 164.1 secs Computing kpt #: 389 total cpu time spent up to now is 164.4 secs Computing kpt #: 390 total cpu time spent up to now is 164.6 secs Computing kpt #: 391 total cpu time spent up to now is 165.3 secs Computing kpt #: 392 total cpu time spent up to now is 165.5 secs Computing kpt #: 393 total cpu time spent up to now is 166.1 secs Computing kpt #: 394 total cpu time spent up to now is 167.0 secs Computing kpt #: 395 total cpu time spent up to now is 167.5 secs Computing kpt #: 396 total cpu time spent up to now is 168.4 secs Computing kpt #: 397 total cpu time spent up to now is 168.9 secs Computing kpt #: 398 total cpu time spent up to now is 169.1 secs Computing kpt #: 399 total cpu time spent up to now is 169.5 secs Computing kpt #: 400 total cpu time spent up to now is 169.7 secs Computing kpt #: 401 total cpu time spent up to now is 170.6 secs Computing kpt #: 402 total cpu time spent up to now is 170.9 secs Computing kpt #: 403 total cpu time spent up to now is 171.3 secs Computing kpt #: 404 total cpu time spent up to now is 171.5 secs Computing kpt #: 405 total cpu time spent up to now is 171.8 secs Computing kpt #: 406 total cpu time spent up to now is 172.1 secs Computing kpt #: 407 total cpu time spent up to now is 172.4 secs Computing kpt #: 408 total cpu time spent up to now is 172.9 secs Computing kpt #: 409 total cpu time spent up to now is 173.5 secs Computing kpt #: 410 total cpu time spent up to now is 173.7 secs Computing kpt #: 411 total cpu time spent up to now is 174.1 secs Computing kpt #: 412 total cpu time spent up to now is 174.5 secs Computing kpt #: 413 total cpu time spent up to now is 175.5 secs Computing kpt #: 414 total cpu time spent up to now is 176.0 secs Computing kpt #: 415 total cpu time spent up to now is 176.2 secs Computing kpt #: 416 total cpu time spent up to now is 176.9 secs Computing kpt #: 417 total cpu time spent up to now is 177.3 secs Computing kpt #: 418 total cpu time spent up to now is 178.2 secs Computing kpt #: 419 total cpu time spent up to now is 178.7 secs Computing kpt #: 420 total cpu time spent up to now is 179.6 secs Computing kpt #: 421 total cpu time spent up to now is 180.0 secs Computing kpt #: 422 total cpu time spent up to now is 180.3 secs Computing kpt #: 423 total cpu time spent up to now is 180.5 secs Computing kpt #: 424 total cpu time spent up to now is 181.6 secs Computing kpt #: 425 total cpu time spent up to now is 182.2 secs Computing kpt #: 426 total cpu time spent up to now is 182.8 secs Computing kpt #: 427 total cpu time spent up to now is 183.5 secs Computing kpt #: 428 total cpu time spent up to now is 184.6 secs Computing kpt #: 429 total cpu time spent up to now is 184.8 secs Computing kpt #: 430 total cpu time spent up to now is 185.0 secs Computing kpt #: 431 total cpu time spent up to now is 185.2 secs Computing kpt #: 432 total cpu time spent up to now is 185.4 secs Computing kpt #: 433 total cpu time spent up to now is 185.6 secs Computing kpt #: 434 total cpu time spent up to now is 185.8 secs Computing kpt #: 435 total cpu time spent up to now is 186.0 secs Computing kpt #: 436 total cpu time spent up to now is 186.2 secs Computing kpt #: 437 total cpu time spent up to now is 186.3 secs Computing kpt #: 438 total cpu time spent up to now is 186.5 secs Computing kpt #: 439 total cpu time spent up to now is 186.7 secs Computing kpt #: 440 total cpu time spent up to now is 186.9 secs Computing kpt #: 441 total cpu time spent up to now is 187.1 secs Computing kpt #: 442 total cpu time spent up to now is 187.3 secs Computing kpt #: 443 total cpu time spent up to now is 187.5 secs Computing kpt #: 444 total cpu time spent up to now is 187.7 secs Computing kpt #: 445 total cpu time spent up to now is 187.9 secs Computing kpt #: 446 total cpu time spent up to now is 188.1 secs Computing kpt #: 447 total cpu time spent up to now is 188.3 secs Computing kpt #: 448 total cpu time spent up to now is 188.5 secs Computing kpt #: 449 total cpu time spent up to now is 188.7 secs Computing kpt #: 450 total cpu time spent up to now is 188.9 secs Computing kpt #: 451 total cpu time spent up to now is 189.1 secs Computing kpt #: 452 total cpu time spent up to now is 189.3 secs Computing kpt #: 453 total cpu time spent up to now is 189.5 secs Computing kpt #: 454 total cpu time spent up to now is 189.7 secs Computing kpt #: 455 total cpu time spent up to now is 189.9 secs Computing kpt #: 456 total cpu time spent up to now is 190.1 secs Computing kpt #: 457 total cpu time spent up to now is 190.2 secs Computing kpt #: 458 total cpu time spent up to now is 190.4 secs Computing kpt #: 459 total cpu time spent up to now is 190.6 secs Computing kpt #: 460 total cpu time spent up to now is 190.8 secs Computing kpt #: 461 total cpu time spent up to now is 191.0 secs Computing kpt #: 462 total cpu time spent up to now is 191.2 secs Computing kpt #: 463 total cpu time spent up to now is 191.5 secs Computing kpt #: 464 total cpu time spent up to now is 191.9 secs Computing kpt #: 465 total cpu time spent up to now is 192.1 secs Computing kpt #: 466 total cpu time spent up to now is 192.7 secs ethr = 5.56E-11, avg # of iterations = 11.5 total cpu time spent up to now is 192.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0625 -6.0625 -3.5519 -3.5519 -3.5519 -3.5519 -3.2017 -3.2017 -2.9367 -2.9367 -2.9367 -2.9367 10.1145 10.1145 10.1254 10.1254 10.1254 10.1254 12.0297 12.0297 20.3930 20.3930 20.7244 20.7244 20.7244 20.7244 k = 0.0070-0.0041 0.0057 ( 725 PWs) bands (ev): -6.0617 -6.0617 -3.5524 -3.5524 -3.5511 -3.5511 -3.2015 -3.2015 -2.9374 -2.9374 -2.9360 -2.9360 10.1094 10.1094 10.1202 10.1202 10.1237 10.1237 12.0385 12.0385 20.3926 20.3926 20.7215 20.7215 20.7261 20.7261 k = 0.0141-0.0081 0.0115 ( 725 PWs) bands (ev): -6.0593 -6.0593 -3.5526 -3.5526 -3.5502 -3.5502 -3.2011 -3.2011 -2.9381 -2.9381 -2.9352 -2.9352 10.0869 10.0869 10.1122 10.1122 10.1187 10.1187 12.0645 12.0645 20.3911 20.3911 20.7134 20.7134 20.7312 20.7312 k = 0.0211-0.0122 0.0172 ( 729 PWs) bands (ev): -6.0553 -6.0553 -3.5527 -3.5527 -3.5489 -3.5489 -3.2004 -3.2004 -2.9388 -2.9388 -2.9345 -2.9345 10.0467 10.0467 10.1028 10.1028 10.1101 10.1101 12.1064 12.1064 20.3873 20.3873 20.7012 20.7012 20.7396 20.7396 k = 0.0282-0.0163 0.0230 ( 729 PWs) bands (ev): -6.0498 -6.0498 -3.5525 -3.5525 -3.5474 -3.5474 -3.1995 -3.1995 -2.9395 -2.9395 -2.9337 -2.9337 9.9928 9.9928 10.0904 10.0904 10.0983 10.0983 12.1622 12.1622 20.3793 20.3793 20.6874 20.6874 20.7515 20.7515 k = 0.0352-0.0203 0.0287 ( 729 PWs) bands (ev): -6.0427 -6.0427 -3.5520 -3.5520 -3.5456 -3.5456 -3.1982 -3.1982 -2.9403 -2.9403 -2.9328 -2.9328 9.9272 9.9272 10.0746 10.0746 10.0832 10.0832 12.2300 12.2300 20.3641 20.3641 20.6750 20.6750 20.7666 20.7666 k = 0.0423-0.0244 0.0345 ( 733 PWs) bands (ev): -6.0340 -6.0340 -3.5514 -3.5514 -3.5436 -3.5436 -3.1967 -3.1967 -2.9411 -2.9411 -2.9319 -2.9319 9.8521 9.8521 10.0555 10.0555 10.0647 10.0647 12.3076 12.3076 20.3389 20.3389 20.6676 20.6676 20.7851 20.7851 k = 0.0493-0.0285 0.0402 ( 733 PWs) bands (ev): -6.0238 -6.0238 -3.5505 -3.5505 -3.5413 -3.5413 -3.1949 -3.1949 -2.9419 -2.9419 -2.9308 -2.9308 9.7692 9.7692 10.0333 10.0333 10.0431 10.0431 12.3933 12.3933 20.3016 20.3016 20.6677 20.6677 20.8067 20.8067 k = 0.0563-0.0325 0.0460 ( 733 PWs) bands (ev): -6.0121 -6.0121 -3.5494 -3.5494 -3.5386 -3.5386 -3.1927 -3.1927 -2.9427 -2.9427 -2.9297 -2.9297 9.6801 9.6801 10.0079 10.0079 10.0184 10.0184 12.4854 12.4854 20.2519 20.2519 20.6760 20.6760 20.8316 20.8316 k = 0.0634-0.0366 0.0517 ( 733 PWs) bands (ev): -5.9989 -5.9989 -3.5482 -3.5482 -3.5356 -3.5356 -3.1903 -3.1903 -2.9436 -2.9436 -2.9284 -2.9284 9.5860 9.5860 9.9794 9.9794 9.9907 9.9907 12.5827 12.5827 20.1909 20.1909 20.6920 20.6920 20.8595 20.8595 k = 0.0704-0.0407 0.0575 ( 733 PWs) bands (ev): -5.9843 -5.9843 -3.5467 -3.5467 -3.5323 -3.5323 -3.1876 -3.1876 -2.9445 -2.9445 -2.9270 -2.9270 9.4879 9.4879 9.9479 9.9479 9.9601 9.9601 12.6839 12.6839 20.1204 20.1204 20.7146 20.7146 20.8905 20.8905 k = 0.0775-0.0447 0.0632 ( 733 PWs) bands (ev): -5.9683 -5.9683 -3.5450 -3.5450 -3.5287 -3.5287 -3.1846 -3.1846 -2.9454 -2.9454 -2.9255 -2.9255 9.3867 9.3867 9.9136 9.9136 9.9267 9.9267 12.7881 12.7881 20.0419 20.0419 20.7428 20.7428 20.9244 20.9244 k = 0.0845-0.0488 0.0690 ( 733 PWs) bands (ev): -5.9509 -5.9509 -3.5431 -3.5431 -3.5247 -3.5247 -3.1813 -3.1813 -2.9464 -2.9464 -2.9239 -2.9239 9.2831 9.2831 9.8766 9.8766 9.8906 9.8906 12.8946 12.8946 19.9568 19.9568 20.7758 20.7758 20.9612 20.9612 k = 0.0915-0.0529 0.0747 ( 733 PWs) bands (ev): -5.9321 -5.9321 -3.5411 -3.5411 -3.5203 -3.5203 -3.1777 -3.1777 -2.9474 -2.9474 -2.9221 -2.9221 9.1774 9.1774 9.8370 9.8370 9.8519 9.8519 13.0028 13.0028 19.8661 19.8661 20.8129 20.8129 21.0008 21.0008 k = 0.0986-0.0569 0.0805 ( 733 PWs) bands (ev): -5.9121 -5.9121 -3.5388 -3.5388 -3.5155 -3.5155 -3.1738 -3.1738 -2.9484 -2.9484 -2.9202 -2.9202 9.0702 9.0702 9.7949 9.7949 9.8108 9.8108 13.1119 13.1119 19.7708 19.7708 20.8537 20.8537 21.0431 21.0431 k = 0.1056-0.0610 0.0862 ( 737 PWs) bands (ev): -5.8909 -5.8909 -3.5365 -3.5365 -3.5103 -3.5103 -3.1695 -3.1695 -2.9496 -2.9496 -2.9181 -2.9181 8.9617 8.9617 9.7504 9.7504 9.7673 9.7673 13.2214 13.2214 19.6718 19.6718 20.8980 20.8980 21.0880 21.0880 k = 0.1127-0.0651 0.0920 ( 737 PWs) bands (ev): -5.8685 -5.8685 -3.5339 -3.5339 -3.5047 -3.5047 -3.1650 -3.1650 -2.9506 -2.9506 -2.9158 -2.9158 8.8523 8.8523 9.7038 9.7038 9.7217 9.7217 13.3311 13.3311 19.5696 19.5696 20.9453 20.9453 21.1354 21.1354 k = 0.1197-0.0691 0.0977 ( 737 PWs) bands (ev): -5.8450 -5.8450 -3.5313 -3.5313 -3.4986 -3.4986 -3.1601 -3.1601 -2.9516 -2.9516 -2.9133 -2.9133 8.7422 8.7422 9.6551 9.6551 9.6740 9.6740 13.4403 13.4403 19.4650 19.4650 20.9955 20.9955 21.1853 21.1853 k = 0.1268-0.0732 0.1035 ( 737 PWs) bands (ev): -5.8204 -5.8204 -3.5285 -3.5285 -3.4921 -3.4921 -3.1549 -3.1549 -2.9525 -2.9525 -2.9107 -2.9107 8.6315 8.6315 9.6045 9.6045 9.6245 9.6245 13.5486 13.5486 19.3585 19.3585 21.0483 21.0483 21.2374 21.2374 k = 0.1338-0.0773 0.1092 ( 745 PWs) bands (ev): -5.7949 -5.7949 -3.5256 -3.5256 -3.4852 -3.4852 -3.1495 -3.1495 -2.9534 -2.9534 -2.9078 -2.9078 8.5203 8.5203 9.5522 9.5522 9.5732 9.5732 13.6556 13.6556 19.2507 19.2507 21.1037 21.1037 21.2918 21.2918 k = 0.1408-0.0813 0.1150 ( 737 PWs) bands (ev): -5.7684 -5.7684 -3.5224 -3.5224 -3.4775 -3.4775 -3.1435 -3.1435 -2.9541 -2.9541 -2.9045 -2.9045 8.4090 8.4090 9.4984 9.4984 9.5204 9.5204 13.7611 13.7611 19.1420 19.1420 21.1615 21.1615 21.3483 21.3483 k = 0.1479-0.0854 0.1207 ( 745 PWs) bands (ev): -5.7412 -5.7412 -3.5194 -3.5194 -3.4696 -3.4696 -3.1374 -3.1374 -2.9549 -2.9549 -2.9011 -2.9011 8.2973 8.2973 9.4429 9.4429 9.4659 9.4659 13.8643 13.8643 19.0329 19.0329 21.2214 21.2214 21.4068 21.4068 k = 0.1549-0.0894 0.1265 ( 737 PWs) bands (ev): -5.7132 -5.7132 -3.5161 -3.5161 -3.4609 -3.4609 -3.1308 -3.1308 -2.9553 -2.9553 -2.8973 -2.8973 8.1856 8.1856 9.3863 9.3863 9.4104 9.4104 13.9651 13.9651 18.9240 18.9240 21.2835 21.2835 21.4674 21.4674 k = 0.1620-0.0935 0.1322 ( 737 PWs) bands (ev): -5.6846 -5.6846 -3.5127 -3.5127 -3.4518 -3.4518 -3.1241 -3.1241 -2.9556 -2.9556 -2.8931 -2.8931 8.0738 8.0738 9.3285 9.3285 9.3535 9.3535 14.0628 14.0628 18.8156 18.8156 21.3475 21.3475 21.5297 21.5297 k = 0.1690-0.0976 0.1380 ( 737 PWs) bands (ev): -5.6554 -5.6554 -3.5094 -3.5094 -3.4422 -3.4422 -3.1171 -3.1171 -2.9557 -2.9557 -2.8885 -2.8885 7.9619 7.9619 9.2696 9.2696 9.2956 9.2956 14.1569 14.1569 18.7082 18.7082 21.4133 21.4133 21.5938 21.5938 k = 0.1761-0.1016 0.1437 ( 737 PWs) bands (ev): -5.6258 -5.6258 -3.5060 -3.5060 -3.4320 -3.4320 -3.1099 -3.1099 -2.9556 -2.9556 -2.8833 -2.8833 7.8501 7.8501 9.2098 9.2098 9.2368 9.2368 14.2470 14.2470 18.6022 18.6022 21.4809 21.4809 21.6595 21.6595 k = 0.1831-0.1057 0.1495 ( 737 PWs) bands (ev): -5.5958 -5.5958 -3.5025 -3.5025 -3.4214 -3.4214 -3.1025 -3.1025 -2.9551 -2.9551 -2.8776 -2.8776 7.7383 7.7383 9.1493 9.1493 9.1772 9.1772 14.3326 14.3326 18.4982 18.4982 21.5500 21.5500 21.7267 21.7267 k = 0.1901-0.1098 0.1552 ( 745 PWs) bands (ev): -5.5656 -5.5656 -3.4992 -3.4992 -3.4103 -3.4103 -3.0951 -3.0951 -2.9543 -2.9543 -2.8712 -2.8712 7.6266 7.6266 9.0882 9.0882 9.1170 9.1170 14.4131 14.4131 18.3966 18.3966 21.6207 21.6207 21.7954 21.7954 k = 0.1972-0.1138 0.1610 ( 745 PWs) bands (ev): -5.5352 -5.5352 -3.4957 -3.4957 -3.3987 -3.3987 -3.0876 -3.0876 -2.9530 -2.9530 -2.8638 -2.8638 7.5150 7.5150 9.0266 9.0266 9.0563 9.0563 14.4879 14.4879 18.2979 18.2979 21.6927 21.6927 21.8655 21.8655 k = 0.2042-0.1179 0.1667 ( 745 PWs) bands (ev): -5.5048 -5.5048 -3.4923 -3.4923 -3.3867 -3.3867 -3.0802 -3.0802 -2.9513 -2.9513 -2.8554 -2.8554 7.4035 7.4035 8.9647 8.9647 8.9953 8.9953 14.5564 14.5564 18.2026 18.2026 21.7661 21.7661 21.9368 21.9368 k = 0.2113-0.1220 0.1725 ( 745 PWs) bands (ev): -5.4745 -5.4745 -3.4889 -3.4889 -3.3744 -3.3744 -3.0731 -3.0731 -2.9490 -2.9490 -2.8458 -2.8458 7.2921 7.2921 8.9026 8.9026 8.9340 8.9340 14.6180 14.6180 18.1112 18.1112 21.8406 21.8406 22.0093 22.0093 k = 0.2183-0.1260 0.1782 ( 733 PWs) bands (ev): -5.4443 -5.4443 -3.4853 -3.4853 -3.3616 -3.3616 -3.0661 -3.0661 -2.9461 -2.9461 -2.8346 -2.8346 7.1810 7.1810 8.8405 8.8405 8.8728 8.8728 14.6723 14.6723 18.0242 18.0242 21.9163 21.9163 22.0831 22.0831 k = 0.2254-0.1301 0.1840 ( 733 PWs) bands (ev): -5.4145 -5.4145 -3.4820 -3.4820 -3.3487 -3.3487 -3.0597 -3.0597 -2.9428 -2.9428 -2.8217 -2.8217 7.0700 7.0700 8.7783 8.7783 8.8115 8.8115 14.7185 14.7185 17.9420 17.9420 21.9928 21.9928 22.1574 22.1574 k = 0.2324-0.1342 0.1897 ( 729 PWs) bands (ev): -5.3850 -5.3850 -3.4787 -3.4787 -3.3357 -3.3357 -3.0539 -3.0539 -2.9389 -2.9389 -2.8068 -2.8068 6.9593 6.9593 8.7163 8.7163 8.7502 8.7502 14.7561 14.7561 17.8649 17.8649 22.0689 22.0689 22.1005 22.1005 k = 0.2394-0.1382 0.1955 ( 729 PWs) bands (ev): -5.3560 -5.3560 -3.4756 -3.4756 -3.3227 -3.3227 -3.0487 -3.0487 -2.9347 -2.9347 -2.7897 -2.7897 6.8487 6.8487 8.6546 8.6546 8.6892 8.6892 14.7849 14.7849 17.7933 17.7933 21.9889 21.9889 22.1491 22.1491 k = 0.2465-0.1423 0.2012 ( 729 PWs) bands (ev): -5.3275 -5.3275 -3.4725 -3.4725 -3.3097 -3.3097 -3.0441 -3.0441 -2.9302 -2.9302 -2.7701 -2.7701 6.7383 6.7383 8.5932 8.5932 8.6285 8.6285 14.8044 14.8044 17.7274 17.7274 21.8888 21.8888 22.2278 22.2278 k = 0.2535-0.1464 0.2070 ( 729 PWs) bands (ev): -5.2998 -5.2998 -3.4696 -3.4696 -3.2968 -3.2968 -3.0400 -3.0400 -2.9255 -2.9255 -2.7478 -2.7478 6.6283 6.6283 8.5323 8.5323 8.5683 8.5683 14.8146 14.8146 17.6672 17.6672 21.7983 21.7983 22.3072 22.3072 k = 0.2606-0.1504 0.2127 ( 729 PWs) bands (ev): -5.2728 -5.2728 -3.4668 -3.4668 -3.2841 -3.2841 -3.0365 -3.0365 -2.9207 -2.9207 -2.7228 -2.7228 6.5185 6.5185 8.4720 8.4720 8.5087 8.5087 14.8155 14.8155 17.6126 17.6126 21.7174 21.7174 22.3871 22.3871 k = 0.2676-0.1545 0.2185 ( 729 PWs) bands (ev): -5.2466 -5.2466 -3.4641 -3.4641 -3.2717 -3.2717 -3.0334 -3.0334 -2.9158 -2.9158 -2.6950 -2.6950 6.4091 6.4091 8.4124 8.4124 8.4497 8.4497 14.8074 14.8074 17.5635 17.5635 21.6463 21.6463 22.4673 22.4673 k = 0.2746-0.1586 0.2242 ( 729 PWs) bands (ev): -5.2213 -5.2213 -3.4616 -3.4616 -3.2596 -3.2596 -3.0307 -3.0307 -2.9110 -2.9110 -2.6643 -2.6643 6.3000 6.3000 8.3535 8.3535 8.3914 8.3914 14.7907 14.7907 17.5194 17.5194 21.5848 21.5848 22.5477 22.5477 k = 0.2817-0.1626 0.2300 ( 729 PWs) bands (ev): -5.1969 -5.1969 -3.4592 -3.4592 -3.2478 -3.2478 -3.0283 -3.0283 -2.9063 -2.9063 -2.6308 -2.6308 6.1914 6.1914 8.2955 8.2955 8.3340 8.3340 14.7658 14.7658 17.4799 17.4799 21.5328 21.5328 22.6282 22.6282 k = 0.2887-0.1667 0.2357 ( 729 PWs) bands (ev): -5.1735 -5.1735 -3.4569 -3.4569 -3.2365 -3.2365 -3.0260 -3.0260 -2.9016 -2.9016 -2.5946 -2.5946 6.0833 6.0833 8.2385 8.2385 8.2775 8.2775 14.7336 14.7336 17.4445 17.4445 21.4901 21.4901 22.7087 22.7087 k = 0.2958-0.1708 0.2415 ( 725 PWs) bands (ev): -5.1511 -5.1511 -3.4548 -3.4548 -3.2255 -3.2255 -3.0239 -3.0239 -2.8970 -2.8970 -2.5556 -2.5556 5.9757 5.9757 8.1826 8.1826 8.2221 8.2221 14.6948 14.6948 17.4124 17.4124 21.4566 21.4566 22.7892 22.7892 k = 0.3028-0.1748 0.2472 ( 725 PWs) bands (ev): -5.1297 -5.1297 -3.4529 -3.4529 -3.2150 -3.2150 -3.0220 -3.0220 -2.8925 -2.8925 -2.5142 -2.5142 5.8688 5.8688 8.1278 8.1278 8.1678 8.1678 14.6503 14.6503 17.3832 17.3832 21.4317 21.4317 22.8692 22.8692 k = 0.3099-0.1789 0.2530 ( 725 PWs) bands (ev): -5.1095 -5.1095 -3.4511 -3.4511 -3.2050 -3.2050 -3.0201 -3.0201 -2.8881 -2.8881 -2.4704 -2.4704 5.7626 5.7626 8.0742 8.0742 8.1146 8.1146 14.6010 14.6010 17.3562 17.3562 21.4151 21.4151 22.9488 22.9488 k = 0.3169-0.1830 0.2587 ( 733 PWs) bands (ev): -5.0903 -5.0903 -3.4496 -3.4496 -3.1955 -3.1955 -3.0184 -3.0184 -2.8840 -2.8840 -2.4245 -2.4245 5.6571 5.6571 8.0217 8.0217 8.0625 8.0625 14.5477 14.5477 17.3308 17.3308 21.4063 21.4063 23.0275 23.0275 k = 0.3239-0.1870 0.2645 ( 733 PWs) bands (ev): -5.0721 -5.0721 -3.4482 -3.4482 -3.1864 -3.1864 -3.0166 -3.0166 -2.8798 -2.8798 -2.3765 -2.3765 5.5527 5.5527 7.9707 7.9707 8.0120 8.0120 14.4913 14.4913 17.3068 17.3068 21.4050 21.4050 23.1058 23.1058 k = 0.3310-0.1911 0.2702 ( 733 PWs) bands (ev): -5.0550 -5.0550 -3.4469 -3.4469 -3.1777 -3.1777 -3.0148 -3.0148 -2.8757 -2.8757 -2.3266 -2.3266 5.4492 5.4492 7.9211 7.9211 7.9628 7.9628 14.4326 14.4326 17.2838 17.2838 21.4104 21.4104 23.1831 23.1831 k = 0.3380-0.1952 0.2760 ( 749 PWs) bands (ev): -5.0391 -5.0391 -3.4460 -3.4460 -3.1695 -3.1695 -3.0132 -3.0132 -2.8718 -2.8718 -2.2753 -2.2753 5.3469 5.3469 7.8730 7.8730 7.9150 7.9150 14.3722 14.3722 17.2611 17.2611 21.4215 21.4215 23.2593 23.2593 k = 0.3451-0.1992 0.2817 ( 745 PWs) bands (ev): -5.0241 -5.0241 -3.4450 -3.4450 -3.1617 -3.1617 -3.0113 -3.0113 -2.8680 -2.8680 -2.2224 -2.2224 5.2461 5.2461 7.8265 7.8265 7.8688 7.8688 14.3111 14.3111 17.2395 17.2395 21.4386 21.4386 23.3344 23.3344 k = 0.3521-0.2033 0.2875 ( 745 PWs) bands (ev): -5.0100 -5.0100 -3.4441 -3.4441 -3.1543 -3.1543 -3.0094 -3.0094 -2.8642 -2.8642 -2.1685 -2.1685 5.1467 5.1467 7.7816 7.7816 7.8243 7.8243 14.2496 14.2496 17.2179 17.2179 21.4606 21.4606 23.4081 23.4081 k = 0.3592-0.2074 0.2932 ( 745 PWs) bands (ev): -4.9970 -4.9970 -3.4434 -3.4434 -3.1473 -3.1473 -3.0076 -3.0076 -2.8605 -2.8605 -2.1136 -2.1136 5.0490 5.0490 7.7385 7.7385 7.7814 7.7814 14.1884 14.1884 17.1966 17.1966 21.4868 21.4868 23.4802 23.4802 k = 0.3662-0.2114 0.2990 ( 741 PWs) bands (ev): -4.9847 -4.9847 -3.4428 -3.4428 -3.1407 -3.1407 -3.0057 -3.0057 -2.8570 -2.8570 -2.0582 -2.0582 4.9532 4.9532 7.6971 7.6971 7.7403 7.7403 14.1281 14.1281 17.1756 17.1756 21.5167 21.5167 23.5506 23.5506 k = 0.3732-0.2155 0.3047 ( 741 PWs) bands (ev): -4.9734 -4.9734 -3.4424 -3.4424 -3.1345 -3.1345 -3.0038 -3.0038 -2.8535 -2.8535 -2.0024 -2.0024 4.8596 4.8596 7.6575 7.6575 7.7009 7.7009 14.0688 14.0688 17.1550 17.1550 21.5494 21.5494 23.6190 23.6190 k = 0.3803-0.2196 0.3105 ( 741 PWs) bands (ev): -4.9630 -4.9630 -3.4420 -3.4420 -3.1287 -3.1287 -3.0020 -3.0020 -2.8502 -2.8502 -1.9467 -1.9467 4.7683 4.7683 7.6197 7.6197 7.6634 7.6634 14.0112 14.0112 17.1347 17.1347 21.5843 21.5843 23.6852 23.6852 k = 0.3873-0.2236 0.3162 ( 749 PWs) bands (ev): -4.9536 -4.9536 -3.4418 -3.4418 -3.1234 -3.1234 -3.0002 -3.0002 -2.8471 -2.8471 -1.8913 -1.8913 4.6797 4.6797 7.5838 7.5838 7.6277 7.6277 13.9554 13.9554 17.1149 17.1149 21.6207 21.6207 23.7491 23.7491 k = 0.3944-0.2277 0.3220 ( 749 PWs) bands (ev): -4.9448 -4.9448 -3.4416 -3.4416 -3.1183 -3.1183 -2.9984 -2.9984 -2.8440 -2.8440 -1.8366 -1.8366 4.5940 4.5940 7.5499 7.5499 7.5939 7.5939 13.9018 13.9018 17.0957 17.0957 21.6583 21.6583 23.8105 23.8105 k = 0.4014-0.2318 0.3277 ( 749 PWs) bands (ev): -4.9368 -4.9368 -3.4415 -3.4415 -3.1136 -3.1136 -2.9966 -2.9966 -2.8411 -2.8411 -1.7828 -1.7828 4.5114 4.5114 7.5179 7.5179 7.5622 7.5622 13.8508 13.8508 17.0772 17.0772 21.6963 21.6963 23.8691 23.8691 k = 0.4085-0.2358 0.3335 ( 749 PWs) bands (ev): -4.9295 -4.9295 -3.4415 -3.4415 -3.1093 -3.1093 -2.9949 -2.9949 -2.8383 -2.8383 -1.7304 -1.7304 4.4324 4.4324 7.4880 7.4880 7.5324 7.5324 13.8024 13.8024 17.0594 17.0594 21.7342 21.7342 23.9248 23.9248 k = 0.4155-0.2399 0.3392 ( 749 PWs) bands (ev): -4.9229 -4.9229 -3.4415 -3.4415 -3.1053 -3.1053 -2.9932 -2.9932 -2.8357 -2.8357 -1.6798 -1.6798 4.3573 4.3573 7.4601 7.4601 7.5047 7.5047 13.7570 13.7570 17.0425 17.0425 21.7715 21.7715 23.9774 23.9774 k = 0.4225-0.2440 0.3450 ( 745 PWs) bands (ev): -4.9169 -4.9169 -3.4415 -3.4415 -3.1016 -3.1016 -2.9916 -2.9916 -2.8333 -2.8333 -1.6312 -1.6312 4.2864 4.2864 7.4344 7.4344 7.4791 7.4791 13.7147 13.7147 17.0268 17.0268 21.8079 21.8079 24.0267 24.0267 k = 0.4296-0.2480 0.3507 ( 745 PWs) bands (ev): -4.9116 -4.9116 -3.4416 -3.4416 -3.0983 -3.0983 -2.9901 -2.9901 -2.8310 -2.8310 -1.5851 -1.5851 4.2200 4.2200 7.4108 7.4108 7.4556 7.4556 13.6756 13.6756 17.0120 17.0120 21.8425 21.8425 24.0723 24.0723 k = 0.4366-0.2521 0.3565 ( 745 PWs) bands (ev): -4.9068 -4.9068 -3.4417 -3.4417 -3.0953 -3.0953 -2.9887 -2.9887 -2.8290 -2.8290 -1.5420 -1.5420 4.1585 4.1585 7.3893 7.3893 7.4342 7.4342 13.6398 13.6398 16.9983 16.9983 21.8752 21.8752 24.1143 24.1143 k = 0.4437-0.2561 0.3622 ( 741 PWs) bands (ev): -4.9026 -4.9026 -3.4417 -3.4417 -3.0926 -3.0926 -2.9873 -2.9873 -2.8271 -2.8271 -1.5021 -1.5021 4.1023 4.1023 7.3700 7.3700 7.4150 7.4150 13.6076 13.6076 16.9860 16.9860 21.9055 21.9055 24.1524 24.1524 k = 0.4507-0.2602 0.3680 ( 741 PWs) bands (ev): -4.8990 -4.8990 -3.4419 -3.4419 -3.0903 -3.0903 -2.9862 -2.9862 -2.8254 -2.8254 -1.4658 -1.4658 4.0516 4.0516 7.3530 7.3530 7.3981 7.3981 13.5789 13.5789 16.9749 16.9749 21.9330 21.9330 24.1864 24.1864 k = 0.4577-0.2643 0.3737 ( 740 PWs) bands (ev): -4.8959 -4.8959 -3.4420 -3.4420 -3.0882 -3.0882 -2.9851 -2.9851 -2.8239 -2.8239 -1.4335 -1.4335 4.0069 4.0069 7.3382 7.3382 7.3833 7.3833 13.5539 13.5539 16.9651 16.9651 21.9577 21.9577 24.2162 24.2162 k = 0.4648-0.2683 0.3795 ( 740 PWs) bands (ev): -4.8933 -4.8933 -3.4421 -3.4421 -3.0865 -3.0865 -2.9842 -2.9842 -2.8227 -2.8227 -1.4056 -1.4056 3.9685 3.9685 7.3256 7.3256 7.3708 7.3708 13.5327 13.5327 16.9567 16.9567 21.9789 21.9789 24.2417 24.2417 k = 0.4718-0.2724 0.3852 ( 740 PWs) bands (ev): -4.8912 -4.8912 -3.4422 -3.4422 -3.0851 -3.0851 -2.9835 -2.9835 -2.8216 -2.8216 -1.3823 -1.3823 3.9366 3.9366 7.3153 7.3153 7.3605 7.3605 13.5152 13.5152 16.9498 16.9498 21.9966 21.9966 24.2627 24.2627 k = 0.4789-0.2765 0.3910 ( 740 PWs) bands (ev): -4.8896 -4.8896 -3.4423 -3.4423 -3.0841 -3.0841 -2.9829 -2.9829 -2.8208 -2.8208 -1.3639 -1.3639 3.9116 3.9116 7.3072 7.3072 7.3525 7.3525 13.5016 13.5016 16.9444 16.9444 22.0105 22.0105 24.2791 24.2791 k = 0.4859-0.2805 0.3967 ( 740 PWs) bands (ev): -4.8885 -4.8885 -3.4423 -3.4423 -3.0833 -3.0833 -2.9825 -2.9825 -2.8203 -2.8203 -1.3505 -1.3505 3.8935 3.8935 7.3015 7.3015 7.3468 7.3468 13.4918 13.4918 16.9406 16.9406 22.0206 22.0206 24.2909 24.2909 k = 0.4930-0.2846 0.4025 ( 740 PWs) bands (ev): -4.8878 -4.8878 -3.4424 -3.4424 -3.0828 -3.0828 -2.9823 -2.9823 -2.8199 -2.8199 -1.3425 -1.3425 3.8826 3.8826 7.2980 7.2980 7.3433 7.3433 13.4860 13.4860 16.9382 16.9382 22.0267 22.0267 24.2980 24.2980 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -4.8875 -4.8875 -3.4424 -3.4424 -3.0827 -3.0827 -2.9822 -2.9822 -2.8198 -2.8198 -1.3398 -1.3398 3.8790 3.8790 7.2969 7.2969 7.3422 7.3422 13.4840 13.4840 16.9374 16.9374 22.0287 22.0287 24.3004 24.3004 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -4.8875 -4.8875 -3.4424 -3.4424 -3.0827 -3.0827 -2.9822 -2.9822 -2.8198 -2.8198 -1.3398 -1.3398 3.8790 3.8790 7.2969 7.2969 7.3422 7.3422 13.4840 13.4840 16.9374 16.9374 22.0287 22.0287 24.3004 24.3004 k = 0.5000-0.2807 0.4139 ( 740 PWs) bands (ev): -4.8891 -4.8860 -3.4440 -3.4406 -3.0893 -3.0766 -2.9840 -2.9803 -2.8220 -2.8179 -1.3417 -1.3367 3.8795 3.8797 7.2930 7.2966 7.3400 7.3404 13.4875 13.4896 16.9405 16.9406 22.0276 22.0282 24.2943 24.3010 k = 0.5000-0.2726 0.4196 ( 740 PWs) bands (ev): -4.8907 -4.8844 -3.4454 -3.4387 -3.0964 -3.0709 -2.9857 -2.9782 -2.8245 -2.8162 -1.3423 -1.3324 3.8812 3.8817 7.2851 7.2922 7.3337 7.3345 13.5001 13.5044 16.9498 16.9499 22.0247 22.0258 24.2805 24.2950 k = 0.5000-0.2646 0.4253 ( 740 PWs) bands (ev): -4.8922 -4.8828 -3.4467 -3.4366 -3.1039 -3.0658 -2.9873 -2.9761 -2.8273 -2.8148 -1.3418 -1.3270 3.8842 3.8850 7.2730 7.2839 7.3233 7.3248 13.5216 13.5280 16.9653 16.9654 22.0200 22.0218 24.2551 24.2781 k = 0.5000-0.2566 0.4309 ( 740 PWs) bands (ev): -4.8937 -4.8812 -3.4478 -3.4345 -3.1118 -3.0612 -2.9887 -2.9740 -2.8303 -2.8137 -1.3400 -1.3205 3.8885 3.8895 7.2569 7.2717 7.3090 7.3114 13.5521 13.5605 16.9867 16.9870 22.0136 22.0160 24.2151 24.2460 k = 0.5000-0.2486 0.4366 ( 740 PWs) bands (ev): -4.8952 -4.8796 -3.4487 -3.4321 -3.1200 -3.0572 -2.9900 -2.9717 -2.8336 -2.8129 -1.3371 -1.3128 3.8939 3.8952 7.2369 7.2558 7.2910 7.2945 13.5912 13.6015 17.0142 17.0144 22.0055 22.0085 24.1602 24.1978 k = 0.5000-0.2406 0.4423 ( 740 PWs) bands (ev): -4.8967 -4.8781 -3.4494 -3.4297 -3.1287 -3.0536 -2.9912 -2.9694 -2.8371 -2.8123 -1.3330 -1.3042 3.9006 3.9021 7.2132 7.2362 7.2693 7.2742 13.6388 13.6509 17.0473 17.0476 21.9957 21.9993 24.0915 24.1349 k = 0.5000-0.2325 0.4479 ( 740 PWs) bands (ev): -4.8982 -4.8765 -3.4500 -3.4271 -3.1376 -3.0506 -2.9922 -2.9670 -2.8409 -2.8119 -1.3278 -1.2945 3.9085 3.9103 7.1860 7.2132 7.2444 7.2507 13.6944 13.7082 17.0860 17.0863 21.9842 21.9884 24.0105 24.0592 k = 0.5000-0.2245 0.4536 ( 740 PWs) bands (ev): -4.8996 -4.8749 -3.4504 -3.4244 -3.1468 -3.0482 -2.9930 -2.9645 -2.8449 -2.8118 -1.3216 -1.2840 3.9175 3.9195 7.1556 7.1870 7.2164 7.2243 13.7578 13.7731 17.1300 17.1302 21.9711 21.9759 23.9182 23.9719 k = 0.5000-0.2165 0.4593 ( 740 PWs) bands (ev): -4.9010 -4.8734 -3.4506 -3.4217 -3.1563 -3.0462 -2.9937 -2.9620 -2.8491 -2.8119 -1.3143 -1.2727 3.9277 3.9300 7.1223 7.1578 7.1856 7.1951 13.8286 13.8452 17.1790 17.1792 21.9563 21.9617 23.8159 23.8743 k = 0.5000-0.2085 0.4649 ( 744 PWs) bands (ev): -4.9025 -4.8720 -3.4507 -3.4189 -3.1660 -3.0446 -2.9942 -2.9594 -2.8534 -2.8122 -1.3062 -1.2607 3.9390 3.9415 7.0864 7.1259 7.1523 7.1633 13.9063 13.9241 17.2327 17.2328 21.9398 21.9459 23.7044 23.7673 k = 0.5000-0.2005 0.4706 ( 738 PWs) bands (ev): -4.9037 -4.8703 -3.4505 -3.4159 -3.1758 -3.0435 -2.9946 -2.9567 -2.8579 -2.8127 -1.2972 -1.2479 3.9513 3.9540 7.0485 7.0916 7.1170 7.1294 13.9908 14.0096 17.2908 17.2909 21.9219 21.9286 23.5850 23.6521 k = 0.5000-0.1925 0.4763 ( 738 PWs) bands (ev): -4.9050 -4.8688 -3.4503 -3.4130 -3.1857 -3.0428 -2.9949 -2.9540 -2.8625 -2.8133 -1.2875 -1.2347 3.9647 3.9676 7.0087 7.0552 7.0796 7.0933 14.0814 14.1009 17.3529 17.3529 21.9024 21.9098 23.4579 23.5291 k = 0.5000-0.1844 0.4820 ( 738 PWs) bands (ev): -4.9063 -4.8673 -3.4498 -3.4100 -3.1958 -3.0423 -2.9951 -2.9512 -2.8672 -2.8142 -1.2770 -1.2209 3.9790 3.9822 6.9674 7.0170 7.0405 7.0554 14.1776 14.1978 17.4185 17.4187 21.8815 21.8896 23.3244 23.3994 k = 0.5000-0.1764 0.4876 ( 738 PWs) bands (ev): -4.9075 -4.8659 -3.4492 -3.4070 -3.2059 -3.0421 -2.9953 -2.9484 -2.8720 -2.8153 -1.2661 -1.2068 3.9943 3.9976 6.9251 6.9775 7.0000 7.0159 14.2789 14.2996 17.4873 17.4877 21.8592 21.8679 23.1852 23.2638 k = 0.5000-0.1684 0.4933 ( 742 PWs) bands (ev): -4.9087 -4.8645 -3.4484 -3.4041 -3.2160 -3.0422 -2.9955 -2.9456 -2.8768 -2.8165 -1.2546 -1.1925 4.0103 4.0138 6.8820 6.9371 6.9582 6.9750 14.3850 14.4059 17.5587 17.5594 21.8356 21.8450 23.0411 23.1233 k = 0.5000-0.1604 0.4990 ( 742 PWs) bands (ev): -4.9098 -4.8632 -3.4475 -3.4011 -3.2261 -3.0424 -2.9957 -2.9427 -2.8816 -2.8179 -1.2428 -1.1779 4.0272 4.0309 6.8385 6.8960 6.9156 6.9332 14.4953 14.5163 17.6326 17.6336 21.8107 21.8208 22.8930 22.9785 k = 0.5000-0.1524 0.5046 ( 742 PWs) bands (ev): -4.9109 -4.8618 -3.4464 -3.3982 -3.2361 -3.0426 -2.9960 -2.9397 -2.8865 -2.8194 -1.2307 -1.1633 4.0447 4.0485 6.7950 6.8547 6.8723 6.8907 14.6093 14.6302 17.7084 17.7097 21.7847 21.7956 22.7416 22.8304 k = 0.5000-0.1443 0.5103 ( 742 PWs) bands (ev): -4.9120 -4.8605 -3.4451 -3.3953 -3.2460 -3.0429 -2.9963 -2.9367 -2.8912 -2.8210 -1.2184 -1.1486 4.0628 4.0668 6.7518 6.8134 6.8287 6.8477 14.7265 14.7470 17.7855 17.7872 21.7576 21.7693 22.5878 22.6797 k = 0.5000-0.1363 0.5160 ( 742 PWs) bands (ev): -4.9130 -4.8593 -3.4436 -3.3924 -3.2558 -3.0431 -2.9968 -2.9336 -2.8959 -2.8228 -1.2060 -1.1341 4.0814 4.0856 6.7090 6.7724 6.7851 6.8045 14.8463 14.8662 17.8636 17.8656 21.7297 21.7421 22.4323 22.5272 k = 0.5000-0.1283 0.5217 ( 742 PWs) bands (ev): -4.9140 -4.8581 -3.4420 -3.3897 -3.2655 -3.0434 -2.9973 -2.9305 -2.9005 -2.8247 -1.1937 -1.1198 4.1004 4.1047 6.6671 6.7316 6.7421 6.7616 14.9680 14.9873 17.9419 17.9444 21.7009 21.7141 22.2759 22.3738 k = 0.5000-0.1203 0.5273 ( 742 PWs) bands (ev): -4.9149 -4.8570 -3.4403 -3.3870 -3.2749 -3.0435 -2.9980 -2.9274 -2.9050 -2.8267 -1.1815 -1.1058 4.1196 4.1240 6.6262 6.6909 6.7005 6.7191 15.0911 15.1094 18.0201 18.0231 21.6716 21.6856 22.1194 22.2204 k = 0.5000-0.1123 0.5330 ( 738 PWs) bands (ev): -4.9156 -4.8558 -3.4383 -3.3844 -3.2841 -3.0435 -2.9987 -2.9243 -2.9092 -2.8287 -1.1696 -1.0922 4.1390 4.1434 6.5867 6.6499 6.6612 6.6774 15.2149 15.2321 18.0976 18.1011 21.6419 21.6568 21.9638 22.0678 k = 0.5000-0.1042 0.5387 ( 738 PWs) bands (ev): -4.9165 -4.8548 -3.4362 -3.3820 -3.2932 -3.0434 -2.9997 -2.9211 -2.9133 -2.8309 -1.1580 -1.0791 4.1582 4.1628 6.5486 6.6091 6.6243 6.6368 15.3386 15.3544 18.1738 18.1778 21.6119 21.6277 21.8099 21.9169 k = 0.5000-0.0962 0.5443 ( 738 PWs) bands (ev): -4.9172 -4.8538 -3.4340 -3.3797 -3.3019 -3.0432 -3.0008 -2.9180 -2.9172 -2.8332 -1.1468 -1.0666 4.1772 4.1819 6.5123 6.5691 6.5897 6.5977 15.4613 15.4756 18.2480 18.2526 21.5819 21.5986 21.6587 21.7688 k = 0.5000-0.0882 0.5500 ( 738 PWs) bands (ev): -4.9179 -4.8529 -3.4316 -3.3776 -3.3104 -3.0428 -3.0020 -2.9209 -2.9149 -2.8355 -1.1361 -1.0547 4.1959 4.2006 6.4778 6.5305 6.5572 6.5604 15.5821 15.5946 18.3197 18.3249 21.5112 21.5518 21.5700 21.6249 k = 0.5000-0.0802 0.5557 ( 738 PWs) bands (ev): -4.9185 -4.8521 -3.4290 -3.3757 -3.3185 -3.0422 -3.0034 -2.9242 -2.9118 -2.8379 -1.1261 -1.0436 4.2139 4.2186 6.4455 6.4937 6.5252 6.5270 15.7000 15.7106 18.3882 18.3941 21.3687 21.4831 21.5252 21.5419 k = 0.5000-0.0722 0.5613 ( 742 PWs) bands (ev): -4.9191 -4.8513 -3.4263 -3.3739 -3.3264 -3.0414 -3.0051 -2.9274 -2.9088 -2.8404 -1.1168 -1.0333 4.2311 4.2359 6.4153 6.4592 6.4924 6.4991 15.8137 15.8223 18.4529 18.4595 21.2322 21.3508 21.4962 21.5148 k = 0.5000-0.0642 0.5670 ( 736 PWs) bands (ev): -4.9195 -4.8505 -3.4233 -3.3722 -3.3339 -3.0404 -3.0067 -2.9301 -2.9057 -2.8428 -1.1082 -1.0238 4.2473 4.2521 6.3876 6.4272 6.4624 6.4739 15.9224 15.9287 18.5133 18.5205 21.1035 21.2253 21.4695 21.4891 k = 0.5000-0.0561 0.5727 ( 734 PWs) bands (ev): -4.9200 -4.8499 -3.4203 -3.3708 -3.3410 -3.0392 -3.0086 -2.9326 -2.9027 -2.8451 -1.1004 -1.0153 4.2622 4.2671 6.3624 6.3981 6.4354 6.4513 16.0239 16.0279 18.5684 18.5763 20.9838 21.1087 21.4446 21.4650 k = 0.5000-0.0481 0.5784 ( 734 PWs) bands (ev): -4.9204 -4.8494 -3.4171 -3.3695 -3.3477 -3.0379 -3.0105 -2.9347 -2.8999 -2.8475 -1.0936 -1.0079 4.2757 4.2806 6.3400 6.3721 6.4117 6.4315 16.1169 16.1186 18.6179 18.6263 20.8748 21.0028 21.4219 21.4431 k = 0.5000-0.0401 0.5840 ( 734 PWs) bands (ev): -4.9207 -4.8489 -3.4139 -3.3684 -3.3540 -3.0364 -3.0126 -2.9365 -2.8973 -2.8497 -1.0877 -1.0015 4.2876 4.2924 6.3206 6.3496 6.3913 6.4145 16.1993 16.1999 18.6610 18.6700 20.7784 20.9091 21.4018 21.4237 k = 0.5000-0.0321 0.5897 ( 734 PWs) bands (ev): -4.9210 -4.8485 -3.4106 -3.3676 -3.3598 -3.0348 -3.0146 -2.9380 -2.8950 -2.8518 -1.0828 -0.9961 4.2976 4.3024 6.3043 6.3308 6.3745 6.4005 16.2683 16.2709 18.6971 18.7066 20.6962 20.8295 21.3846 21.4071 k = 0.5000-0.0241 0.5954 ( 734 PWs) bands (ev): -4.9212 -4.8482 -3.4075 -3.3669 -3.3649 -3.0331 -3.0167 -2.9392 -2.8929 -2.8535 -1.0789 -0.9920 4.3055 4.3104 6.2914 6.3159 6.3614 6.3895 16.3239 16.3284 18.7258 18.7357 20.6301 20.7654 21.3709 21.3938 k = 0.5000-0.0160 0.6010 ( 738 PWs) bands (ev): -4.9214 -4.8480 -3.4047 -3.3692 -3.3665 -3.0317 -3.0185 -2.9400 -2.8914 -2.8550 -1.0762 -0.9890 4.3113 4.3162 6.2820 6.3051 6.3519 6.3817 16.3648 16.3706 18.7466 18.7568 20.5815 20.7185 21.3605 21.3839 k = 0.5000-0.0080 0.6067 ( 740 PWs) bands (ev): -4.9215 -4.8480 -3.4027 -3.3721 -3.3662 -3.0304 -3.0200 -2.9406 -2.8904 -2.8559 -1.0745 -0.9872 4.3148 4.3197 6.2764 6.2985 6.3463 6.3769 16.3897 16.3964 18.7592 18.7696 20.5518 20.6898 21.3542 21.3778 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -4.9216 -4.8480 -3.4020 -3.3732 -3.3662 -3.0300 -3.0206 -2.9408 -2.8901 -2.8563 -1.0739 -0.9866 4.3160 4.3209 6.2744 6.2963 6.3444 6.3753 16.3980 16.4050 18.7634 18.7738 20.5417 20.6801 21.3520 21.3757 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -4.9216 -4.8480 -3.4020 -3.3732 -3.3662 -3.0300 -3.0206 -2.9408 -2.8901 -2.8563 -1.0739 -0.9866 4.3160 4.3209 6.2744 6.2963 6.3444 6.3753 16.3980 16.4050 18.7634 18.7738 20.5417 20.6801 21.3520 21.3757 k = 0.4950 0.0087 0.6124 ( 744 PWs) bands (ev): -4.9217 -4.8481 -3.4025 -3.3730 -3.3658 -3.0302 -3.0203 -2.9408 -2.8902 -2.8561 -1.0747 -0.9874 4.3150 4.3199 6.2457 6.2907 6.3569 6.4054 16.3940 16.4009 18.7595 18.7698 20.5434 20.6806 21.3586 21.3832 k = 0.4900 0.0173 0.6124 ( 734 PWs) bands (ev): -4.9217 -4.8482 -3.4039 -3.3720 -3.3648 -3.0308 -3.0195 -2.9407 -2.8905 -2.8556 -1.0769 -0.9895 4.3121 4.3172 6.2053 6.2553 6.4054 6.4572 16.3824 16.3889 18.7481 18.7580 20.5501 20.6842 21.3778 21.4044 k = 0.4850 0.0260 0.6124 ( 734 PWs) bands (ev): -4.9219 -4.8487 -3.4063 -3.3706 -3.3635 -3.0319 -3.0185 -2.9409 -2.8912 -2.8549 -1.0803 -0.9929 4.3074 4.3126 6.1647 6.2156 6.4652 6.5171 16.3620 16.3681 18.7290 18.7382 20.5637 20.6931 21.4066 21.4364 k = 0.4800 0.0346 0.6124 ( 734 PWs) bands (ev): -4.9222 -4.8493 -3.4092 -3.3690 -3.3617 -3.0330 -3.0175 -2.9410 -2.8921 -2.8540 -1.0849 -0.9974 4.3011 4.3065 6.1251 6.1762 6.5315 6.5831 16.3333 16.3388 18.7032 18.7117 20.5855 20.7090 21.4441 21.4775 k = 0.4750 0.0433 0.6124 ( 734 PWs) bands (ev): -4.9225 -4.8500 -3.4124 -3.3674 -3.3595 -3.0342 -3.0164 -2.9412 -2.8931 -2.8529 -1.0903 -1.0027 4.2934 4.2989 6.0868 6.1379 6.6032 6.6541 16.2963 16.3014 18.6718 18.6794 20.6157 20.7325 21.4888 21.5264 k = 0.4700 0.0520 0.6124 ( 733 PWs) bands (ev): -4.9229 -4.8508 -3.4158 -3.3660 -3.3569 -3.0353 -3.0154 -2.9415 -2.8943 -2.8517 -1.0965 -1.0088 4.2845 4.2902 6.0499 6.1009 6.6793 6.7293 16.2513 16.2563 18.6363 18.6430 20.6537 20.7634 21.5401 21.5819 k = 0.4650 0.0606 0.6124 ( 733 PWs) bands (ev): -4.9233 -4.8518 -3.4192 -3.3647 -3.3538 -3.0364 -3.0144 -2.9418 -2.8955 -2.8503 -1.1034 -1.0156 4.2746 4.2806 6.0146 6.0655 6.7589 6.8079 16.1984 16.2039 18.5979 18.6039 20.6986 20.8008 21.5970 21.6433 k = 0.4600 0.0693 0.6124 ( 734 PWs) bands (ev): -4.9238 -4.8528 -3.4226 -3.3636 -3.3506 -3.0374 -3.0136 -2.9421 -2.8969 -2.8489 -1.1107 -1.0227 4.2641 4.2702 5.9809 6.0317 6.8413 6.8891 16.1384 16.1447 18.5582 18.5636 20.7489 20.8434 21.6594 21.7103 k = 0.4550 0.0779 0.6124 ( 738 PWs) bands (ev): -4.9244 -4.8540 -3.4260 -3.3626 -3.3472 -3.0383 -3.0130 -2.9425 -2.8982 -2.8474 -1.1183 -1.0302 4.2530 4.2594 5.9489 5.9995 6.9255 6.9720 16.0723 16.0798 18.5183 18.5231 20.8031 20.8900 21.7271 21.7826 k = 0.4500 0.0866 0.6124 ( 736 PWs) bands (ev): -4.9249 -4.8552 -3.4293 -3.3617 -3.3436 -3.0390 -3.0125 -2.9428 -2.8996 -2.8459 -1.1261 -1.0379 4.2418 4.2484 5.9187 5.9691 7.0110 7.0559 16.0013 16.0098 18.4793 18.4837 20.8596 20.9390 21.8002 21.8603 k = 0.4450 0.0953 0.6124 ( 739 PWs) bands (ev): -4.9254 -4.8564 -3.4324 -3.3609 -3.3401 -3.0396 -3.0122 -2.9431 -2.9010 -2.8444 -1.1339 -1.0456 4.2304 4.2372 5.8902 5.9404 7.0967 7.1399 15.9262 15.9359 18.4419 18.4460 20.9168 20.9891 21.8784 21.9429 k = 0.4400 0.1039 0.6124 ( 737 PWs) bands (ev): -4.9259 -4.8576 -3.4354 -3.3601 -3.3366 -3.0400 -3.0121 -2.9433 -2.9023 -2.8429 -1.1418 -1.0533 4.2192 4.2262 5.8635 5.9136 7.1820 7.2233 15.8486 15.8592 18.4067 18.4105 20.9735 21.0390 21.9621 22.0308 k = 0.4350 0.1126 0.6124 ( 737 PWs) bands (ev): -4.9264 -4.8588 -3.4382 -3.3594 -3.3332 -3.0403 -3.0122 -2.9436 -2.9036 -2.8415 -1.1494 -1.0609 4.2083 4.2154 5.8387 5.8886 7.2658 7.3051 15.7695 15.7809 18.3740 18.3776 21.0283 21.0876 22.0511 22.1235 k = 0.4300 0.1212 0.6124 ( 737 PWs) bands (ev): -4.9269 -4.8600 -3.4408 -3.3587 -3.3299 -3.0405 -3.0124 -2.9437 -2.9049 -2.8401 -1.1568 -1.0682 4.1978 4.2051 5.8158 5.8655 7.3474 7.3844 15.6905 15.7024 18.3440 18.3475 21.0803 21.1340 22.1452 22.2208 k = 0.4250 0.1299 0.6124 ( 733 PWs) bands (ev): -4.9273 -4.8612 -3.4432 -3.3581 -3.3267 -3.0404 -3.0128 -2.9438 -2.9060 -2.8387 -1.1639 -1.0751 4.1878 4.1953 5.7948 5.8444 7.4260 7.4606 15.6129 15.6250 18.3170 18.3202 21.1288 21.1776 22.2443 22.3223 k = 0.4200 0.1386 0.6124 ( 735 PWs) bands (ev): -4.9278 -4.8624 -3.4454 -3.3575 -3.3237 -3.0403 -3.0134 -2.9439 -2.9071 -2.8374 -1.1706 -1.0816 4.1785 4.1861 5.7757 5.8251 7.5005 7.5325 15.5379 15.5499 18.2927 18.2958 21.1732 21.2178 22.3476 22.4272 k = 0.4150 0.1472 0.6124 ( 735 PWs) bands (ev): -4.9282 -4.8634 -3.4474 -3.3570 -3.3209 -3.0401 -3.0142 -2.9439 -2.9081 -2.8363 -1.1767 -1.0877 4.1700 4.1776 5.7585 5.8078 7.5704 7.5995 15.4669 15.4785 18.2713 18.2742 21.2132 21.2543 22.4545 22.5350 k = 0.4100 0.1559 0.6124 ( 733 PWs) bands (ev): -4.9285 -4.8643 -3.4492 -3.3566 -3.3184 -3.0398 -3.0150 -2.9439 -2.9091 -2.8353 -1.1823 -1.0931 4.1622 4.1700 5.7433 5.7926 7.6347 7.6608 15.4011 15.4121 18.2527 18.2554 21.2485 21.2867 22.5642 22.6444 k = 0.4050 0.1645 0.6124 ( 736 PWs) bands (ev): -4.9289 -4.8652 -3.4507 -3.3562 -3.3161 -3.0394 -3.0159 -2.9440 -2.9099 -2.8344 -1.1872 -1.0980 4.1554 4.1632 5.7301 5.7793 7.6924 7.7154 15.3416 15.3516 18.2367 18.2393 21.2791 21.3150 22.6754 22.7540 k = 0.4000 0.1732 0.6124 ( 736 PWs) bands (ev): -4.9292 -4.8660 -3.4521 -3.3559 -3.3142 -3.0390 -3.0168 -2.9439 -2.9106 -2.8336 -1.1915 -1.1022 4.1495 4.1575 5.7189 5.7680 7.7431 7.7628 15.2895 15.2983 18.2234 18.2258 21.3049 21.3390 22.7864 22.8620 k = 0.3950 0.1819 0.6124 ( 736 PWs) bands (ev): -4.9294 -4.8667 -3.4531 -3.3556 -3.3125 -3.0385 -3.0176 -2.9439 -2.9112 -2.8329 -1.1950 -1.1057 4.1447 4.1526 5.7098 5.7587 7.7860 7.8023 15.2458 15.2531 18.2126 18.2149 21.3259 21.3586 22.8949 22.9653 k = 0.3900 0.1905 0.6124 ( 736 PWs) bands (ev): -4.9296 -4.8672 -3.4540 -3.3554 -3.3112 -3.0381 -3.0183 -2.9438 -2.9117 -2.8324 -1.1978 -1.1085 4.1409 4.1489 5.7026 5.7515 7.8204 7.8333 15.2112 15.2169 18.2043 18.2064 21.3422 21.3739 22.9973 23.0592 k = 0.3850 0.1992 0.6124 ( 736 PWs) bands (ev): -4.9297 -4.8675 -3.4546 -3.3553 -3.3103 -3.0377 -3.0189 -2.9438 -2.9120 -2.8320 -1.1999 -1.1104 4.1381 4.1462 5.6975 5.7464 7.8458 7.8553 15.1862 15.1902 18.1984 18.2004 21.3539 21.3849 23.0876 23.1359 k = 0.3800 0.2078 0.6124 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4550 -3.3552 -3.3097 -3.0375 -3.0193 -2.9438 -2.9122 -2.8318 -1.2011 -1.1116 4.1364 4.1445 5.6944 5.7433 7.8614 7.8682 15.1713 15.1735 18.1948 18.1968 21.3608 21.3914 23.1561 23.1842 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.3700 0.2136 0.6042 ( 740 PWs) bands (ev): -4.9325 -4.8694 -3.4552 -3.3516 -3.3173 -3.0380 -3.0207 -2.9487 -2.9108 -2.8336 -1.2044 -1.1129 4.1405 4.1494 5.6571 5.7051 7.9080 7.9137 15.2554 15.2580 18.2223 18.2245 21.2985 21.3310 23.1186 23.1247 k = 0.3650 0.2107 0.5960 ( 734 PWs) bands (ev): -4.9351 -4.8710 -3.4553 -3.3486 -3.3241 -3.0385 -3.0219 -2.9539 -2.9089 -2.8354 -1.2096 -1.1161 4.1432 4.1528 5.6297 5.6768 7.9502 7.9561 15.3447 15.3488 18.2427 18.2450 21.2313 21.2656 23.0492 23.0540 k = 0.3600 0.2078 0.5879 ( 734 PWs) bands (ev): -4.9380 -4.8731 -3.4555 -3.3474 -3.3293 -3.0392 -3.0230 -2.9592 -2.9070 -2.8373 -1.2176 -1.1220 4.1440 4.1545 5.6112 5.6572 7.9934 7.9994 15.4344 15.4402 18.2542 18.2565 21.1617 21.1977 22.9799 22.9835 k = 0.3550 0.2050 0.5797 ( 734 PWs) bands (ev): -4.9411 -4.8754 -3.4556 -3.3495 -3.3311 -3.0399 -3.0241 -2.9646 -2.9050 -2.8392 -1.2283 -1.1307 4.1433 4.1546 5.6017 5.6465 8.0375 8.0437 15.5247 15.5321 18.2570 18.2593 21.0904 21.1280 22.9108 22.9136 k = 0.3500 0.2021 0.5715 ( 734 PWs) bands (ev): -4.9445 -4.8781 -3.4557 -3.3544 -3.3299 -3.0407 -3.0251 -2.9699 -2.9030 -2.8411 -1.2419 -1.1423 4.1417 4.1538 5.6011 5.6446 8.0824 8.0889 15.6158 15.6247 18.2513 18.2533 21.0178 21.0568 22.8423 22.8443 k = 0.3450 0.1992 0.5634 ( 730 PWs) bands (ev): -4.9479 -4.8811 -3.4558 -3.3604 -3.3276 -3.0415 -3.0260 -2.9752 -2.9010 -2.8429 -1.2586 -1.1570 4.1397 4.1525 5.6088 5.6511 8.1283 8.1349 15.7076 15.7181 18.2371 18.2388 20.9443 20.9845 22.7747 22.7759 k = 0.3400 0.1963 0.5552 ( 730 PWs) bands (ev): -4.9517 -4.8846 -3.4560 -3.3668 -3.3250 -3.0425 -3.0268 -2.9805 -2.8991 -2.8448 -1.2785 -1.1749 4.1381 4.1515 5.6245 5.6656 8.1748 8.1816 15.8000 15.8122 18.2149 18.2161 20.8703 20.9116 22.7078 22.7085 k = 0.3350 0.1934 0.5471 ( 730 PWs) bands (ev): -4.9557 -4.8884 -3.4561 -3.3731 -3.3224 -3.0435 -3.0276 -2.9857 -2.8972 -2.8467 -1.3016 -1.1959 4.1376 4.1514 5.6477 5.6875 8.2219 8.2289 15.8933 15.9070 18.1850 18.1857 20.7962 20.8385 22.6420 22.6423 k = 0.3300 0.1905 0.5389 ( 730 PWs) bands (ev): -4.9600 -4.8926 -3.4563 -3.3794 -3.3199 -3.0447 -3.0283 -2.9907 -2.8954 -2.8486 -1.3280 -1.2202 4.1388 4.1530 5.6776 5.7163 8.2696 8.2768 15.9874 16.0026 18.1478 18.1479 20.7225 20.7656 22.5773 22.5775 k = 0.3250 0.1876 0.5307 ( 736 PWs) bands (ev): -4.9647 -4.8972 -3.4566 -3.3856 -3.3176 -3.0460 -3.0289 -2.9957 -2.8937 -2.8505 -1.3577 -1.2477 4.1425 4.1568 5.7139 5.7515 8.3177 8.3251 16.0822 16.0990 18.1031 18.1037 20.6493 20.6931 22.5137 22.5142 k = 0.3200 0.1848 0.5226 ( 736 PWs) bands (ev): -4.9696 -4.9023 -3.4568 -3.3915 -3.3156 -3.0474 -3.0294 -3.0005 -2.8921 -2.8524 -1.3906 -1.2784 4.1492 4.1635 5.7559 5.7926 8.3664 8.3739 16.1778 16.1961 18.0522 18.0535 20.5771 20.6215 22.4517 22.4525 k = 0.3150 0.1819 0.5144 ( 736 PWs) bands (ev): -4.9748 -4.9078 -3.4570 -3.3972 -3.3138 -3.0490 -3.0298 -3.0051 -2.8906 -2.8543 -1.4266 -1.3123 4.1594 4.1736 5.8031 5.8390 8.4154 8.4231 16.2740 16.2938 17.9957 17.9977 20.5061 20.5509 22.3913 22.3925 k = 0.3100 0.1790 0.5062 ( 736 PWs) bands (ev): -4.9804 -4.9138 -3.4573 -3.4028 -3.3124 -3.0508 -3.0301 -3.0094 -2.8893 -2.8561 -1.4657 -1.3491 4.1736 4.1874 5.8552 5.8902 8.4647 8.4725 16.3709 16.3920 17.9341 17.9368 20.4364 20.4818 22.3327 22.3341 k = 0.3050 0.1761 0.4981 ( 732 PWs) bands (ev): -4.9863 -4.9202 -3.4575 -3.4081 -3.3112 -3.0526 -3.0303 -3.0135 -2.8881 -2.8579 -1.5078 -1.3888 4.1920 4.2055 5.9116 5.9459 8.5142 8.5223 16.4680 16.4905 17.8682 17.8715 20.3685 20.4142 22.2760 22.2776 k = 0.3000 0.1732 0.4899 ( 732 PWs) bands (ev): -4.9926 -4.9272 -3.4578 -3.4133 -3.3103 -3.0549 -3.0304 -3.0173 -2.8870 -2.8597 -1.5525 -1.4312 4.2150 4.2279 5.9720 6.0058 8.5638 8.5721 16.5651 16.5888 17.7988 17.8026 20.3023 20.3484 22.2211 22.2229 k = 0.2950 0.1703 0.4817 ( 732 PWs) bands (ev): -4.9994 -4.9347 -3.4582 -3.4184 -3.3098 -3.0574 -3.0305 -3.0207 -2.8861 -2.8616 -1.5998 -1.4761 4.2426 4.2549 6.0361 6.0693 8.6135 8.6219 16.6617 16.6863 17.7270 17.7310 20.2382 20.2846 22.1683 22.1703 k = 0.2900 0.1674 0.4736 ( 736 PWs) bands (ev): -5.0067 -4.9428 -3.4586 -3.4233 -3.3097 -3.0603 -3.0305 -3.0238 -2.8854 -2.8635 -1.6495 -1.5233 4.2750 4.2866 6.1035 6.1363 8.6632 8.6718 16.7566 16.7817 17.6544 17.6580 20.1761 20.2229 22.1174 22.1196 k = 0.2850 0.1645 0.4654 ( 736 PWs) bands (ev): -5.0144 -4.9515 -3.4590 -3.4280 -3.3098 -3.0634 -3.0304 -3.0266 -2.8849 -2.8653 -1.7013 -1.5725 4.3123 4.3231 6.1742 6.2065 8.7128 8.7215 16.8481 16.8727 17.5836 17.5861 20.1164 20.1636 22.0686 22.0709 k = 0.2800 0.1617 0.4572 ( 744 PWs) bands (ev): -5.0226 -4.9609 -3.4595 -3.4326 -3.3104 -3.0670 -3.0303 -3.0290 -2.8845 -2.8673 -1.7549 -1.6235 4.3544 4.3643 6.2476 6.2796 8.7622 8.7710 16.9318 16.9542 17.5193 17.5200 20.0591 20.1067 22.0216 22.0241 k = 0.2750 0.1588 0.4491 ( 744 PWs) bands (ev): -5.0314 -4.9708 -3.4600 -3.4370 -3.3112 -3.0708 -3.0312 -3.0301 -2.8843 -2.8692 -1.8100 -1.6760 4.4013 4.4103 6.3238 6.3555 8.8114 8.8203 16.9993 17.0158 17.4669 17.4744 20.0046 20.0527 21.9771 21.9796 k = 0.2700 0.1559 0.4409 ( 750 PWs) bands (ev): -5.0408 -4.9815 -3.4606 -3.4413 -3.3125 -3.0748 -3.0330 -3.0298 -2.8844 -2.8712 -1.8665 -1.7298 4.4530 4.4611 6.4025 6.4339 8.8602 8.8693 17.0339 17.0399 17.4453 17.4644 19.9531 20.0017 21.9346 21.9372 k = 0.2650 0.1530 0.4327 ( 750 PWs) bands (ev): -5.0507 -4.9928 -3.4611 -3.4455 -3.3140 -3.0790 -3.0346 -3.0295 -2.8846 -2.8731 -1.9240 -1.7845 4.5093 4.5164 6.4835 6.5146 8.9086 8.9179 17.0169 17.0214 17.4692 17.4999 19.9047 19.9538 21.8943 21.8969 k = 0.2600 0.1501 0.4246 ( 750 PWs) bands (ev): -5.0613 -5.0049 -3.4618 -3.4495 -3.3158 -3.0834 -3.0361 -3.0292 -2.8850 -2.8751 -1.9823 -1.8400 4.5702 4.5763 6.5666 6.5975 8.9567 8.9660 16.9588 16.9694 17.5309 17.5689 19.8596 19.9093 21.8560 21.8587 k = 0.2550 0.1472 0.4164 ( 746 PWs) bands (ev): -5.0725 -5.0177 -3.4624 -3.4533 -3.3180 -3.0879 -3.0373 -3.0288 -2.8855 -2.8770 -2.0410 -1.8958 4.6355 4.6406 6.6517 6.6824 9.0042 9.0137 16.8815 16.8951 17.6131 17.6554 19.8181 19.8685 21.8197 21.8224 k = 0.2500 0.1443 0.4082 ( 742 PWs) bands (ev): -5.0844 -5.0313 -3.4632 -3.4571 -3.3205 -3.0925 -3.0385 -3.0283 -2.8861 -2.8789 -2.0999 -1.9519 4.7051 4.7092 6.7386 6.7691 9.0511 9.0607 16.7940 16.8094 17.7051 17.7505 19.7805 19.8316 21.7854 21.7881 k = 0.2450 0.1415 0.4001 ( 746 PWs) bands (ev): -5.0971 -5.0457 -3.4641 -3.4608 -3.3234 -3.0975 -3.0396 -3.0280 -2.8870 -2.8810 -2.1587 -2.0078 4.7788 4.7819 6.8271 6.8575 9.0972 9.1069 16.7007 16.7171 17.8016 17.8494 19.7470 19.7987 21.7527 21.7554 k = 0.2400 0.1386 0.3919 ( 746 PWs) bands (ev): -5.1106 -5.0610 -3.4650 -3.4644 -3.3266 -3.1025 -3.0407 -3.0276 -2.8881 -2.8831 -2.2171 -2.0634 4.8565 4.8586 6.9172 6.9474 9.1427 9.1525 16.6036 16.6209 17.8999 17.9499 19.7182 19.7707 21.7220 21.7246 k = 0.2350 0.1357 0.3838 ( 746 PWs) bands (ev): -5.1248 -5.0771 -3.4680 -3.4659 -3.3300 -3.1077 -3.0418 -3.0273 -2.8893 -2.8852 -2.2749 -2.1184 4.9380 4.9391 7.0086 7.0386 9.1875 9.1974 16.5041 16.5219 17.9986 18.0505 19.6947 19.7478 21.6929 21.6955 k = 0.2300 0.1328 0.3756 ( 746 PWs) bands (ev): -5.1399 -5.0942 -3.4714 -3.4670 -3.3339 -3.1130 -3.0429 -3.0269 -2.8907 -2.8873 -2.3317 -2.1725 5.0232 5.0233 7.1012 7.1311 9.2314 9.2413 16.4028 16.4211 18.0962 18.1500 19.6769 19.7305 21.6653 21.6678 k = 0.2250 0.1299 0.3674 ( 746 PWs) bands (ev): -5.1558 -5.1121 -3.4747 -3.4681 -3.3380 -3.1186 -3.0441 -3.0267 -2.8922 -2.8895 -2.3874 -2.2257 5.1111 5.1119 7.1949 7.2247 9.2744 9.2844 16.3002 16.3189 18.1919 18.2471 19.6655 19.7194 21.6390 21.6414 k = 0.2200 0.1270 0.3593 ( 742 PWs) bands (ev): -5.1725 -5.1309 -3.4780 -3.4692 -3.3424 -3.1244 -3.0454 -3.0265 -2.8938 -2.8918 -2.4416 -2.2775 5.2023 5.2041 7.2895 7.3192 9.3165 9.3265 16.1966 16.2157 18.2847 18.3409 19.6613 19.7151 21.6139 21.6163 k = 0.2150 0.1241 0.3511 ( 742 PWs) bands (ev): -5.1902 -5.1507 -3.4812 -3.4705 -3.3471 -3.1306 -3.0468 -3.0264 -2.8956 -2.8940 -2.4941 -2.3279 5.2967 5.2994 7.3849 7.4144 9.3576 9.3677 16.0923 16.1116 18.3736 18.4303 19.6652 19.7183 21.5898 21.5921 k = 0.2100 0.1212 0.3429 ( 742 PWs) bands (ev): -5.2088 -5.1714 -3.4844 -3.4718 -3.3521 -3.1371 -3.0485 -3.0265 -2.8974 -2.8963 -2.5446 -2.3767 5.3943 5.3979 7.4808 7.5102 9.3976 9.4078 15.9874 16.0070 18.4577 18.5141 19.6779 19.7297 21.5666 21.5686 k = 0.2050 0.1184 0.3348 ( 742 PWs) bands (ev): -5.2283 -5.1930 -3.4875 -3.4733 -3.3574 -3.1440 -3.0504 -3.0267 -2.8994 -2.8987 -2.5928 -2.4236 5.4948 5.4994 7.5773 7.6065 9.4366 9.4468 15.8822 15.9019 18.5363 18.5915 19.7003 19.7499 21.5439 21.5458 k = 0.2000 0.1155 0.3266 ( 734 PWs) bands (ev): -5.2486 -5.2155 -3.4905 -3.4746 -3.3628 -3.1514 -3.0526 -3.0270 -2.9014 -2.9010 -2.6385 -2.4686 5.5983 5.6037 7.6741 7.7033 9.4747 9.4848 15.7768 15.7966 18.6088 18.6619 19.7329 19.7792 21.5217 21.5234 k = 0.1950 0.1126 0.3184 ( 734 PWs) bands (ev): -5.2699 -5.2389 -3.4935 -3.4762 -3.3686 -3.1595 -3.0553 -3.0276 -2.9035 -2.9034 -2.6813 -2.5116 5.7044 5.7106 7.7710 7.8000 9.5115 9.5216 15.6712 15.6911 18.6748 18.7246 19.7755 19.8175 21.4997 21.5012 k = 0.1900 0.1097 0.3103 ( 738 PWs) bands (ev): -5.2921 -5.2632 -3.4965 -3.4779 -3.3747 -3.1684 -3.0585 -3.0286 -2.9059 -2.9057 -2.7210 -2.5524 5.8131 5.8201 7.8678 7.8966 9.5470 9.5571 15.5655 15.5853 18.7344 18.7800 19.8277 19.8647 21.4776 21.4789 k = 0.1850 0.1068 0.3021 ( 738 PWs) bands (ev): -5.3151 -5.2882 -3.4994 -3.4796 -3.3809 -3.1781 -3.0622 -3.0299 -2.9084 -2.9079 -2.7573 -2.5908 5.9243 5.9321 7.9645 7.9931 9.5814 9.5915 15.4598 15.4796 18.7880 18.8289 19.8886 19.9199 21.4555 21.4565 k = 0.1800 0.1039 0.2939 ( 736 PWs) bands (ev): -5.3389 -5.3141 -3.5023 -3.4814 -3.3874 -3.1889 -3.0665 -3.0315 -2.9109 -2.9102 -2.7899 -2.6268 6.0379 6.0464 8.0608 8.0892 9.6147 9.6247 15.3542 15.3739 18.8365 18.8724 19.9567 19.9819 21.4330 21.4338 k = 0.1750 0.1010 0.2858 ( 740 PWs) bands (ev): -5.3635 -5.3406 -3.5051 -3.4833 -3.3940 -3.2010 -3.0714 -3.0337 -2.9134 -2.9126 -2.8187 -2.6603 6.1536 6.1627 8.1566 8.1848 9.6468 9.6567 15.2486 15.2682 18.8807 18.9115 20.0302 20.0495 21.4100 21.4106 k = 0.1700 0.0981 0.2776 ( 748 PWs) bands (ev): -5.3889 -5.3679 -3.5080 -3.4853 -3.4009 -3.2143 -3.0770 -3.0364 -2.9160 -2.9150 -2.8435 -2.6914 6.2714 6.2812 8.2516 8.2796 9.6775 9.6873 15.1431 15.1625 18.9217 18.9475 20.1076 20.1210 21.3864 21.3867 k = 0.1650 0.0953 0.2694 ( 748 PWs) bands (ev): -5.4149 -5.3957 -3.5107 -3.4873 -3.4078 -3.2288 -3.0830 -3.0396 -2.9184 -2.9174 -2.8644 -2.7197 6.3912 6.4016 8.3459 8.3736 9.7072 9.7169 15.0378 15.0570 18.9608 18.9821 20.1871 20.1950 21.3622 21.3623 k = 0.1600 0.0924 0.2613 ( 748 PWs) bands (ev): -5.4414 -5.4240 -3.5134 -3.4894 -3.4148 -3.2445 -3.0893 -3.0436 -2.9208 -2.9199 -2.8815 -2.7455 6.5129 6.5239 8.4392 8.4666 9.7356 9.7453 14.9327 14.9517 18.9990 19.0159 20.2671 20.2699 21.3371 21.3376 k = 0.1550 0.0895 0.2531 ( 748 PWs) bands (ev): -5.4685 -5.4527 -3.5161 -3.4915 -3.4219 -3.2612 -3.0958 -3.0482 -2.9231 -2.9225 -2.8952 -2.7686 6.6363 6.6478 8.5313 8.5584 9.7629 9.7724 14.8278 14.8464 19.0369 19.0500 20.3443 20.3463 21.3113 21.3121 k = 0.1500 0.0866 0.2449 ( 749 PWs) bands (ev): -5.4959 -5.4817 -3.5187 -3.4936 -3.4290 -3.2786 -3.1023 -3.0536 -2.9254 -2.9253 -2.9058 -2.7892 6.7614 6.7734 8.6220 8.6489 9.7889 9.7983 14.7230 14.7413 19.0753 19.0849 20.4169 20.4231 21.2848 21.2861 k = 0.1450 0.0837 0.2368 ( 749 PWs) bands (ev): -5.5237 -5.5110 -3.5213 -3.4958 -3.4361 -3.2965 -3.1088 -3.0597 -2.9287 -2.9273 -2.9136 -2.8074 6.8879 6.9004 8.7112 8.7378 9.8138 9.8230 14.6183 14.6363 19.1149 19.1214 20.4864 20.4965 21.2578 21.2595 k = 0.1400 0.0808 0.2286 ( 749 PWs) bands (ev): -5.5518 -5.5404 -3.5238 -3.4981 -3.4431 -3.3146 -3.1150 -3.0665 -2.9322 -2.9292 -2.9190 -2.8233 7.0158 7.0287 8.7988 8.8249 9.8375 9.8465 14.5139 14.5314 19.1560 19.1597 20.5518 20.5654 21.2303 21.2326 k = 0.1350 0.0779 0.2205 ( 749 PWs) bands (ev): -5.5799 -5.5699 -3.5262 -3.5003 -3.4501 -3.3326 -3.1210 -3.0738 -2.9357 -2.9308 -2.9229 -2.8370 7.1450 7.1582 8.8846 8.9103 9.8600 9.8689 14.4096 14.4266 19.1991 19.2003 20.6118 20.6286 21.2026 21.2055 k = 0.1300 0.0751 0.2123 ( 753 PWs) bands (ev): -5.6082 -5.5992 -3.5287 -3.5027 -3.4571 -3.3503 -3.1269 -3.0817 -2.9389 -2.9324 -2.9257 -2.8490 7.2752 7.2887 8.9682 8.9935 9.8814 9.8901 14.3053 14.3218 19.2432 19.2443 20.6657 20.6853 21.1750 21.1785 k = 0.1250 0.0722 0.2041 ( 753 PWs) bands (ev): -5.6363 -5.6285 -3.5310 -3.5050 -3.4638 -3.3675 -3.1324 -3.0898 -2.9414 -2.9336 -2.9280 -2.8592 7.4064 7.4202 9.0499 9.0747 9.9016 9.9101 14.2012 14.2171 19.2889 19.2919 20.7124 20.7347 21.1478 21.1520 k = 0.1200 0.0693 0.1960 ( 753 PWs) bands (ev): -5.6643 -5.6574 -3.5332 -3.5073 -3.4705 -3.3840 -3.1376 -3.0982 -2.9435 -2.9347 -2.9299 -2.8680 7.5385 7.5525 9.1292 9.1535 9.9208 9.9291 14.0972 14.1125 19.3373 19.3421 20.7513 20.7758 21.1214 21.1263 k = 0.1150 0.0664 0.1878 ( 741 PWs) bands (ev): -5.6919 -5.6860 -3.5353 -3.5096 -3.4767 -3.3996 -3.1425 -3.1064 -2.9448 -2.9353 -2.9315 -2.8756 7.6715 7.6857 9.2063 9.2300 9.9390 9.9471 13.9933 14.0080 19.3884 19.3948 20.7816 20.8079 21.0965 21.1021 k = 0.1100 0.0635 0.1796 ( 741 PWs) bands (ev): -5.7192 -5.7141 -3.5374 -3.5119 -3.4830 -3.4145 -3.1473 -3.1147 -2.9459 -2.9360 -2.9330 -2.8822 7.8048 7.8191 9.2807 9.3038 9.9561 9.9639 13.8894 13.9034 19.4422 19.4499 20.8028 20.8304 21.0736 21.0797 k = 0.1050 0.0606 0.1715 ( 743 PWs) bands (ev): -5.7461 -5.7417 -3.5394 -3.5143 -3.4890 -3.4286 -3.1518 -3.1228 -2.9467 -2.9365 -2.9343 -2.8880 7.9385 7.9529 9.3524 9.3749 9.9721 9.9797 13.7856 13.7989 19.4985 19.5075 20.8148 20.8429 21.0534 21.0594 k = 0.1000 0.0577 0.1633 ( 747 PWs) bands (ev): -5.7723 -5.7686 -3.5414 -3.5167 -3.4948 -3.4419 -3.1563 -3.1306 -2.9471 -2.9369 -2.9354 -2.8931 8.0724 8.0868 9.4213 9.4432 9.9871 9.9944 13.6817 13.6943 19.5573 19.5673 20.8181 20.8457 21.0360 21.0412 k = 0.0950 0.0548 0.1551 ( 743 PWs) bands (ev): -5.7979 -5.7947 -3.5431 -3.5190 -3.5003 -3.4541 -3.1604 -3.1380 -2.9473 -2.9370 -2.9364 -2.8975 8.2064 8.2208 9.4875 9.5086 10.0012 10.0082 13.5781 13.5899 19.6182 19.6292 20.8136 20.8399 21.0207 21.0246 k = 0.0900 0.0520 0.1470 ( 739 PWs) bands (ev): -5.8227 -5.8200 -3.5448 -3.5212 -3.5055 -3.4655 -3.1643 -3.1450 -2.9472 -2.9373 -2.9370 -2.9015 8.3400 8.3544 9.5506 9.5709 10.0145 10.0213 13.4744 13.4854 19.6811 19.6928 20.8029 20.8274 21.0063 21.0086 k = 0.0850 0.0491 0.1388 ( 739 PWs) bands (ev): -5.8466 -5.8444 -3.5464 -3.5235 -3.5105 -3.4760 -3.1681 -3.1517 -2.9470 -2.9380 -2.9371 -2.9052 8.4733 8.4876 9.6106 9.6302 10.0268 10.0332 13.3709 13.3811 19.7454 19.7577 20.7879 20.8105 20.9914 20.9922 k = 0.0800 0.0462 0.1306 ( 739 PWs) bands (ev): -5.8697 -5.8678 -3.5478 -3.5258 -3.5153 -3.4857 -3.1716 -3.1579 -2.9468 -2.9386 -2.9370 -2.9084 8.6059 8.6200 9.6676 9.6863 10.0381 10.0443 13.2676 13.2770 19.8109 19.8237 20.7702 20.7910 20.9748 20.9752 k = 0.0750 0.0433 0.1225 ( 735 PWs) bands (ev): -5.8917 -5.8902 -3.5491 -3.5279 -3.5196 -3.4945 -3.1750 -3.1636 -2.9464 -2.9391 -2.9370 -2.9113 8.7376 8.7514 9.7214 9.7392 10.0487 10.0545 13.1646 13.1732 19.8770 19.8900 20.7510 20.7703 20.9560 20.9572 k = 0.0700 0.0404 0.1143 ( 737 PWs) bands (ev): -5.9126 -5.9114 -3.5503 -3.5301 -3.5239 -3.5026 -3.1783 -3.1689 -2.9459 -2.9395 -2.9368 -2.9141 8.8679 8.8814 9.7718 9.7887 10.0584 10.0639 13.0621 13.0698 19.9429 19.9561 20.7314 20.7493 20.9359 20.9375 k = 0.0650 0.0375 0.1061 ( 737 PWs) bands (ev): -5.9324 -5.9314 -3.5513 -3.5322 -3.5278 -3.5100 -3.1813 -3.1738 -2.9454 -2.9397 -2.9367 -2.9166 8.9966 9.0098 9.8190 9.8350 10.0673 10.0726 12.9603 12.9671 20.0081 20.0213 20.7123 20.7290 20.9146 20.9164 k = 0.0600 0.0346 0.0980 ( 737 PWs) bands (ev): -5.9509 -5.9502 -3.5523 -3.5342 -3.5314 -3.5166 -3.1841 -3.1782 -2.9449 -2.9399 -2.9366 -2.9189 9.1232 9.1360 9.8629 9.8778 10.0755 10.0804 12.8594 12.8653 20.0716 20.0845 20.6945 20.7100 20.8927 20.8944 k = 0.0550 0.0318 0.0898 ( 737 PWs) bands (ev): -5.9682 -5.9677 -3.5530 -3.5362 -3.5347 -3.5226 -3.1868 -3.1822 -2.9444 -2.9399 -2.9364 -2.9210 9.2472 9.2594 9.9034 9.9173 10.0829 10.0875 12.7598 12.7649 20.1324 20.1449 20.6788 20.6931 20.8705 20.8721 k = 0.0500 0.0289 0.0816 ( 737 PWs) bands (ev): -5.9842 -5.9838 -3.5536 -3.5381 -3.5378 -3.5279 -3.1893 -3.1858 -2.9438 -2.9398 -2.9363 -2.9230 9.3679 9.3796 9.9404 9.9533 10.0896 10.0939 12.6619 12.6662 20.1894 20.2010 20.6660 20.6790 20.8485 20.8499 k = 0.0450 0.0260 0.0735 ( 737 PWs) bands (ev): -5.9988 -5.9985 -3.5541 -3.5406 -3.5399 -3.5326 -3.1915 -3.1890 -2.9432 -2.9397 -2.9362 -2.9249 9.4846 9.4957 9.9740 9.9858 10.0957 10.0996 12.5665 12.5700 20.2410 20.2514 20.6572 20.6686 20.8274 20.8284 k = 0.0400 0.0231 0.0653 ( 737 PWs) bands (ev): -6.0119 -6.0117 -3.5544 -3.5431 -3.5417 -3.5367 -3.1936 -3.1918 -2.9427 -2.9394 -2.9361 -2.9266 9.5964 9.6067 10.0042 10.0149 10.1010 10.1047 12.4742 12.4770 20.2857 20.2947 20.6533 20.6629 20.8074 20.8082 k = 0.0350 0.0202 0.0572 ( 731 PWs) bands (ev): -6.0236 -6.0235 -3.5546 -3.5452 -3.5432 -3.5402 -3.1954 -3.1942 -2.9420 -2.9390 -2.9360 -2.9281 9.7021 9.7116 10.0311 10.0406 10.1059 10.1092 12.3862 12.3882 20.3224 20.3294 20.6552 20.6626 20.7890 20.7895 k = 0.0300 0.0173 0.0490 ( 731 PWs) bands (ev): -6.0338 -6.0338 -3.5546 -3.5471 -3.5448 -3.5433 -3.1970 -3.1963 -2.9414 -2.9387 -2.9360 -2.9296 9.8003 9.8089 10.0543 10.0627 10.1100 10.1130 12.3036 12.3050 20.3500 20.3550 20.6627 20.6679 20.7725 20.7728 k = 0.0250 0.0144 0.0408 ( 731 PWs) bands (ev): -6.0425 -6.0425 -3.5545 -3.5487 -3.5463 -3.5458 -3.1984 -3.1980 -2.9408 -2.9384 -2.9360 -2.9310 9.8893 9.8968 10.0740 10.0813 10.1135 10.1163 12.2281 12.2290 20.3691 20.3721 20.6747 20.6779 20.7582 20.7583 k = 0.0200 0.0115 0.0327 ( 731 PWs) bands (ev): -6.0497 -6.0497 -3.5543 -3.5500 -3.5479 -3.5476 -3.1996 -3.1993 -2.9401 -2.9380 -2.9361 -2.9323 9.9671 9.9734 10.0901 10.0963 10.1165 10.1190 12.1616 12.1622 20.3810 20.3826 20.6890 20.6906 20.7462 20.7462 k = 0.0150 0.0087 0.0245 ( 727 PWs) bands (ev): -6.0553 -6.0553 -3.5538 -3.5510 -3.5495 -3.5488 -3.2005 -3.2004 -2.9393 -2.9376 -2.9361 -2.9335 10.0314 10.0363 10.1028 10.1078 10.1191 10.1213 12.1064 12.1066 20.3877 20.3884 20.7029 20.7036 20.7367 20.7368 k = 0.0100 0.0058 0.0163 ( 725 PWs) bands (ev): -6.0593 -6.0593 -3.5533 -3.5516 -3.5507 -3.5500 -3.2011 -3.2011 -2.9384 -2.9373 -2.9362 -2.9346 10.0796 10.0829 10.1119 10.1155 10.1216 10.1233 12.0647 12.0647 20.3912 20.3914 20.7144 20.7146 20.7299 20.7299 k = 0.0050 0.0029 0.0082 ( 725 PWs) bands (ev): -6.0617 -6.0617 -3.5527 -3.5519 -3.5515 -3.5510 -3.2015 -3.2015 -2.9376 -2.9370 -2.9364 -2.9357 10.1080 10.1092 10.1196 10.1207 10.1242 10.1249 12.0386 12.0386 20.3926 20.3927 20.7218 20.7218 20.7258 20.7258 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0625 -6.0625 -3.5519 -3.5519 -3.5519 -3.5519 -3.2017 -3.2017 -2.9367 -2.9367 -2.9367 -2.9367 10.1145 10.1145 10.1254 10.1254 10.1254 10.1254 12.0297 12.0297 20.3930 20.3930 20.7244 20.7244 20.7244 20.7244 k = 0.0000 0.0000 0.0000 ( 725 PWs) bands (ev): -6.0625 -6.0625 -3.5519 -3.5519 -3.5519 -3.5519 -3.2017 -3.2017 -2.9367 -2.9367 -2.9367 -2.9367 10.1145 10.1145 10.1254 10.1254 10.1254 10.1254 12.0297 12.0297 20.3930 20.3930 20.7244 20.7244 20.7244 20.7244 k = 0.0082 0.0047 0.0033 ( 725 PWs) bands (ev): -6.0617 -6.0617 -3.5527 -3.5517 -3.5517 -3.5510 -3.2015 -3.2015 -2.9376 -2.9367 -2.9367 -2.9356 10.1082 10.1082 10.1203 10.1203 10.1243 10.1250 12.0387 12.0387 20.3927 20.3927 20.7219 20.7219 20.7256 20.7257 k = 0.0164 0.0095 0.0067 ( 725 PWs) bands (ev): -6.0592 -6.0592 -3.5534 -3.5511 -3.5511 -3.5499 -3.2011 -3.2011 -2.9385 -2.9368 -2.9368 -2.9345 10.0790 10.0790 10.1158 10.1158 10.1217 10.1230 12.0649 12.0649 20.3913 20.3913 20.7148 20.7148 20.7294 20.7295 k = 0.0246 0.0142 0.0100 ( 731 PWs) bands (ev): -6.0552 -6.0552 -3.5541 -3.5502 -3.5502 -3.5488 -3.2004 -3.2004 -2.9394 -2.9370 -2.9370 -2.9335 10.0288 10.0288 10.1113 10.1113 10.1175 10.1194 12.1069 12.1069 20.3883 20.3883 20.7040 20.7040 20.7357 20.7358 k = 0.0328 0.0189 0.0134 ( 731 PWs) bands (ev): -6.0496 -6.0496 -3.5545 -3.5488 -3.5488 -3.5476 -3.1994 -3.1994 -2.9401 -2.9371 -2.9371 -2.9322 9.9615 9.9615 10.1057 10.1057 10.1118 10.1143 12.1624 12.1624 20.3824 20.3824 20.6908 20.6908 20.7443 20.7445 k = 0.0410 0.0237 0.0167 ( 731 PWs) bands (ev): -6.0424 -6.0424 -3.5549 -3.5470 -3.5470 -3.5463 -3.1982 -3.1982 -2.9407 -2.9373 -2.9373 -2.9309 9.8798 9.8798 10.0986 10.0986 10.1046 10.1078 12.2289 12.2289 20.3722 20.3722 20.6773 20.6773 20.7554 20.7556 k = 0.0492 0.0284 0.0201 ( 731 PWs) bands (ev): -6.0336 -6.0336 -3.5552 -3.5449 -3.5448 -3.5448 -3.1966 -3.1966 -2.9412 -2.9375 -2.9375 -2.9295 9.7858 9.7858 10.0901 10.0901 10.0960 10.0998 12.3042 12.3042 20.3555 20.3555 20.6659 20.6659 20.7686 20.7689 k = 0.0574 0.0331 0.0234 ( 731 PWs) bands (ev): -6.0233 -6.0233 -3.5554 -3.5434 -3.5421 -3.5421 -3.1947 -3.1947 -2.9416 -2.9378 -2.9378 -2.9280 9.6818 9.6818 10.0801 10.0801 10.0859 10.0903 12.3862 12.3862 20.3308 20.3308 20.6587 20.6587 20.7840 20.7843 k = 0.0656 0.0379 0.0268 ( 731 PWs) bands (ev): -6.0115 -6.0115 -3.5554 -3.5418 -3.5391 -3.5391 -3.1926 -3.1926 -2.9419 -2.9380 -2.9380 -2.9265 9.5693 9.5693 10.0687 10.0687 10.0745 10.0794 12.4733 12.4733 20.2974 20.2974 20.6571 20.6571 20.8013 20.8016 k = 0.0738 0.0426 0.0301 ( 731 PWs) bands (ev): -5.9982 -5.9982 -3.5554 -3.5401 -3.5355 -3.5355 -3.1901 -3.1901 -2.9421 -2.9383 -2.9383 -2.9249 9.4497 9.4497 10.0559 10.0559 10.0617 10.0672 12.5639 12.5639 20.2556 20.2556 20.6611 20.6611 20.8203 20.8208 k = 0.0820 0.0473 0.0335 ( 737 PWs) bands (ev): -5.9835 -5.9835 -3.5553 -3.5385 -3.5315 -3.5315 -3.1874 -3.1874 -2.9423 -2.9387 -2.9387 -2.9232 9.3242 9.3242 10.0417 10.0417 10.0474 10.0535 12.6571 12.6571 20.2065 20.2065 20.6702 20.6702 20.8409 20.8414 k = 0.0902 0.0521 0.0368 ( 737 PWs) bands (ev): -5.9674 -5.9674 -3.5551 -3.5367 -3.5270 -3.5270 -3.1844 -3.1844 -2.9423 -2.9389 -2.9389 -2.9215 9.1937 9.1937 10.0263 10.0263 10.0321 10.0388 12.7519 12.7519 20.1516 20.1516 20.6835 20.6835 20.8628 20.8634 k = 0.0984 0.0568 0.0402 ( 737 PWs) bands (ev): -5.9499 -5.9499 -3.5547 -3.5349 -3.5220 -3.5220 -3.1810 -3.1810 -2.9421 -2.9391 -2.9391 -2.9197 9.0588 9.0588 10.0097 10.0097 10.0157 10.0228 12.8477 12.8477 20.0921 20.0921 20.7001 20.7001 20.8859 20.8865 k = 0.1066 0.0615 0.0435 ( 737 PWs) bands (ev): -5.9312 -5.9312 -3.5543 -3.5331 -3.5164 -3.5164 -3.1774 -3.1774 -2.9419 -2.9392 -2.9392 -2.9178 8.9202 8.9202 9.9920 9.9920 9.9981 10.0057 12.9437 12.9437 20.0294 20.0294 20.7192 20.7192 20.9097 20.9104 k = 0.1148 0.0663 0.0468 ( 737 PWs) bands (ev): -5.9113 -5.9113 -3.5538 -3.5312 -3.5103 -3.5103 -3.1734 -3.1734 -2.9415 -2.9392 -2.9392 -2.9159 8.7784 8.7784 9.9732 9.9732 9.9794 9.9875 13.0396 13.0396 19.9645 19.9645 20.7400 20.7400 20.9341 20.9349 k = 0.1230 0.0710 0.0502 ( 740 PWs) bands (ev): -5.8902 -5.8902 -3.5532 -3.5293 -3.5037 -3.5037 -3.1692 -3.1692 -2.9410 -2.9391 -2.9391 -2.9139 8.6337 8.6337 9.9534 9.9534 9.9598 9.9684 13.1350 13.1350 19.8982 19.8982 20.7622 20.7622 20.9588 20.9597 k = 0.1311 0.0757 0.0535 ( 740 PWs) bands (ev): -5.8680 -5.8680 -3.5525 -3.5274 -3.4964 -3.4964 -3.1646 -3.1646 -2.9404 -2.9389 -2.9389 -2.9119 8.4865 8.4865 9.9327 9.9327 9.9393 9.9482 13.2294 13.2294 19.8313 19.8313 20.7850 20.7850 20.9834 20.9843 k = 0.1393 0.0805 0.0569 ( 740 PWs) bands (ev): -5.8449 -5.8449 -3.5518 -3.5255 -3.4885 -3.4885 -3.1597 -3.1597 -2.9396 -2.9384 -2.9384 -2.9097 8.3371 8.3371 9.9111 9.9111 9.9179 9.9273 13.3225 13.3225 19.7644 19.7644 20.8081 20.8081 21.0077 21.0087 k = 0.1475 0.0852 0.0602 ( 739 PWs) bands (ev): -5.8208 -5.8208 -3.5510 -3.5236 -3.4799 -3.4799 -3.1545 -3.1545 -2.9387 -2.9376 -2.9376 -2.9076 8.1857 8.1857 9.8887 9.8887 9.8958 9.9055 13.4142 13.4142 19.6983 19.6983 20.8311 20.8311 21.0312 21.0323 k = 0.1557 0.0899 0.0636 ( 739 PWs) bands (ev): -5.7958 -5.7958 -3.5502 -3.5217 -3.4708 -3.4708 -3.1490 -3.1490 -2.9377 -2.9365 -2.9365 -2.9053 8.0326 8.0326 9.8656 9.8656 9.8730 9.8831 13.5042 13.5042 19.6332 19.6332 20.8536 20.8536 21.0538 21.0549 k = 0.1639 0.0946 0.0669 ( 739 PWs) bands (ev): -5.7702 -5.7702 -3.5493 -3.5198 -3.4610 -3.4610 -3.1432 -3.1432 -2.9365 -2.9350 -2.9350 -2.9030 7.8780 7.8780 9.8419 9.8419 9.8495 9.8599 13.5923 13.5923 19.5697 19.5697 20.8751 20.8751 21.0751 21.0763 k = 0.1721 0.0994 0.0703 ( 739 PWs) bands (ev): -5.7439 -5.7439 -3.5483 -3.5179 -3.4505 -3.4505 -3.1372 -3.1372 -2.9352 -2.9330 -2.9330 -2.9007 7.7221 7.7221 9.8176 9.8176 9.8256 9.8363 13.6782 13.6782 19.5082 19.5082 20.8954 20.8954 21.0948 21.0960 k = 0.1803 0.1041 0.0736 ( 739 PWs) bands (ev): -5.7170 -5.7170 -3.5473 -3.5161 -3.4394 -3.4394 -3.1310 -3.1310 -2.9337 -2.9303 -2.9303 -2.8983 7.5651 7.5651 9.7928 9.7928 9.8012 9.8121 13.7618 13.7618 19.4490 19.4490 20.9142 20.9142 21.1127 21.1138 k = 0.1885 0.1088 0.0770 ( 739 PWs) bands (ev): -5.6897 -5.6897 -3.5462 -3.5144 -3.4277 -3.4277 -3.1247 -3.1247 -2.9321 -2.9269 -2.9269 -2.8959 7.4071 7.4071 9.7676 9.7676 9.7763 9.7875 13.8428 13.8428 19.3923 19.3923 20.9312 20.9312 21.1284 21.1295 k = 0.1967 0.1136 0.0803 ( 733 PWs) bands (ev): -5.6621 -5.6621 -3.5451 -3.5126 -3.4154 -3.4154 -3.1182 -3.1182 -2.9302 -2.9224 -2.9224 -2.8933 7.2484 7.2484 9.7423 9.7423 9.7514 9.7627 13.9213 13.9213 19.3384 19.3384 20.9461 20.9461 21.1418 21.1429 k = 0.2049 0.1183 0.0837 ( 733 PWs) bands (ev): -5.6342 -5.6342 -3.5440 -3.5110 -3.4027 -3.4027 -3.1118 -3.1118 -2.9283 -2.9167 -2.9167 -2.8908 7.0892 7.0892 9.7165 9.7165 9.7260 9.7375 13.9970 13.9970 19.2875 19.2875 20.9588 20.9588 21.1527 21.1538 k = 0.2131 0.1230 0.0870 ( 745 PWs) bands (ev): -5.6063 -5.6063 -3.5430 -3.5096 -3.3896 -3.3896 -3.1056 -3.1056 -2.9264 -2.9098 -2.9098 -2.8884 6.9295 6.9295 9.6905 9.6905 9.7003 9.7120 14.0697 14.0697 19.2397 19.2397 20.9690 20.9690 21.1608 21.1619 k = 0.2213 0.1278 0.0904 ( 745 PWs) bands (ev): -5.5783 -5.5783 -3.5419 -3.5081 -3.3761 -3.3761 -3.0995 -3.0995 -2.9242 -2.9011 -2.9011 -2.8858 6.7696 6.7696 9.6644 9.6644 9.6747 9.6865 14.1394 14.1394 19.1953 19.1953 20.9767 20.9767 21.1663 21.1672 k = 0.2295 0.1325 0.0937 ( 745 PWs) bands (ev): -5.5505 -5.5505 -3.5407 -3.5067 -3.3622 -3.3622 -3.0937 -3.0937 -2.9218 -2.8905 -2.8905 -2.8832 6.6097 6.6097 9.6383 9.6383 9.6490 9.6609 14.2060 14.2060 19.1543 19.1543 20.9817 20.9817 21.1689 21.1698 k = 0.2377 0.1372 0.0970 ( 751 PWs) bands (ev): -5.5229 -5.5229 -3.5397 -3.5055 -3.3484 -3.3484 -3.0884 -3.0884 -2.9195 -2.8806 -2.8776 -2.8776 6.4498 6.4498 9.6121 9.6121 9.6233 9.6352 14.2694 14.2694 19.1167 19.1167 20.9841 20.9841 21.1687 21.1695 k = 0.2459 0.1420 0.1004 ( 751 PWs) bands (ev): -5.4956 -5.4956 -3.5385 -3.5043 -3.3343 -3.3343 -3.0836 -3.0836 -2.9169 -2.8780 -2.8623 -2.8623 6.2903 6.2903 9.5861 9.5861 9.5978 9.6097 14.3295 14.3295 19.0827 19.0827 20.9838 20.9838 21.1658 21.1664 k = 0.2541 0.1467 0.1037 ( 751 PWs) bands (ev): -5.4687 -5.4687 -3.5373 -3.5032 -3.3204 -3.3204 -3.0794 -3.0794 -2.9142 -2.8753 -2.8444 -2.8444 6.1313 6.1313 9.5603 9.5603 9.5725 9.5843 14.3863 14.3863 19.0521 19.0521 20.9810 20.9810 21.1601 21.1606 k = 0.2623 0.1514 0.1071 ( 751 PWs) bands (ev): -5.4424 -5.4424 -3.5362 -3.5021 -3.3066 -3.3066 -3.0758 -3.0758 -2.9114 -2.8726 -2.8236 -2.8236 5.9729 5.9729 9.5348 9.5348 9.5474 9.5592 14.4398 14.4398 19.0250 19.0250 20.9756 20.9756 21.1519 21.1522 k = 0.2705 0.1562 0.1104 ( 751 PWs) bands (ev): -5.4168 -5.4168 -3.5350 -3.5012 -3.2931 -3.2931 -3.0728 -3.0728 -2.9085 -2.8700 -2.8000 -2.8000 5.8154 5.8154 9.5095 9.5095 9.5226 9.5343 14.4899 14.4899 19.0013 19.0013 20.9679 20.9679 21.1413 21.1414 k = 0.2787 0.1609 0.1138 ( 757 PWs) bands (ev): -5.3918 -5.3918 -3.5339 -3.5004 -3.2800 -3.2800 -3.0705 -3.0705 -2.9055 -2.8674 -2.7735 -2.7735 5.6588 5.6588 9.4845 9.4845 9.4981 9.5097 14.5367 14.5367 18.9808 18.9808 20.9579 20.9579 21.1283 21.1283 k = 0.2869 0.1656 0.1171 ( 757 PWs) bands (ev): -5.3677 -5.3677 -3.5328 -3.4997 -3.2673 -3.2673 -3.0686 -3.0686 -2.9024 -2.8648 -2.7439 -2.7439 5.5036 5.5036 9.4600 9.4600 9.4741 9.4856 14.5802 14.5802 18.9635 18.9635 20.9459 20.9459 21.1133 21.1134 k = 0.2951 0.1704 0.1205 ( 757 PWs) bands (ev): -5.3443 -5.3443 -3.5316 -3.4991 -3.2551 -3.2551 -3.0672 -3.0672 -2.8993 -2.8622 -2.7114 -2.7114 5.3498 5.3498 9.4360 9.4360 9.4506 9.4619 14.6205 14.6205 18.9492 18.9492 20.9321 20.9321 21.0964 21.0967 k = 0.3033 0.1751 0.1238 ( 751 PWs) bands (ev): -5.3219 -5.3219 -3.5305 -3.4986 -3.2435 -3.2435 -3.0661 -3.0661 -2.8960 -2.8595 -2.6760 -2.6760 5.1977 5.1977 9.4125 9.4125 9.4276 9.4387 14.6576 14.6576 18.9381 18.9381 20.9167 20.9167 21.0780 21.0784 k = 0.3115 0.1798 0.1272 ( 751 PWs) bands (ev): -5.3004 -5.3004 -3.5294 -3.4981 -3.2324 -3.2324 -3.0655 -3.0655 -2.8927 -2.8570 -2.6380 -2.6380 5.0475 5.0475 9.3895 9.3895 9.4051 9.4160 14.6917 14.6917 18.9293 18.9293 20.8999 20.8999 21.0582 21.0587 k = 0.3197 0.1846 0.1305 ( 751 PWs) bands (ev): -5.2800 -5.2800 -3.5283 -3.4978 -3.2220 -3.2220 -3.0651 -3.0651 -2.8894 -2.8546 -2.5975 -2.5975 4.8994 4.8994 9.3672 9.3672 9.3833 9.3939 14.7228 14.7228 18.9230 18.9230 20.8819 20.8819 21.0374 21.0380 k = 0.3279 0.1893 0.1339 ( 751 PWs) bands (ev): -5.2605 -5.2605 -3.5272 -3.4976 -3.2121 -3.2121 -3.0650 -3.0650 -2.8861 -2.8522 -2.5546 -2.5546 4.7537 4.7537 9.3455 9.3455 9.3621 9.3725 14.7512 14.7512 18.9188 18.9188 20.8630 20.8630 21.0157 21.0164 k = 0.3361 0.1940 0.1372 ( 751 PWs) bands (ev): -5.2421 -5.2421 -3.5262 -3.4974 -3.2028 -3.2028 -3.0651 -3.0651 -2.8828 -2.8499 -2.5097 -2.5097 4.6107 4.6107 9.3246 9.3246 9.3417 9.3517 14.7768 14.7768 18.9167 18.9167 20.8434 20.8434 20.9934 20.9943 k = 0.3443 0.1988 0.1405 ( 751 PWs) bands (ev): -5.2248 -5.2248 -3.5251 -3.4974 -3.1941 -3.1941 -3.0653 -3.0653 -2.8795 -2.8477 -2.4630 -2.4630 4.4706 4.4706 9.3044 9.3044 9.3220 9.3317 14.7999 14.7999 18.9163 18.9163 20.8233 20.8233 20.9708 20.9717 k = 0.3525 0.2035 0.1439 ( 751 PWs) bands (ev): -5.2085 -5.2085 -3.5241 -3.4974 -3.1859 -3.1859 -3.0657 -3.0657 -2.8762 -2.8456 -2.4147 -2.4147 4.3337 4.3337 9.2850 9.2850 9.3031 9.3125 14.8206 14.8206 18.9175 18.9175 20.8030 20.8030 20.9481 20.9490 k = 0.3607 0.2082 0.1472 ( 751 PWs) bands (ev): -5.1933 -5.1933 -3.5231 -3.4975 -3.1782 -3.1782 -3.0661 -3.0661 -2.8729 -2.8436 -2.3652 -2.3652 4.2004 4.2004 9.2664 9.2664 9.2850 9.2940 14.8392 14.8392 18.9200 18.9200 20.7826 20.7826 20.9254 20.9264 k = 0.3689 0.2130 0.1506 ( 751 PWs) bands (ev): -5.1791 -5.1791 -3.5220 -3.4977 -3.1710 -3.1710 -3.0667 -3.0667 -2.8697 -2.8418 -2.3148 -2.3148 4.0711 4.0711 9.2487 9.2487 9.2678 9.2764 14.8556 14.8556 18.9235 18.9235 20.7623 20.7623 20.9030 20.9041 k = 0.3770 0.2177 0.1539 ( 751 PWs) bands (ev): -5.1660 -5.1660 -3.5211 -3.4980 -3.1644 -3.1644 -3.0673 -3.0673 -2.8665 -2.8400 -2.2638 -2.2638 3.9460 3.9460 9.2320 9.2320 9.2515 9.2597 14.8702 14.8702 18.9280 18.9280 20.7424 20.7424 20.8811 20.8822 k = 0.3852 0.2224 0.1573 ( 751 PWs) bands (ev): -5.1539 -5.1539 -3.5201 -3.4983 -3.1582 -3.1582 -3.0679 -3.0679 -2.8634 -2.8384 -2.2127 -2.2127 3.8256 3.8256 9.2161 9.2161 9.2362 9.2439 14.8830 14.8830 18.9331 18.9331 20.7230 20.7230 20.8598 20.8609 k = 0.3934 0.2272 0.1606 ( 748 PWs) bands (ev): -5.1426 -5.1426 -3.5191 -3.4987 -3.1524 -3.1524 -3.0686 -3.0686 -2.8604 -2.8369 -2.1618 -2.1618 3.7103 3.7103 9.2012 9.2012 9.2218 9.2290 14.8943 14.8943 18.9387 18.9387 20.7043 20.7043 20.8394 20.8405 k = 0.4016 0.2319 0.1640 ( 745 PWs) bands (ev): -5.1324 -5.1324 -3.5181 -3.4991 -3.1471 -3.1471 -3.0692 -3.0692 -2.8574 -2.8356 -2.1118 -2.1118 3.6005 3.6005 9.1873 9.1873 9.2084 9.2151 14.9041 14.9041 18.9446 18.9446 20.6864 20.6864 20.8199 20.8210 k = 0.4098 0.2366 0.1673 ( 751 PWs) bands (ev): -5.1232 -5.1232 -3.5173 -3.4997 -3.1424 -3.1424 -3.0699 -3.0699 -2.8546 -2.8344 -2.0629 -2.0629 3.4968 3.4968 9.1744 9.1744 9.1959 9.2021 14.9125 14.9125 18.9505 18.9505 20.6694 20.6694 20.8014 20.8025 k = 0.4180 0.2414 0.1707 ( 751 PWs) bands (ev): -5.1149 -5.1149 -3.5163 -3.5002 -3.1380 -3.1380 -3.0706 -3.0706 -2.8520 -2.8334 -2.0157 -2.0157 3.3995 3.3995 9.1625 9.1625 9.1845 9.1902 14.9198 14.9198 18.9564 18.9564 20.6535 20.6535 20.7842 20.7852 k = 0.4262 0.2461 0.1740 ( 751 PWs) bands (ev): -5.1074 -5.1074 -3.5154 -3.5008 -3.1340 -3.1340 -3.0712 -3.0712 -2.8494 -2.8326 -1.9708 -1.9708 3.3093 3.3093 9.1518 9.1518 9.1741 9.1793 14.9260 14.9260 18.9622 18.9622 20.6388 20.6388 20.7684 20.7693 k = 0.4344 0.2508 0.1774 ( 751 PWs) bands (ev): -5.1009 -5.1009 -3.5145 -3.5015 -3.1305 -3.1305 -3.0717 -3.0717 -2.8469 -2.8319 -1.9287 -1.9287 3.2267 3.2267 9.1420 9.1420 9.1648 9.1695 14.9313 14.9313 18.9678 18.9678 20.6254 20.6254 20.7539 20.7548 k = 0.4426 0.2555 0.1807 ( 751 PWs) bands (ev): -5.0951 -5.0951 -3.5136 -3.5021 -3.1274 -3.1274 -3.0722 -3.0722 -2.8446 -2.8314 -1.8898 -1.8898 3.1522 3.1522 9.1334 9.1334 9.1566 9.1607 14.9357 14.9357 18.9728 18.9728 20.6133 20.6133 20.7410 20.7417 k = 0.4508 0.2603 0.1840 ( 751 PWs) bands (ev): -5.0902 -5.0902 -3.5127 -3.5028 -3.1247 -3.1247 -3.0726 -3.0726 -2.8425 -2.8311 -1.8548 -1.8548 3.0862 3.0862 9.1259 9.1259 9.1496 9.1531 14.9394 14.9394 18.9774 18.9774 20.6028 20.6028 20.7296 20.7303 k = 0.4590 0.2650 0.1874 ( 748 PWs) bands (ev): -5.0860 -5.0860 -3.5118 -3.5036 -3.1224 -3.1224 -3.0730 -3.0730 -2.8405 -2.8310 -1.8241 -1.8241 3.0294 3.0294 9.1196 9.1196 9.1436 9.1466 14.9424 14.9424 18.9815 18.9815 20.5937 20.5937 20.7200 20.7205 k = 0.4672 0.2697 0.1907 ( 748 PWs) bands (ev): -5.0826 -5.0826 -3.5109 -3.5043 -3.1206 -3.1206 -3.0733 -3.0733 -2.8387 -2.8311 -1.7983 -1.7983 2.9822 2.9822 9.1144 9.1144 9.1388 9.1412 14.9447 14.9447 18.9849 18.9849 20.5862 20.5862 20.7120 20.7124 k = 0.4754 0.2745 0.1941 ( 754 PWs) bands (ev): -5.0800 -5.0800 -3.5101 -3.5051 -3.1191 -3.1191 -3.0737 -3.0737 -2.8372 -2.8315 -1.7778 -1.7778 2.9450 2.9450 9.1103 9.1103 9.1350 9.1368 14.9465 14.9465 18.9874 18.9874 20.5803 20.5803 20.7056 20.7060 k = 0.4836 0.2792 0.1974 ( 754 PWs) bands (ev): -5.0782 -5.0782 -3.5092 -3.5059 -3.1181 -3.1181 -3.0739 -3.0739 -2.8358 -2.8319 -1.7628 -1.7628 2.9181 2.9181 9.1074 9.1074 9.1324 9.1336 14.9477 14.9477 18.9893 18.9893 20.5760 20.5760 20.7012 20.7014 k = 0.4918 0.2839 0.2008 ( 754 PWs) bands (ev): -5.0771 -5.0771 -3.5084 -3.5067 -3.1175 -3.1175 -3.0740 -3.0740 -2.8345 -2.8326 -1.7537 -1.7537 2.9019 2.9019 9.1056 9.1056 9.1310 9.1316 14.9484 14.9484 18.9905 18.9905 20.5735 20.5735 20.6985 20.6986 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -5.0767 -5.0767 -3.5075 -3.5075 -3.1173 -3.1173 -3.0740 -3.0740 -2.8335 -2.8335 -1.7507 -1.7507 2.8965 2.8965 9.1050 9.1050 9.1307 9.1307 14.9487 14.9487 18.9909 18.9909 20.5726 20.5726 20.6976 20.6976 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -5.0767 -5.0767 -3.5075 -3.5075 -3.1173 -3.1173 -3.0740 -3.0740 -2.8335 -2.8335 -1.7507 -1.7507 2.8965 2.8965 9.1050 9.1050 9.1307 9.1307 14.9487 14.9487 18.9909 18.9909 20.5726 20.5726 20.6976 20.6976 k = 0.5028 0.2805 0.2088 ( 754 PWs) bands (ev): -5.0778 -5.0751 -3.5074 -3.5074 -3.1216 -3.1134 -3.0746 -3.0730 -2.8335 -2.8335 -1.7535 -1.7467 2.8974 2.8978 9.1006 9.1026 9.1276 9.1278 14.9529 14.9546 18.9825 18.9875 20.5717 20.5768 20.6989 20.6990 k = 0.5057 0.2723 0.2134 ( 754 PWs) bands (ev): -5.0785 -5.0731 -3.5072 -3.5071 -3.1263 -3.1101 -3.0748 -3.0716 -2.8338 -2.8338 -1.7553 -1.7418 2.9004 2.9012 9.0874 9.0921 9.1196 9.1206 14.9673 14.9706 18.9625 18.9723 20.5738 20.5839 20.7029 20.7032 k = 0.5085 0.2641 0.2180 ( 752 PWs) bands (ev): -5.0786 -5.0706 -3.5067 -3.5066 -3.1313 -3.1072 -3.0747 -3.0697 -2.8342 -2.8341 -1.7559 -1.7357 2.9055 2.9069 9.0631 9.0704 9.1101 9.1120 14.9915 14.9964 18.9314 18.9458 20.5784 20.5938 20.7097 20.7108 k = 0.5114 0.2559 0.2227 ( 746 PWs) bands (ev): -5.0783 -5.0677 -3.5059 -3.5058 -3.1366 -3.1047 -3.0743 -3.0673 -2.8347 -2.8345 -1.7554 -1.7287 2.9128 2.9146 9.0279 9.0373 9.0999 9.1021 15.0254 15.0318 18.8900 18.9085 20.5849 20.6057 20.7197 20.7221 k = 0.5142 0.2477 0.2273 ( 744 PWs) bands (ev): -5.0776 -5.0644 -3.5051 -3.5048 -3.1421 -3.1028 -3.0737 -3.0645 -2.8355 -2.8351 -1.7538 -1.7206 2.9223 2.9245 8.9823 8.9936 9.0880 9.0904 15.0683 15.0762 18.8391 18.8612 20.5923 20.6183 20.7336 20.7376 k = 0.5170 0.2395 0.2320 ( 743 PWs) bands (ev): -5.0765 -5.0606 -3.5042 -3.5037 -3.1479 -3.1012 -3.0730 -3.0614 -2.8364 -2.8357 -1.7510 -1.7116 2.9339 2.9366 8.9273 8.9404 9.0742 9.0768 15.1198 15.1290 18.7798 18.8049 20.5998 20.6304 20.7525 20.7581 k = 0.5199 0.2313 0.2366 ( 743 PWs) bands (ev): -5.0749 -5.0564 -3.5031 -3.5023 -3.1539 -3.0999 -3.0721 -3.0581 -2.8375 -2.8364 -1.7471 -1.7017 2.9476 2.9507 8.8637 8.8785 9.0582 9.0611 15.1791 15.1895 18.7130 18.7406 20.6067 20.6409 20.7772 20.7838 k = 0.5227 0.2231 0.2412 ( 745 PWs) bands (ev): -5.0730 -5.0519 -3.5018 -3.5007 -3.1599 -3.0988 -3.0711 -3.0547 -2.8389 -2.8372 -1.7421 -1.6908 2.9634 2.9669 8.7921 8.8086 9.0402 9.0433 15.2455 15.2571 18.6400 18.6696 20.6124 20.6492 20.8078 20.8149 k = 0.5256 0.2149 0.2459 ( 747 PWs) bands (ev): -5.0706 -5.0470 -3.5005 -3.4989 -3.1661 -3.0978 -3.0700 -3.0512 -2.8404 -2.8381 -1.7359 -1.6791 2.9812 2.9853 8.7133 8.7313 9.0201 9.0234 15.3183 15.3308 18.5618 18.5929 20.6168 20.6552 20.8443 20.8514 k = 0.5284 0.2067 0.2505 ( 747 PWs) bands (ev): -5.0679 -5.0418 -3.4990 -3.4968 -3.1724 -3.0969 -3.0688 -3.0476 -2.8421 -2.8390 -1.7286 -1.6666 3.0011 3.0057 8.6279 8.6473 8.9981 9.0016 15.3965 15.4099 18.4796 18.5118 20.6198 20.6592 20.8863 20.8931 k = 0.5312 0.1985 0.2552 ( 747 PWs) bands (ev): -5.0648 -5.0362 -3.4974 -3.4945 -3.1787 -3.0960 -3.0675 -3.0440 -2.8440 -2.8399 -1.7202 -1.6532 3.0231 3.0281 8.5365 8.5573 8.9742 8.9779 15.4793 15.4934 18.3945 18.4274 20.6215 20.6614 20.9332 20.9395 k = 0.5341 0.1903 0.2598 ( 746 PWs) bands (ev): -5.0614 -5.0304 -3.4957 -3.4920 -3.1850 -3.0950 -3.0660 -3.0404 -2.8459 -2.8408 -1.7108 -1.6390 3.0471 3.0526 8.4400 8.4620 8.9484 8.9523 15.5656 15.5803 18.3076 18.3409 20.6223 20.6624 20.9847 20.9905 k = 0.5369 0.1821 0.2644 ( 746 PWs) bands (ev): -5.0577 -5.0243 -3.4940 -3.4892 -3.1914 -3.0939 -3.0645 -3.0369 -2.8481 -2.8417 -1.7002 -1.6241 3.0730 3.0790 8.3386 8.3619 8.9209 8.9251 15.6544 15.6695 18.2200 18.2534 20.6219 20.6620 21.0402 21.0456 k = 0.5398 0.1739 0.2691 ( 744 PWs) bands (ev): -5.0537 -5.0179 -3.4921 -3.4861 -3.1977 -3.0928 -3.0630 -3.0333 -2.8503 -2.8425 -1.6887 -1.6085 3.1009 3.1074 8.2331 8.2575 8.8920 8.8963 15.7446 15.7599 18.1330 18.1662 20.6207 20.6608 21.0996 21.1046 k = 0.5426 0.1657 0.2737 ( 742 PWs) bands (ev): -5.0495 -5.0114 -3.4902 -3.4828 -3.2040 -3.0916 -3.0613 -3.0298 -2.8527 -2.8433 -1.6761 -1.5922 3.1307 3.1377 8.1240 8.1495 8.8615 8.8660 15.8347 15.8501 18.0478 18.0804 20.6189 20.6589 21.1627 21.1673 k = 0.5455 0.1575 0.2784 ( 743 PWs) bands (ev): -5.0451 -5.0048 -3.4883 -3.4793 -3.2103 -3.0903 -3.0597 -3.0264 -2.8552 -2.8441 -1.6625 -1.5752 3.1624 3.1699 8.0120 8.0385 8.8296 8.8343 15.9234 15.9385 17.9657 17.9976 20.6167 20.6565 21.2288 21.2330 k = 0.5483 0.1493 0.2830 ( 743 PWs) bands (ev): -5.0404 -4.9980 -3.4863 -3.4756 -3.2165 -3.0890 -3.0580 -3.0230 -2.8578 -2.8449 -1.6480 -1.5577 3.1959 3.2038 7.8974 7.9248 8.7965 8.8014 16.0088 16.0234 17.8886 17.9194 20.6143 20.6540 21.2978 21.3018 k = 0.5511 0.1411 0.2876 ( 743 PWs) bands (ev): -5.0356 -4.9911 -3.4844 -3.4716 -3.2227 -3.0875 -3.0563 -3.0197 -2.8605 -2.8455 -1.6326 -1.5395 3.2311 3.2395 7.7808 7.8091 8.7623 8.7673 16.0888 16.1027 17.8183 17.8477 20.6121 20.6517 21.3694 21.3732 k = 0.5540 0.1329 0.2923 ( 743 PWs) bands (ev): -5.0306 -4.9841 -3.4824 -3.4674 -3.2288 -3.0858 -3.0546 -3.0165 -2.8632 -2.8461 -1.6164 -1.5209 3.2680 3.2769 7.6627 7.6919 8.7271 8.7323 16.1611 16.1737 17.7571 17.7846 20.6102 20.6497 21.4434 21.4469 k = 0.5568 0.1247 0.2969 ( 743 PWs) bands (ev): -5.0256 -4.9771 -3.4804 -3.4629 -3.2348 -3.0841 -3.0528 -3.0133 -2.8659 -2.8466 -1.5994 -1.5017 3.3065 3.3159 7.5434 7.5734 8.6910 8.6964 16.2229 16.2337 17.7075 17.7328 20.6090 20.6484 21.5195 21.5228 k = 0.5597 0.1165 0.3015 ( 741 PWs) bands (ev): -5.0204 -4.9701 -3.4785 -3.4582 -3.2407 -3.0822 -3.0510 -3.0101 -2.8687 -2.8471 -1.5816 -1.4821 3.3466 3.3565 7.4236 7.4544 8.6543 8.6597 16.2714 16.2800 17.6721 17.6946 20.6089 20.6482 21.5973 21.6004 k = 0.5625 0.1083 0.3062 ( 745 PWs) bands (ev): -5.0152 -4.9632 -3.4766 -3.4534 -3.2466 -3.0803 -3.0493 -3.0070 -2.8715 -2.8474 -1.5631 -1.4621 3.3880 3.3984 7.3034 7.3350 8.6168 8.6224 16.3040 16.3098 17.6529 17.6723 20.6100 20.6493 21.6765 21.6794 k = 0.5653 0.1001 0.3108 ( 739 PWs) bands (ev): -5.0099 -4.9563 -3.4747 -3.4483 -3.2523 -3.0781 -3.0474 -3.0039 -2.8742 -2.8476 -1.5440 -1.4418 3.4309 3.4417 7.1836 7.2159 8.5790 8.5847 16.3191 16.3219 17.6510 17.6670 20.6130 20.6523 21.7570 21.7598 k = 0.5682 0.0919 0.3155 ( 741 PWs) bands (ev): -5.0047 -4.9495 -3.4729 -3.4430 -3.2579 -3.0760 -3.0457 -3.0009 -2.8770 -2.8477 -1.5243 -1.4211 3.4749 3.4862 7.0643 7.0973 8.5407 8.5465 16.3162 16.3164 17.6658 17.6785 20.6179 20.6574 21.8382 21.8408 k = 0.5710 0.0837 0.3201 ( 741 PWs) bands (ev): -4.9995 -4.9429 -3.4711 -3.4375 -3.2634 -3.0737 -3.0439 -2.9979 -2.8797 -2.8477 -1.5042 -1.4003 3.5200 3.5316 6.9460 6.9797 8.5022 8.5081 16.2944 16.2972 17.6952 17.7049 20.6254 20.6649 21.9200 21.9223 k = 0.5739 0.0754 0.3247 ( 737 PWs) bands (ev): -4.9943 -4.9364 -3.4694 -3.4318 -3.2687 -3.0712 -3.0422 -2.9948 -2.8823 -2.8476 -1.4837 -1.3793 3.5660 3.5780 6.8293 6.8637 8.4637 8.4697 16.2591 16.2641 17.7362 17.7434 20.6358 20.6755 22.0021 22.0042 k = 0.5767 0.0672 0.3294 ( 737 PWs) bands (ev): -4.9892 -4.9301 -3.4678 -3.4260 -3.2740 -3.0688 -3.0405 -2.9919 -2.8848 -2.8474 -1.4629 -1.3583 3.6127 3.6250 6.7146 6.7497 8.4251 8.4311 16.2130 16.2198 17.7852 17.7905 20.6496 20.6894 22.0839 22.0859 k = 0.5795 0.0590 0.3340 ( 737 PWs) bands (ev): -4.9842 -4.9240 -3.4663 -3.4201 -3.2791 -3.0663 -3.0388 -2.9890 -2.8873 -2.8471 -1.4419 -1.3373 3.6599 3.6725 6.6023 6.6381 8.3866 8.3927 16.1590 16.1669 17.8388 17.8428 20.6671 20.7070 22.1653 22.1671 k = 0.5824 0.0508 0.3387 ( 735 PWs) bands (ev): -4.9793 -4.9182 -3.4649 -3.4140 -3.2840 -3.0637 -3.0371 -2.9861 -2.8897 -2.8466 -1.4208 -1.3163 3.7073 3.7201 6.4930 6.5296 8.3484 8.3545 16.0994 16.1081 17.8945 17.8975 20.6887 20.7288 22.2461 22.2476 k = 0.5852 0.0426 0.3433 ( 735 PWs) bands (ev): -4.9745 -4.9126 -3.4635 -3.4078 -3.2888 -3.0612 -3.0355 -2.9832 -2.8920 -2.8461 -1.3998 -1.2957 3.7546 3.7676 6.3873 6.4246 8.3105 8.3166 16.0358 16.0450 17.9496 17.9520 20.7146 20.7548 22.3257 22.3269 k = 0.5881 0.0344 0.3479 ( 739 PWs) bands (ev): -4.9700 -4.9073 -3.4624 -3.4017 -3.2935 -3.0587 -3.0341 -2.9804 -2.8943 -2.8454 -1.3789 -1.2753 3.8014 3.8145 6.2856 6.3237 8.2730 8.2791 15.9699 15.9791 18.0024 18.0045 20.7449 20.7852 22.4040 22.4049 k = 0.5909 0.0262 0.3526 ( 735 PWs) bands (ev): -4.9655 -4.9022 -3.4612 -3.3953 -3.2980 -3.0561 -3.0325 -2.9776 -2.8963 -2.8447 -1.3584 -1.2555 3.8474 3.8605 6.1889 6.2278 8.2361 8.2422 15.9026 15.9118 18.0516 18.0536 20.7801 20.8204 22.4809 22.4815 k = 0.5938 0.0180 0.3572 ( 731 PWs) bands (ev): -4.9612 -4.8974 -3.4602 -3.3890 -3.3023 -3.0536 -3.0310 -2.9747 -2.8982 -2.8438 -1.3383 -1.2362 3.8921 3.9051 6.0978 6.1375 8.1998 8.2060 15.8349 15.8438 18.0959 18.0979 20.8197 20.8598 22.5557 22.5560 k = 0.5966 0.0098 0.3619 ( 731 PWs) bands (ev): -4.9572 -4.8930 -3.4592 -3.3828 -3.3064 -3.0513 -3.0297 -2.9719 -2.9001 -2.8428 -1.3189 -1.2176 3.9349 3.9477 6.0130 6.0536 8.1642 8.1704 15.7673 15.7758 18.1344 18.1365 20.8636 20.9034 22.6282 22.6283 k = 0.5994 0.0016 0.3665 ( 733 PWs) bands (ev): -4.9534 -4.8890 -3.4584 -3.3767 -3.3103 -3.0490 -3.0284 -2.9691 -2.9018 -2.8419 -1.3003 -1.2000 3.9752 3.9877 5.9355 5.9770 8.1294 8.1356 15.7003 15.7083 18.1669 18.1690 20.9112 20.9507 22.6980 22.6986 k = 0.6023-0.0066 0.3711 ( 734 PWs) bands (ev): -4.9498 -4.8852 -3.4577 -3.3709 -3.3138 -3.0469 -3.0271 -2.9663 -2.9034 -2.8408 -1.2826 -1.1835 4.0122 4.0244 5.8661 5.9086 8.0956 8.1017 15.6342 15.6417 18.1930 18.1953 20.9621 21.0010 22.7651 22.7662 k = 0.6051-0.0148 0.3758 ( 733 PWs) bands (ev): -4.9464 -4.8818 -3.4571 -3.3653 -3.3169 -3.0450 -3.0259 -2.9635 -2.9048 -2.8397 -1.2662 -1.1681 4.0455 4.0572 5.8059 5.8493 8.0627 8.0688 15.5695 15.5763 18.2128 18.2151 21.0153 21.0535 22.8293 22.8310 k = 0.6080-0.0230 0.3804 ( 733 PWs) bands (ev): -4.9432 -4.8787 -3.4566 -3.3602 -3.3195 -3.0432 -3.0248 -2.9607 -2.9062 -2.8386 -1.2511 -1.1543 4.0741 4.0853 5.7557 5.8001 8.0309 8.0369 15.5063 15.5123 18.2262 18.2286 21.0700 21.1073 22.8906 22.8929 k = 0.6108-0.0312 0.3851 ( 733 PWs) bands (ev): -4.9403 -4.8760 -3.4561 -3.3560 -3.3211 -3.0417 -3.0238 -2.9578 -2.9074 -2.8374 -1.2376 -1.1420 4.0977 4.1083 5.7163 5.7617 8.0003 8.0062 15.4448 15.4501 18.2337 18.2361 21.1249 21.1612 22.9486 22.9516 k = 0.6136-0.0394 0.3897 ( 733 PWs) bands (ev): -4.9377 -4.8737 -3.4558 -3.3531 -3.3215 -3.0404 -3.0228 -2.9550 -2.9085 -2.8362 -1.2259 -1.1316 4.1157 4.1258 5.6885 5.7348 7.9709 7.9768 15.3851 15.3896 18.2354 18.2378 21.1791 21.2143 23.0033 23.0072 k = 0.6165-0.0476 0.3943 ( 735 PWs) bands (ev): -4.9353 -4.8717 -3.4555 -3.3517 -3.3203 -3.0393 -3.0219 -2.9521 -2.9096 -2.8351 -1.2163 -1.1232 4.1282 4.1377 5.6724 5.7196 7.9427 7.9485 15.3274 15.3310 18.2319 18.2342 21.2311 21.2652 23.0546 23.0594 k = 0.6193-0.0558 0.3990 ( 737 PWs) bands (ev): -4.9333 -4.8701 -3.4554 -3.3519 -3.3176 -3.0384 -3.0210 -2.9493 -2.9106 -2.8339 -1.2088 -1.1170 4.1352 4.1442 5.6682 5.7160 7.9160 7.9217 15.2717 15.2744 18.2234 18.2256 21.2799 21.3127 23.1025 23.1082 k = 0.6222-0.0640 0.4036 ( 740 PWs) bands (ev): -4.9315 -4.8689 -3.4552 -3.3532 -3.3139 -3.0378 -3.0202 -2.9465 -2.9115 -2.8328 -1.2039 -1.1132 4.1375 4.1460 5.6754 5.7238 7.8907 7.8963 15.2181 15.2199 18.2105 18.2125 21.3242 21.3559 23.1469 23.1536 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.6200-0.0693 0.4164 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4550 -3.3552 -3.3097 -3.0375 -3.0193 -2.9438 -2.9122 -2.8318 -1.2011 -1.1116 4.1364 4.1445 5.6944 5.7433 7.8614 7.8682 15.1713 15.1735 18.1948 18.1968 21.3608 21.3914 23.1561 23.1842 k = 0.6150-0.0664 0.4246 ( 736 PWs) bands (ev): -4.9297 -4.8675 -3.4546 -3.3553 -3.3103 -3.0377 -3.0189 -2.9438 -2.9120 -2.8320 -1.1999 -1.1104 4.1381 4.1462 5.6975 5.7464 7.8458 7.8553 15.1862 15.1902 18.1984 18.2004 21.3539 21.3849 23.0876 23.1359 k = 0.6100-0.0635 0.4327 ( 736 PWs) bands (ev): -4.9296 -4.8672 -3.4540 -3.3554 -3.3112 -3.0381 -3.0183 -2.9438 -2.9117 -2.8324 -1.1978 -1.1085 4.1409 4.1489 5.7026 5.7515 7.8204 7.8333 15.2112 15.2169 18.2043 18.2064 21.3422 21.3739 22.9973 23.0592 k = 0.6050-0.0606 0.4409 ( 736 PWs) bands (ev): -4.9294 -4.8667 -3.4531 -3.3556 -3.3125 -3.0385 -3.0176 -2.9439 -2.9112 -2.8329 -1.1950 -1.1057 4.1447 4.1526 5.7098 5.7587 7.7860 7.8023 15.2458 15.2531 18.2126 18.2149 21.3259 21.3586 22.8949 22.9653 k = 0.6000-0.0577 0.4491 ( 736 PWs) bands (ev): -4.9292 -4.8660 -3.4521 -3.3559 -3.3142 -3.0390 -3.0168 -2.9439 -2.9106 -2.8336 -1.1915 -1.1022 4.1495 4.1575 5.7189 5.7680 7.7431 7.7628 15.2895 15.2983 18.2234 18.2258 21.3049 21.3390 22.7864 22.8620 k = 0.5950-0.0548 0.4572 ( 736 PWs) bands (ev): -4.9289 -4.8652 -3.4507 -3.3562 -3.3161 -3.0394 -3.0159 -2.9440 -2.9099 -2.8344 -1.1872 -1.0980 4.1554 4.1633 5.7301 5.7793 7.6924 7.7154 15.3416 15.3516 18.2367 18.2393 21.2791 21.3150 22.6754 22.7540 k = 0.5900-0.0520 0.4654 ( 733 PWs) bands (ev): -4.9285 -4.8643 -3.4492 -3.3566 -3.3184 -3.0398 -3.0150 -2.9439 -2.9091 -2.8353 -1.1823 -1.0931 4.1622 4.1700 5.7433 5.7926 7.6347 7.6608 15.4011 15.4121 18.2527 18.2554 21.2485 21.2867 22.5642 22.6444 k = 0.5850-0.0491 0.4736 ( 735 PWs) bands (ev): -4.9282 -4.8634 -3.4474 -3.3570 -3.3209 -3.0401 -3.0142 -2.9439 -2.9081 -2.8363 -1.1767 -1.0877 4.1700 4.1776 5.7585 5.8078 7.5704 7.5995 15.4669 15.4785 18.2713 18.2742 21.2132 21.2543 22.4545 22.5350 k = 0.5800-0.0462 0.4817 ( 735 PWs) bands (ev): -4.9278 -4.8624 -3.4454 -3.3575 -3.3237 -3.0403 -3.0134 -2.9439 -2.9071 -2.8374 -1.1706 -1.0816 4.1785 4.1861 5.7757 5.8251 7.5005 7.5325 15.5379 15.5499 18.2927 18.2958 21.1732 21.2178 22.3476 22.4272 k = 0.5750-0.0433 0.4899 ( 733 PWs) bands (ev): -4.9273 -4.8612 -3.4432 -3.3581 -3.3267 -3.0404 -3.0128 -2.9438 -2.9060 -2.8387 -1.1639 -1.0751 4.1878 4.1953 5.7948 5.8444 7.4260 7.4606 15.6129 15.6250 18.3170 18.3202 21.1288 21.1776 22.2443 22.3223 k = 0.5700-0.0404 0.4981 ( 737 PWs) bands (ev): -4.9269 -4.8600 -3.4408 -3.3587 -3.3299 -3.0405 -3.0124 -2.9437 -2.9049 -2.8401 -1.1568 -1.0682 4.1978 4.2051 5.8158 5.8655 7.3474 7.3844 15.6905 15.7024 18.3440 18.3475 21.0803 21.1340 22.1452 22.2208 k = 0.5650-0.0375 0.5062 ( 737 PWs) bands (ev): -4.9264 -4.8588 -3.4382 -3.3594 -3.3332 -3.0403 -3.0122 -2.9436 -2.9036 -2.8415 -1.1494 -1.0609 4.2083 4.2154 5.8387 5.8886 7.2658 7.3051 15.7695 15.7809 18.3740 18.3776 21.0283 21.0876 22.0511 22.1235 k = 0.5600-0.0346 0.5144 ( 737 PWs) bands (ev): -4.9259 -4.8576 -3.4354 -3.3601 -3.3366 -3.0400 -3.0121 -2.9433 -2.9023 -2.8429 -1.1418 -1.0533 4.2192 4.2262 5.8635 5.9136 7.1820 7.2233 15.8486 15.8592 18.4067 18.4105 20.9735 21.0390 21.9621 22.0308 k = 0.5550-0.0318 0.5226 ( 739 PWs) bands (ev): -4.9254 -4.8564 -3.4324 -3.3609 -3.3401 -3.0396 -3.0122 -2.9431 -2.9010 -2.8444 -1.1339 -1.0456 4.2304 4.2372 5.8902 5.9404 7.0967 7.1399 15.9262 15.9359 18.4419 18.4460 20.9168 20.9891 21.8784 21.9429 k = 0.5500-0.0289 0.5307 ( 736 PWs) bands (ev): -4.9249 -4.8552 -3.4293 -3.3617 -3.3436 -3.0390 -3.0125 -2.9428 -2.8996 -2.8459 -1.1261 -1.0379 4.2418 4.2484 5.9187 5.9691 7.0110 7.0559 16.0013 16.0098 18.4793 18.4837 20.8596 20.9390 21.8002 21.8603 k = 0.5450-0.0260 0.5389 ( 738 PWs) bands (ev): -4.9244 -4.8540 -3.4260 -3.3626 -3.3472 -3.0383 -3.0130 -2.9425 -2.8982 -2.8474 -1.1183 -1.0302 4.2530 4.2594 5.9489 5.9995 6.9255 6.9720 16.0723 16.0798 18.5183 18.5231 20.8031 20.8900 21.7271 21.7826 k = 0.5400-0.0231 0.5471 ( 734 PWs) bands (ev): -4.9238 -4.8528 -3.4226 -3.3636 -3.3506 -3.0374 -3.0136 -2.9421 -2.8969 -2.8489 -1.1107 -1.0227 4.2641 4.2702 5.9809 6.0317 6.8413 6.8891 16.1384 16.1447 18.5582 18.5636 20.7489 20.8434 21.6594 21.7103 k = 0.5350-0.0202 0.5552 ( 733 PWs) bands (ev): -4.9233 -4.8518 -3.4192 -3.3647 -3.3538 -3.0364 -3.0144 -2.9418 -2.8955 -2.8503 -1.1034 -1.0156 4.2746 4.2806 6.0146 6.0655 6.7589 6.8079 16.1984 16.2039 18.5979 18.6039 20.6986 20.8008 21.5970 21.6433 k = 0.5300-0.0173 0.5634 ( 733 PWs) bands (ev): -4.9229 -4.8508 -3.4158 -3.3660 -3.3569 -3.0353 -3.0154 -2.9415 -2.8943 -2.8517 -1.0965 -1.0088 4.2845 4.2902 6.0499 6.1009 6.6793 6.7293 16.2513 16.2563 18.6363 18.6430 20.6537 20.7634 21.5401 21.5819 k = 0.5250-0.0144 0.5715 ( 734 PWs) bands (ev): -4.9225 -4.8500 -3.4124 -3.3674 -3.3595 -3.0342 -3.0164 -2.9412 -2.8931 -2.8529 -1.0903 -1.0027 4.2934 4.2989 6.0868 6.1379 6.6032 6.6541 16.2963 16.3014 18.6718 18.6794 20.6157 20.7325 21.4888 21.5264 k = 0.5200-0.0115 0.5797 ( 734 PWs) bands (ev): -4.9222 -4.8493 -3.4092 -3.3690 -3.3617 -3.0330 -3.0175 -2.9410 -2.8921 -2.8540 -1.0849 -0.9974 4.3011 4.3065 6.1251 6.1762 6.5315 6.5831 16.3333 16.3388 18.7032 18.7117 20.5855 20.7090 21.4441 21.4775 k = 0.5150-0.0087 0.5879 ( 734 PWs) bands (ev): -4.9219 -4.8487 -3.4063 -3.3706 -3.3635 -3.0319 -3.0185 -2.9409 -2.8912 -2.8549 -1.0803 -0.9929 4.3074 4.3126 6.1647 6.2156 6.4652 6.5171 16.3620 16.3681 18.7290 18.7382 20.5637 20.6931 21.4066 21.4364 k = 0.5100-0.0058 0.5960 ( 734 PWs) bands (ev): -4.9217 -4.8482 -3.4039 -3.3720 -3.3648 -3.0308 -3.0195 -2.9407 -2.8905 -2.8556 -1.0769 -0.9895 4.3121 4.3172 6.2053 6.2553 6.4054 6.4572 16.3824 16.3889 18.7481 18.7580 20.5501 20.6842 21.3778 21.4044 k = 0.5050-0.0029 0.6042 ( 744 PWs) bands (ev): -4.9217 -4.8481 -3.4025 -3.3730 -3.3658 -3.0302 -3.0203 -2.9408 -2.8902 -2.8561 -1.0747 -0.9874 4.3150 4.3199 6.2457 6.2907 6.3569 6.4054 16.3940 16.4009 18.7595 18.7698 20.5434 20.6806 21.3586 21.3832 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -4.9216 -4.8480 -3.4020 -3.3732 -3.3662 -3.0300 -3.0206 -2.9408 -2.8901 -2.8563 -1.0739 -0.9866 4.3160 4.3209 6.2744 6.2963 6.3444 6.3753 16.3980 16.4050 18.7634 18.7738 20.5417 20.6801 21.3520 21.3757 k = 0.5000 0.0000 0.6124 ( 744 PWs) bands (ev): -4.9216 -4.8480 -3.4020 -3.3732 -3.3662 -3.0300 -3.0206 -2.9408 -2.8901 -2.8563 -1.0739 -0.9866 4.3160 4.3209 6.2744 6.2963 6.3444 6.3753 16.3980 16.4050 18.7634 18.7738 20.5417 20.6801 21.3520 21.3757 k = 0.5000 0.0058 0.6042 ( 742 PWs) bands (ev): -4.9217 -4.8481 -3.4022 -3.3739 -3.3653 -3.0299 -3.0206 -2.9409 -2.8900 -2.8563 -1.0750 -0.9875 4.3152 4.3202 6.2300 6.2778 6.3704 6.4212 16.3990 16.4060 18.7602 18.7704 20.5339 20.6704 21.3637 21.3891 k = 0.5000 0.0115 0.5960 ( 734 PWs) bands (ev): -4.9220 -4.8484 -3.4027 -3.3754 -3.3631 -3.0299 -3.0208 -2.9415 -2.8896 -2.8564 -1.0780 -0.9903 4.3130 4.3182 6.1758 6.2262 6.4358 6.4886 16.4022 16.4094 18.7505 18.7603 20.5120 20.6437 21.3970 21.4270 k = 0.5000 0.0173 0.5879 ( 734 PWs) bands (ev): -4.9227 -4.8492 -3.4037 -3.3773 -3.3606 -3.0300 -3.0211 -2.9425 -2.8892 -2.8566 -1.0830 -0.9950 4.3089 4.3144 6.1260 6.1768 6.5078 6.5610 16.4069 16.4145 18.7342 18.7430 20.4800 20.6052 21.4476 21.4831 k = 0.5000 0.0231 0.5797 ( 734 PWs) bands (ev): -4.9236 -4.8502 -3.4051 -3.3792 -3.3578 -3.0302 -3.0216 -2.9439 -2.8887 -2.8570 -1.0900 -1.0015 4.3028 4.3088 6.0825 6.1330 6.5833 6.6366 16.4137 16.4217 18.7111 18.7186 20.4421 20.5607 21.5112 21.5520 k = 0.5000 0.0289 0.5715 ( 734 PWs) bands (ev): -4.9248 -4.8515 -3.4067 -3.3812 -3.3548 -3.0304 -3.0222 -2.9456 -2.8880 -2.8574 -1.0989 -1.0098 4.2943 4.3008 6.0460 6.0961 6.6614 6.7148 16.4224 16.4309 18.6811 18.6871 20.4024 20.5146 21.5836 21.6291 k = 0.5000 0.0346 0.5634 ( 734 PWs) bands (ev): -4.9262 -4.8532 -3.4087 -3.3833 -3.3516 -3.0308 -3.0229 -2.9476 -2.8872 -2.8579 -1.1095 -1.0197 4.2830 4.2901 6.0175 6.0670 6.7416 6.7950 16.4333 16.4423 18.6442 18.6484 20.3637 20.4698 21.6615 21.7109 k = 0.5000 0.0404 0.5552 ( 734 PWs) bands (ev): -4.9279 -4.8551 -3.4108 -3.3854 -3.3482 -3.0312 -3.0238 -2.9498 -2.8863 -2.8585 -1.1219 -1.0313 4.2684 4.2762 5.9975 6.0464 6.8235 6.8768 16.4462 16.4559 18.6002 18.6025 20.3280 20.4285 21.7421 21.7947 k = 0.5000 0.0462 0.5471 ( 734 PWs) bands (ev): -4.9299 -4.8573 -3.4131 -3.3876 -3.3448 -3.0318 -3.0247 -2.9523 -2.8853 -2.8591 -1.1359 -1.0443 4.2503 4.2587 5.9865 6.0347 6.9067 6.9598 16.4615 16.4719 18.5487 18.5502 20.2966 20.3919 21.8233 21.8784 k = 0.5000 0.0520 0.5389 ( 736 PWs) bands (ev): -4.9321 -4.8599 -3.4156 -3.3899 -3.3412 -3.0325 -3.0257 -2.9549 -2.8844 -2.8598 -1.1513 -1.0588 4.2283 4.2374 5.9850 6.0324 6.9908 7.0438 16.4790 16.4902 18.4890 18.4924 20.2703 20.3606 21.9030 21.9602 k = 0.5000 0.0577 0.5307 ( 734 PWs) bands (ev): -4.9346 -4.8627 -3.4182 -3.3924 -3.3374 -3.0335 -3.0267 -2.9575 -2.8833 -2.8605 -1.1681 -1.0745 4.2024 4.2122 5.9931 6.0397 7.0756 7.1283 16.4990 16.5109 18.4229 18.4285 20.2494 20.3352 21.9796 22.0383 k = 0.5000 0.0635 0.5226 ( 736 PWs) bands (ev): -4.9373 -4.8658 -3.4209 -3.3950 -3.3335 -3.0348 -3.0278 -2.9602 -2.8823 -2.8613 -1.1861 -1.0915 4.1726 4.1831 6.0107 6.0564 7.1607 7.2132 16.5215 16.5343 18.3506 18.3586 20.2338 20.3154 22.0511 22.1109 k = 0.5000 0.0693 0.5144 ( 734 PWs) bands (ev): -4.9403 -4.8693 -3.4236 -3.3977 -3.3295 -3.0362 -3.0287 -2.9630 -2.8812 -2.8620 -1.2053 -1.1094 4.1390 4.1502 6.0377 6.0827 7.2460 7.2981 16.5467 16.5603 18.2730 18.2833 20.2236 20.3012 22.1164 22.1768 k = 0.5000 0.0751 0.5062 ( 734 PWs) bands (ev): -4.9435 -4.8730 -3.4264 -3.4006 -3.3254 -3.0380 -3.0297 -2.9657 -2.8801 -2.8627 -1.2253 -1.1284 4.1021 4.1138 6.0737 6.1179 7.3311 7.3828 16.5746 16.5891 18.1905 18.2029 20.2182 20.2923 22.1737 22.2342 k = 0.5000 0.0808 0.4981 ( 736 PWs) bands (ev): -4.9470 -4.8771 -3.4293 -3.4037 -3.3212 -3.0401 -3.0307 -2.9685 -2.8791 -2.8633 -1.2462 -1.1481 4.0621 4.0743 6.1182 6.1617 7.4158 7.4670 16.6052 16.6206 18.1037 18.1181 20.2172 20.2882 22.2217 22.2818 k = 0.5000 0.0866 0.4899 ( 736 PWs) bands (ev): -4.9506 -4.8814 -3.4322 -3.4069 -3.3168 -3.0424 -3.0317 -2.9712 -2.8781 -2.8637 -1.2677 -1.1686 4.0195 4.0320 6.1708 6.2137 7.5000 7.5507 16.6388 16.6552 18.0133 18.0294 20.2203 20.2884 22.2591 22.3182 k = 0.5000 0.0924 0.4817 ( 734 PWs) bands (ev): -4.9545 -4.8860 -3.4352 -3.4103 -3.3123 -3.0449 -3.0326 -2.9739 -2.8771 -2.8641 -1.2898 -1.1896 3.9748 3.9876 6.2309 6.2732 7.5834 7.6335 16.6754 16.6927 17.9197 17.9374 20.2270 20.2925 22.2850 22.3425 k = 0.5000 0.0981 0.4736 ( 734 PWs) bands (ev): -4.9586 -4.8909 -3.4381 -3.4138 -3.3077 -3.0476 -3.0337 -2.9765 -2.8761 -2.8642 -1.3123 -1.2111 3.9283 3.9413 6.2979 6.3397 7.6657 7.7151 16.7149 16.7333 17.8234 17.8424 20.2367 20.3000 22.2986 22.3539 k = 0.5000 0.1039 0.4654 ( 734 PWs) bands (ev): -4.9629 -4.8961 -3.4411 -3.4174 -3.3030 -3.0503 -3.0348 -2.9792 -2.8752 -2.8642 -1.3350 -1.2330 3.8806 3.8937 6.3712 6.4125 7.7469 7.7956 16.7575 16.7768 17.7249 17.7451 20.2492 20.3104 22.2998 22.3522 k = 0.5000 0.1097 0.4572 ( 732 PWs) bands (ev): -4.9674 -4.9015 -3.4441 -3.4211 -3.2981 -3.0532 -3.0359 -2.9817 -2.8744 -2.8639 -1.3580 -1.2552 3.8320 3.8451 6.4504 6.4913 7.8267 7.8746 16.8030 16.8234 17.6247 17.6459 20.2639 20.3233 22.2887 22.3376 k = 0.5000 0.1155 0.4491 ( 734 PWs) bands (ev): -4.9721 -4.9073 -3.4472 -3.4250 -3.2931 -3.0561 -3.0372 -2.9844 -2.8735 -2.8634 -1.3809 -1.2775 3.7828 3.7959 6.5348 6.5752 7.9049 7.9519 16.8510 16.8724 17.5234 17.5454 20.2804 20.3383 22.2655 22.3104 k = 0.5000 0.1212 0.4409 ( 734 PWs) bands (ev): -4.9769 -4.9132 -3.4502 -3.4290 -3.2880 -3.0591 -3.0385 -2.9870 -2.8727 -2.8628 -1.4039 -1.3000 3.7335 3.7464 6.6239 6.6639 7.9814 8.0275 16.9013 16.9235 17.4220 17.4447 20.2984 20.3551 22.2312 22.2718 k = 0.5000 0.1270 0.4327 ( 740 PWs) bands (ev): -4.9819 -4.9195 -3.4533 -3.4331 -3.2829 -3.0621 -3.0400 -2.9897 -2.8719 -2.8620 -1.4266 -1.3225 3.6843 3.6970 6.7172 6.7568 8.0560 8.1011 16.9518 16.9744 17.3229 17.3458 20.3176 20.3731 22.1868 22.2227 k = 0.5000 0.1328 0.4246 ( 740 PWs) bands (ev): -4.9870 -4.9259 -3.4562 -3.4372 -3.2775 -3.0650 -3.0414 -2.9923 -2.8709 -2.8611 -1.4491 -1.3449 3.6354 3.6478 6.8143 6.8536 8.1287 8.1727 16.9965 17.0167 17.2343 17.2555 20.3377 20.3923 22.1332 22.1645 k = 0.5000 0.1386 0.4164 ( 740 PWs) bands (ev): -4.9921 -4.9324 -3.4592 -3.4413 -3.2721 -3.0679 -3.0429 -2.9951 -2.8699 -2.8600 -1.4713 -1.3671 3.5871 3.5992 6.9148 6.9537 8.1993 8.2422 17.0103 17.0159 17.1885 17.2018 20.3585 20.4123 22.0723 22.0988 k = 0.5000 0.1443 0.4082 ( 740 PWs) bands (ev): -4.9974 -4.9392 -3.4621 -3.4455 -3.2665 -3.0706 -3.0444 -2.9978 -2.8687 -2.8588 -1.4931 -1.3892 3.5396 3.5514 7.0183 7.0568 8.2677 8.3093 16.9453 16.9561 17.2076 17.2261 20.3795 20.4327 22.0050 22.0270 k = 0.5000 0.1501 0.4001 ( 740 PWs) bands (ev): -5.0027 -4.9461 -3.4650 -3.4496 -3.2608 -3.0733 -3.0460 -3.0007 -2.8674 -2.8576 -1.5143 -1.4111 3.4931 3.5045 7.1242 7.1623 8.3337 8.3741 16.8478 16.8641 17.2621 17.2853 20.4007 20.4534 21.9326 21.9502 k = 0.5000 0.1559 0.3919 ( 740 PWs) bands (ev): -5.0080 -4.9531 -3.4678 -3.4537 -3.2550 -3.0758 -3.0476 -3.0036 -2.8659 -2.8564 -1.5350 -1.4326 3.4477 3.4587 7.2322 7.2698 8.3973 8.4363 16.7431 16.7613 17.3296 17.3553 20.4218 20.4740 21.8562 21.8700 k = 0.5000 0.1617 0.3838 ( 742 PWs) bands (ev): -5.0133 -4.9602 -3.4706 -3.4578 -3.2492 -3.0782 -3.0493 -3.0066 -2.8644 -2.8551 -1.5550 -1.4537 3.4035 3.4141 7.3418 7.3789 8.4583 8.4960 16.6358 16.6547 17.4036 17.4309 20.4425 20.4944 21.7769 21.7875 k = 0.5000 0.1674 0.3756 ( 742 PWs) bands (ev): -5.0187 -4.9673 -3.4734 -3.4618 -3.2432 -3.0805 -3.0509 -3.0096 -2.8627 -2.8538 -1.5743 -1.4745 3.3608 3.3708 7.4527 7.4892 8.5168 8.5530 16.5274 16.5466 17.4821 17.5107 20.4627 20.5144 21.6956 21.7039 k = 0.5000 0.1732 0.3674 ( 742 PWs) bands (ev): -5.0239 -4.9745 -3.4761 -3.4657 -3.2372 -3.0826 -3.0526 -3.0127 -2.8608 -2.8525 -1.5929 -1.4948 3.3195 3.3291 7.5644 7.6003 8.5726 8.6074 16.4187 16.4379 17.5641 17.5939 20.4822 20.5337 21.6129 21.6207 k = 0.5000 0.1790 0.3593 ( 744 PWs) bands (ev): -5.0291 -4.9817 -3.4787 -3.4696 -3.2310 -3.0846 -3.0543 -3.0159 -2.8590 -2.8512 -1.6107 -1.5146 3.2798 3.2889 7.6764 7.7116 8.6258 8.6590 16.3101 16.3292 17.6491 17.6799 20.5007 20.5522 21.5295 21.5385 k = 0.5000 0.1848 0.3511 ( 744 PWs) bands (ev): -5.0342 -4.9888 -3.4813 -3.4732 -3.2247 -3.0864 -3.0560 -3.0191 -2.8570 -2.8498 -1.6276 -1.5338 3.2417 3.2503 7.7883 7.8228 8.6762 8.7079 16.2021 16.2210 17.7366 17.7682 20.5182 20.5697 21.4469 21.4578 k = 0.5000 0.1905 0.3429 ( 740 PWs) bands (ev): -5.0391 -4.9959 -3.4837 -3.4768 -3.2184 -3.0881 -3.0577 -3.0223 -2.8550 -2.8484 -1.6436 -1.5525 3.2054 3.2135 7.8997 7.9333 8.7239 8.7540 16.0952 16.1137 17.8262 17.8586 20.5345 20.5860 21.3659 21.3792 k = 0.5000 0.1963 0.3348 ( 740 PWs) bands (ev): -5.0439 -5.0029 -3.4861 -3.4802 -3.2120 -3.0896 -3.0594 -3.0257 -2.8529 -2.8471 -1.6587 -1.5706 3.1709 3.1785 8.0100 8.0426 8.7689 8.7973 15.9896 16.0076 17.9173 17.9503 20.5493 20.6009 21.2871 21.3029 k = 0.5000 0.2021 0.3266 ( 742 PWs) bands (ev): -5.0485 -5.0097 -3.4884 -3.4834 -3.2056 -3.0910 -3.0610 -3.0291 -2.8509 -2.8459 -1.6727 -1.5880 3.1383 3.1454 8.1186 8.1502 8.8110 8.8378 15.8858 15.9033 18.0095 18.0429 20.5627 20.6143 21.2114 21.2295 k = 0.5000 0.2078 0.3184 ( 740 PWs) bands (ev): -5.0528 -5.0164 -3.4906 -3.4864 -3.1992 -3.0923 -3.0626 -3.0326 -2.8489 -2.8446 -1.6858 -1.6048 3.1075 3.1141 8.2252 8.2556 8.8504 8.8755 15.7843 15.8012 18.1023 18.1360 20.5744 20.6261 21.1392 21.1596 k = 0.5000 0.2136 0.3103 ( 742 PWs) bands (ev): -5.0569 -5.0229 -3.4927 -3.4893 -3.1927 -3.0935 -3.0642 -3.0361 -2.8470 -2.8433 -1.6978 -1.6209 3.0787 3.0848 8.3289 8.3581 8.8870 8.9104 15.6856 15.7019 18.1949 18.2287 20.5843 20.6359 21.0710 21.0933 k = 0.5000 0.2194 0.3021 ( 742 PWs) bands (ev): -5.0607 -5.0291 -3.4947 -3.4920 -3.1862 -3.0946 -3.0657 -3.0397 -2.8452 -2.8421 -1.7088 -1.6362 3.0520 3.0576 8.4293 8.4571 8.9208 8.9425 15.5902 15.6058 18.2867 18.3204 20.5924 20.6437 21.0074 21.0313 k = 0.5000 0.2252 0.2939 ( 742 PWs) bands (ev): -5.0642 -5.0352 -3.4966 -3.4945 -3.1798 -3.0956 -3.0672 -3.0433 -2.8434 -2.8409 -1.7186 -1.6507 3.0272 3.0323 8.5255 8.5518 8.9520 8.9719 15.4989 15.5136 18.3771 18.4103 20.5985 20.6492 20.9486 20.9737 k = 0.5000 0.2309 0.2858 ( 742 PWs) bands (ev): -5.0674 -5.0409 -3.4984 -3.4967 -3.1734 -3.0966 -3.0685 -3.0470 -2.8417 -2.8397 -1.7273 -1.6644 3.0046 3.0092 8.6170 8.6417 8.9804 8.9985 15.4121 15.4260 18.4650 18.4975 20.6025 20.6523 20.8955 20.9212 k = 0.5000 0.2367 0.2776 ( 742 PWs) bands (ev): -5.0702 -5.0462 -3.5000 -3.4988 -3.1670 -3.0976 -3.0698 -3.0506 -2.8402 -2.8387 -1.7349 -1.6773 2.9840 2.9881 8.7031 8.7259 9.0061 9.0225 15.3307 15.3436 18.5496 18.5810 20.6044 20.6526 20.8484 20.8740 k = 0.5000 0.2425 0.2694 ( 744 PWs) bands (ev): -5.0727 -5.0513 -3.5015 -3.5006 -3.1607 -3.0987 -3.0710 -3.0542 -2.8388 -2.8377 -1.7413 -1.6894 2.9655 2.9692 8.7829 8.8038 9.0292 9.0437 15.2552 15.2671 18.6299 18.6598 20.6041 20.6495 20.8082 20.8323 k = 0.5000 0.2483 0.2613 ( 744 PWs) bands (ev): -5.0747 -5.0559 -3.5028 -3.5022 -3.1546 -3.0998 -3.0720 -3.0578 -2.8375 -2.8368 -1.7466 -1.7005 2.9492 2.9524 8.8558 8.8746 9.0497 9.0624 15.1865 15.1972 18.7049 18.7328 20.6016 20.6429 20.7753 20.7965 k = 0.5000 0.2540 0.2531 ( 740 PWs) bands (ev): -5.0763 -5.0602 -3.5040 -3.5036 -3.1485 -3.1010 -3.0729 -3.0611 -2.8363 -2.8359 -1.7507 -1.7107 2.9351 2.9378 8.9209 8.9375 9.0676 9.0785 15.1253 15.1347 18.7736 18.7990 20.5973 20.6329 20.7501 20.7668 k = 0.5000 0.2598 0.2449 ( 746 PWs) bands (ev): -5.0776 -5.0641 -3.5050 -3.5048 -3.1426 -3.1027 -3.0737 -3.0643 -2.8355 -2.8352 -1.7536 -1.7199 2.9232 2.9254 8.9774 8.9915 9.0830 9.0921 15.0722 15.0802 18.8346 18.8570 20.5913 20.6203 20.7316 20.7430 k = 0.5000 0.2656 0.2368 ( 750 PWs) bands (ev): -5.0783 -5.0675 -3.5059 -3.5058 -3.1370 -3.1047 -3.0744 -3.0671 -2.8348 -2.8346 -1.7553 -1.7282 2.9134 2.9152 9.0244 9.0360 9.0963 9.1034 15.0279 15.0344 18.8869 18.9057 20.5847 20.6069 20.7185 20.7250 k = 0.5000 0.2714 0.2286 ( 750 PWs) bands (ev): -5.0786 -5.0705 -3.5066 -3.5066 -3.1315 -3.1070 -3.0747 -3.0695 -2.8342 -2.8341 -1.7559 -1.7354 2.9058 2.9072 9.0613 9.0699 9.1080 9.1129 14.9930 14.9980 18.9296 18.9443 20.5785 20.5945 20.7092 20.7122 k = 0.5000 0.2771 0.2205 ( 754 PWs) bands (ev): -5.0785 -5.0731 -3.5072 -3.5071 -3.1265 -3.1100 -3.0748 -3.0715 -2.8338 -2.8338 -1.7553 -1.7416 2.9005 2.9014 9.0866 9.0918 9.1187 9.1209 14.9679 14.9713 18.9616 18.9717 20.5739 20.5842 20.7028 20.7037 k = 0.5000 0.2829 0.2123 ( 754 PWs) bands (ev): -5.0778 -5.0751 -3.5074 -3.5074 -3.1217 -3.1134 -3.0746 -3.0730 -2.8335 -2.8335 -1.7535 -1.7467 2.8974 2.8978 9.1005 9.1025 9.1274 9.1278 14.9531 14.9548 18.9822 18.9873 20.5717 20.5768 20.6990 20.6991 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -5.0767 -5.0767 -3.5075 -3.5075 -3.1173 -3.1173 -3.0740 -3.0740 -2.8335 -2.8335 -1.7507 -1.7507 2.8965 2.8965 9.1050 9.1050 9.1307 9.1307 14.9487 14.9487 18.9909 18.9909 20.5726 20.5726 20.6976 20.6976 k = 0.5000 0.2887 0.2041 ( 754 PWs) bands (ev): -5.0767 -5.0767 -3.5075 -3.5075 -3.1173 -3.1173 -3.0740 -3.0740 -2.8335 -2.8335 -1.7507 -1.7507 2.8965 2.8965 9.1050 9.1050 9.1307 9.1307 14.9487 14.9487 18.9909 18.9909 20.5726 20.5726 20.6976 20.6976 k = 0.4972 0.2870 0.2134 ( 754 PWs) bands (ev): -5.0778 -5.0751 -3.5074 -3.5074 -3.1216 -3.1134 -3.0746 -3.0730 -2.8335 -2.8335 -1.7535 -1.7467 2.8974 2.8978 9.1006 9.1026 9.1276 9.1278 14.9529 14.9546 18.9825 18.9875 20.5717 20.5768 20.6989 20.6990 k = 0.4943 0.2854 0.2227 ( 754 PWs) bands (ev): -5.0785 -5.0731 -3.5072 -3.5071 -3.1263 -3.1101 -3.0748 -3.0716 -2.8338 -2.8338 -1.7553 -1.7418 2.9004 2.9012 9.0874 9.0921 9.1196 9.1206 14.9673 14.9706 18.9625 18.9723 20.5738 20.5839 20.7029 20.7032 k = 0.4915 0.2838 0.2320 ( 752 PWs) bands (ev): -5.0786 -5.0706 -3.5067 -3.5066 -3.1313 -3.1072 -3.0747 -3.0697 -2.8342 -2.8341 -1.7559 -1.7357 2.9055 2.9069 9.0631 9.0704 9.1101 9.1120 14.9915 14.9964 18.9314 18.9458 20.5784 20.5938 20.7097 20.7108 k = 0.4886 0.2821 0.2412 ( 746 PWs) bands (ev): -5.0783 -5.0677 -3.5059 -3.5058 -3.1366 -3.1047 -3.0743 -3.0673 -2.8347 -2.8345 -1.7554 -1.7287 2.9128 2.9146 9.0279 9.0373 9.0999 9.1021 15.0254 15.0318 18.8900 18.9085 20.5849 20.6057 20.7197 20.7221 k = 0.4858 0.2805 0.2505 ( 744 PWs) bands (ev): -5.0776 -5.0644 -3.5051 -3.5048 -3.1421 -3.1028 -3.0737 -3.0645 -2.8355 -2.8351 -1.7538 -1.7206 2.9223 2.9245 8.9823 8.9936 9.0880 9.0904 15.0683 15.0762 18.8391 18.8612 20.5923 20.6183 20.7336 20.7376 k = 0.4830 0.2788 0.2598 ( 743 PWs) bands (ev): -5.0765 -5.0606 -3.5042 -3.5037 -3.1479 -3.1012 -3.0730 -3.0614 -2.8364 -2.8357 -1.7510 -1.7116 2.9339 2.9366 8.9273 8.9404 9.0742 9.0768 15.1198 15.1290 18.7798 18.8049 20.5998 20.6304 20.7525 20.7581 k = 0.4801 0.2772 0.2691 ( 743 PWs) bands (ev): -5.0749 -5.0564 -3.5031 -3.5023 -3.1539 -3.0999 -3.0721 -3.0581 -2.8375 -2.8364 -1.7471 -1.7017 2.9476 2.9507 8.8637 8.8785 9.0582 9.0611 15.1791 15.1895 18.7130 18.7406 20.6067 20.6409 20.7772 20.7838 k = 0.4773 0.2756 0.2784 ( 745 PWs) bands (ev): -5.0730 -5.0519 -3.5018 -3.5007 -3.1599 -3.0988 -3.0711 -3.0547 -2.8389 -2.8372 -1.7421 -1.6908 2.9634 2.9669 8.7921 8.8086 9.0402 9.0433 15.2455 15.2571 18.6400 18.6696 20.6124 20.6492 20.8078 20.8149 k = 0.4744 0.2739 0.2876 ( 747 PWs) bands (ev): -5.0706 -5.0470 -3.5005 -3.4989 -3.1661 -3.0978 -3.0700 -3.0512 -2.8404 -2.8381 -1.7359 -1.6791 2.9812 2.9853 8.7133 8.7313 9.0201 9.0234 15.3183 15.3308 18.5618 18.5929 20.6168 20.6552 20.8443 20.8514 k = 0.4716 0.2723 0.2969 ( 747 PWs) bands (ev): -5.0679 -5.0418 -3.4990 -3.4968 -3.1724 -3.0969 -3.0688 -3.0476 -2.8421 -2.8390 -1.7286 -1.6666 3.0011 3.0057 8.6279 8.6473 8.9981 9.0016 15.3965 15.4099 18.4796 18.5118 20.6198 20.6592 20.8863 20.8931 k = 0.4688 0.2706 0.3062 ( 747 PWs) bands (ev): -5.0648 -5.0362 -3.4974 -3.4945 -3.1787 -3.0960 -3.0675 -3.0440 -2.8440 -2.8399 -1.7202 -1.6532 3.0231 3.0281 8.5365 8.5573 8.9742 8.9779 15.4793 15.4934 18.3945 18.4274 20.6215 20.6614 20.9332 20.9395 k = 0.4659 0.2690 0.3155 ( 746 PWs) bands (ev): -5.0614 -5.0304 -3.4957 -3.4920 -3.1850 -3.0950 -3.0660 -3.0404 -2.8459 -2.8408 -1.7108 -1.6390 3.0471 3.0526 8.4400 8.4620 8.9484 8.9523 15.5656 15.5803 18.3076 18.3409 20.6223 20.6624 20.9847 20.9905 k = 0.4631 0.2674 0.3247 ( 746 PWs) bands (ev): -5.0577 -5.0243 -3.4940 -3.4892 -3.1914 -3.0939 -3.0645 -3.0369 -2.8481 -2.8417 -1.7002 -1.6241 3.0730 3.0790 8.3386 8.3619 8.9209 8.9251 15.6544 15.6695 18.2200 18.2534 20.6219 20.6620 21.0402 21.0456 k = 0.4602 0.2657 0.3340 ( 744 PWs) bands (ev): -5.0537 -5.0179 -3.4921 -3.4861 -3.1977 -3.0928 -3.0630 -3.0333 -2.8503 -2.8425 -1.6887 -1.6085 3.1009 3.1074 8.2331 8.2575 8.8920 8.8963 15.7446 15.7599 18.1330 18.1662 20.6207 20.6608 21.0996 21.1046 k = 0.4574 0.2641 0.3433 ( 742 PWs) bands (ev): -5.0495 -5.0114 -3.4902 -3.4828 -3.2040 -3.0916 -3.0613 -3.0298 -2.8527 -2.8433 -1.6761 -1.5922 3.1307 3.1377 8.1240 8.1495 8.8615 8.8660 15.8347 15.8501 18.0478 18.0804 20.6189 20.6589 21.1627 21.1673 k = 0.4545 0.2624 0.3526 ( 743 PWs) bands (ev): -5.0451 -5.0048 -3.4883 -3.4793 -3.2103 -3.0903 -3.0597 -3.0264 -2.8552 -2.8441 -1.6625 -1.5752 3.1624 3.1699 8.0120 8.0385 8.8296 8.8343 15.9234 15.9385 17.9657 17.9976 20.6167 20.6565 21.2288 21.2330 k = 0.4517 0.2608 0.3619 ( 743 PWs) bands (ev): -5.0404 -4.9980 -3.4863 -3.4756 -3.2165 -3.0890 -3.0580 -3.0230 -2.8578 -2.8449 -1.6480 -1.5577 3.1959 3.2038 7.8974 7.9248 8.7965 8.8014 16.0088 16.0234 17.8886 17.9194 20.6143 20.6540 21.2978 21.3018 k = 0.4489 0.2592 0.3711 ( 743 PWs) bands (ev): -5.0356 -4.9911 -3.4844 -3.4716 -3.2227 -3.0875 -3.0563 -3.0197 -2.8605 -2.8455 -1.6326 -1.5395 3.2311 3.2395 7.7808 7.8091 8.7623 8.7673 16.0888 16.1027 17.8183 17.8477 20.6121 20.6517 21.3694 21.3732 k = 0.4460 0.2575 0.3804 ( 743 PWs) bands (ev): -5.0306 -4.9841 -3.4824 -3.4674 -3.2288 -3.0858 -3.0546 -3.0165 -2.8632 -2.8461 -1.6164 -1.5209 3.2680 3.2769 7.6627 7.6919 8.7271 8.7323 16.1611 16.1737 17.7571 17.7846 20.6102 20.6497 21.4434 21.4469 k = 0.4432 0.2559 0.3897 ( 743 PWs) bands (ev): -5.0256 -4.9771 -3.4804 -3.4629 -3.2348 -3.0841 -3.0528 -3.0133 -2.8659 -2.8466 -1.5994 -1.5017 3.3065 3.3159 7.5434 7.5734 8.6910 8.6964 16.2229 16.2337 17.7075 17.7328 20.6090 20.6484 21.5195 21.5228 k = 0.4403 0.2542 0.3990 ( 741 PWs) bands (ev): -5.0204 -4.9701 -3.4785 -3.4582 -3.2407 -3.0822 -3.0510 -3.0101 -2.8687 -2.8471 -1.5816 -1.4821 3.3466 3.3565 7.4236 7.4544 8.6543 8.6597 16.2714 16.2800 17.6721 17.6946 20.6089 20.6482 21.5973 21.6004 k = 0.4375 0.2526 0.4082 ( 745 PWs) bands (ev): -5.0152 -4.9632 -3.4766 -3.4534 -3.2466 -3.0803 -3.0493 -3.0070 -2.8715 -2.8474 -1.5631 -1.4621 3.3880 3.3984 7.3034 7.3350 8.6168 8.6224 16.3040 16.3098 17.6529 17.6723 20.6100 20.6493 21.6765 21.6794 k = 0.4347 0.2510 0.4175 ( 739 PWs) bands (ev): -5.0099 -4.9563 -3.4747 -3.4483 -3.2523 -3.0781 -3.0474 -3.0039 -2.8742 -2.8476 -1.5440 -1.4418 3.4309 3.4417 7.1836 7.2159 8.5790 8.5847 16.3191 16.3219 17.6510 17.6670 20.6130 20.6523 21.7570 21.7598 k = 0.4318 0.2493 0.4268 ( 741 PWs) bands (ev): -5.0047 -4.9495 -3.4729 -3.4430 -3.2579 -3.0760 -3.0457 -3.0009 -2.8770 -2.8477 -1.5243 -1.4211 3.4749 3.4862 7.0643 7.0973 8.5407 8.5465 16.3162 16.3164 17.6658 17.6785 20.6179 20.6574 21.8382 21.8408 k = 0.4290 0.2477 0.4361 ( 741 PWs) bands (ev): -4.9995 -4.9429 -3.4711 -3.4375 -3.2634 -3.0737 -3.0439 -2.9979 -2.8797 -2.8477 -1.5042 -1.4003 3.5200 3.5316 6.9460 6.9797 8.5022 8.5081 16.2944 16.2972 17.6952 17.7049 20.6254 20.6649 21.9200 21.9223 k = 0.4261 0.2460 0.4454 ( 737 PWs) bands (ev): -4.9943 -4.9364 -3.4694 -3.4318 -3.2687 -3.0712 -3.0422 -2.9948 -2.8823 -2.8476 -1.4837 -1.3793 3.5660 3.5780 6.8293 6.8637 8.4637 8.4697 16.2591 16.2641 17.7362 17.7434 20.6358 20.6755 22.0021 22.0042 k = 0.4233 0.2444 0.4546 ( 737 PWs) bands (ev): -4.9892 -4.9301 -3.4678 -3.4260 -3.2740 -3.0688 -3.0405 -2.9919 -2.8848 -2.8474 -1.4629 -1.3583 3.6127 3.6250 6.7146 6.7497 8.4251 8.4311 16.2130 16.2198 17.7852 17.7905 20.6496 20.6894 22.0839 22.0859 k = 0.4205 0.2427 0.4639 ( 737 PWs) bands (ev): -4.9842 -4.9240 -3.4663 -3.4201 -3.2791 -3.0663 -3.0388 -2.9890 -2.8873 -2.8471 -1.4419 -1.3373 3.6599 3.6725 6.6023 6.6381 8.3866 8.3927 16.1590 16.1669 17.8388 17.8428 20.6671 20.7070 22.1653 22.1671 k = 0.4176 0.2411 0.4732 ( 735 PWs) bands (ev): -4.9793 -4.9182 -3.4649 -3.4140 -3.2840 -3.0637 -3.0371 -2.9861 -2.8897 -2.8466 -1.4208 -1.3163 3.7073 3.7201 6.4930 6.5296 8.3484 8.3545 16.0994 16.1081 17.8945 17.8975 20.6887 20.7288 22.2461 22.2476 k = 0.4148 0.2395 0.4825 ( 735 PWs) bands (ev): -4.9745 -4.9126 -3.4635 -3.4078 -3.2888 -3.0612 -3.0355 -2.9832 -2.8920 -2.8461 -1.3998 -1.2957 3.7546 3.7676 6.3873 6.4246 8.3105 8.3166 16.0358 16.0450 17.9496 17.9520 20.7146 20.7548 22.3257 22.3269 k = 0.4119 0.2378 0.4918 ( 739 PWs) bands (ev): -4.9700 -4.9073 -3.4624 -3.4017 -3.2935 -3.0587 -3.0341 -2.9804 -2.8943 -2.8454 -1.3789 -1.2753 3.8014 3.8145 6.2856 6.3237 8.2730 8.2791 15.9699 15.9791 18.0024 18.0045 20.7449 20.7852 22.4040 22.4049 k = 0.4091 0.2362 0.5010 ( 735 PWs) bands (ev): -4.9655 -4.9022 -3.4612 -3.3953 -3.2980 -3.0561 -3.0325 -2.9776 -2.8963 -2.8447 -1.3584 -1.2555 3.8474 3.8605 6.1889 6.2278 8.2361 8.2422 15.9026 15.9118 18.0516 18.0536 20.7801 20.8204 22.4809 22.4815 k = 0.4062 0.2345 0.5103 ( 731 PWs) bands (ev): -4.9612 -4.8974 -3.4602 -3.3890 -3.3023 -3.0536 -3.0310 -2.9747 -2.8982 -2.8438 -1.3383 -1.2362 3.8921 3.9051 6.0978 6.1375 8.1998 8.2060 15.8349 15.8438 18.0959 18.0979 20.8197 20.8598 22.5557 22.5560 k = 0.4034 0.2329 0.5196 ( 731 PWs) bands (ev): -4.9572 -4.8930 -3.4592 -3.3828 -3.3064 -3.0513 -3.0297 -2.9719 -2.9001 -2.8428 -1.3189 -1.2176 3.9349 3.9477 6.0130 6.0536 8.1642 8.1704 15.7673 15.7758 18.1344 18.1365 20.8636 20.9034 22.6282 22.6283 k = 0.4006 0.2313 0.5289 ( 733 PWs) bands (ev): -4.9534 -4.8890 -3.4584 -3.3767 -3.3103 -3.0490 -3.0284 -2.9691 -2.9018 -2.8419 -1.3003 -1.2000 3.9752 3.9877 5.9355 5.9770 8.1294 8.1356 15.7003 15.7083 18.1669 18.1690 20.9112 20.9507 22.6980 22.6986 k = 0.3977 0.2296 0.5381 ( 734 PWs) bands (ev): -4.9498 -4.8852 -3.4577 -3.3709 -3.3138 -3.0469 -3.0271 -2.9663 -2.9034 -2.8408 -1.2826 -1.1835 4.0122 4.0244 5.8661 5.9086 8.0956 8.1017 15.6342 15.6417 18.1930 18.1953 20.9621 21.0010 22.7651 22.7662 k = 0.3949 0.2280 0.5474 ( 733 PWs) bands (ev): -4.9464 -4.8818 -3.4571 -3.3653 -3.3169 -3.0450 -3.0259 -2.9635 -2.9048 -2.8397 -1.2662 -1.1681 4.0455 4.0572 5.8059 5.8493 8.0627 8.0688 15.5695 15.5763 18.2128 18.2151 21.0153 21.0535 22.8293 22.8310 k = 0.3920 0.2263 0.5567 ( 733 PWs) bands (ev): -4.9432 -4.8787 -3.4566 -3.3602 -3.3195 -3.0432 -3.0248 -2.9607 -2.9062 -2.8386 -1.2511 -1.1543 4.0741 4.0853 5.7557 5.8001 8.0309 8.0369 15.5063 15.5123 18.2262 18.2286 21.0700 21.1073 22.8906 22.8929 k = 0.3892 0.2247 0.5660 ( 733 PWs) bands (ev): -4.9403 -4.8760 -3.4561 -3.3560 -3.3211 -3.0417 -3.0238 -2.9578 -2.9074 -2.8374 -1.2376 -1.1420 4.0977 4.1083 5.7163 5.7617 8.0003 8.0062 15.4448 15.4501 18.2337 18.2361 21.1249 21.1612 22.9486 22.9516 k = 0.3864 0.2231 0.5753 ( 733 PWs) bands (ev): -4.9377 -4.8737 -3.4558 -3.3531 -3.3215 -3.0404 -3.0228 -2.9550 -2.9085 -2.8362 -1.2259 -1.1316 4.1157 4.1258 5.6885 5.7348 7.9709 7.9768 15.3851 15.3896 18.2354 18.2378 21.1791 21.2143 23.0033 23.0072 k = 0.3835 0.2214 0.5845 ( 735 PWs) bands (ev): -4.9353 -4.8717 -3.4555 -3.3517 -3.3203 -3.0393 -3.0219 -2.9521 -2.9096 -2.8351 -1.2163 -1.1232 4.1282 4.1377 5.6724 5.7196 7.9427 7.9485 15.3274 15.3310 18.2319 18.2342 21.2311 21.2652 23.0546 23.0594 k = 0.3807 0.2198 0.5938 ( 737 PWs) bands (ev): -4.9333 -4.8701 -3.4554 -3.3519 -3.3176 -3.0384 -3.0210 -2.9493 -2.9106 -2.8339 -1.2088 -1.1170 4.1352 4.1442 5.6682 5.7160 7.9160 7.9217 15.2717 15.2744 18.2234 18.2256 21.2799 21.3127 23.1025 23.1082 k = 0.3778 0.2181 0.6031 ( 740 PWs) bands (ev): -4.9315 -4.8689 -3.4552 -3.3532 -3.3139 -3.0378 -3.0202 -2.9465 -2.9115 -2.8328 -1.2039 -1.1132 4.1375 4.1460 5.6754 5.7238 7.8907 7.8963 15.2181 15.2199 18.2105 18.2125 21.3242 21.3559 23.1469 23.1536 k = 0.3750 0.2165 0.6124 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.6250-0.0722 0.4082 ( 740 PWs) bands (ev): -4.9299 -4.8679 -3.4551 -3.3551 -3.3095 -3.0375 -3.0194 -2.9438 -2.9123 -2.8317 -1.2015 -1.1120 4.1359 4.1440 5.6934 5.7423 7.8668 7.8723 15.1667 15.1676 18.1937 18.1956 21.3631 21.3936 23.1878 23.1956 k = 0.6200-0.0808 0.4082 ( 740 PWs) bands (ev): -4.9275 -4.8668 -3.4550 -3.3591 -3.3013 -3.0370 -3.0181 -2.9394 -2.9133 -2.8299 -1.2009 -1.1135 4.1292 4.1365 5.7383 5.7877 7.8268 7.8321 15.0777 15.0784 18.1569 18.1586 21.4247 21.4531 23.2564 23.2664 k = 0.6150-0.0895 0.4082 ( 740 PWs) bands (ev): -4.9252 -4.8659 -3.4549 -3.3632 -3.2928 -3.0366 -3.0168 -2.9359 -2.9134 -2.8281 -1.2022 -1.1170 4.1204 4.1272 5.7911 5.8409 7.7880 7.7931 14.9882 14.9905 18.1126 18.1139 21.4829 21.5092 23.3241 23.3368 k = 0.6100-0.0981 0.4082 ( 740 PWs) bands (ev): -4.9231 -4.8653 -3.4548 -3.3675 -3.2839 -3.0363 -3.0154 -2.9338 -2.9122 -2.8264 -1.2054 -1.1224 4.1099 4.1161 5.8513 5.9013 7.7503 7.7553 14.8990 14.9028 18.0612 18.0620 21.5375 21.5618 23.3903 23.4067 k = 0.6050-0.1068 0.4082 ( 740 PWs) bands (ev): -4.9210 -4.8649 -3.4547 -3.3718 -3.2748 -3.0361 -3.0140 -2.9333 -2.9093 -2.8247 -1.2101 -1.1295 4.0978 4.1036 5.9180 5.9680 7.7140 7.7188 14.8102 14.8155 18.0038 18.0042 21.5883 21.6105 23.4545 23.4758 k = 0.6000-0.1155 0.4082 ( 736 PWs) bands (ev): -4.9190 -4.8646 -3.4545 -3.3762 -3.2654 -3.0360 -3.0125 -2.9341 -2.9053 -2.8230 -1.2162 -1.1380 4.0845 4.0898 5.9906 6.0404 7.6791 7.6837 14.7218 14.7285 17.9411 17.9412 21.6353 21.6555 23.5162 23.5439 k = 0.5950-0.1241 0.4082 ( 740 PWs) bands (ev): -4.9171 -4.8646 -3.4545 -3.3806 -3.2560 -3.0360 -3.0111 -2.9356 -2.9006 -2.8215 -1.2235 -1.1477 4.0702 4.0752 6.0682 6.1175 7.6454 7.6498 14.6336 14.6417 17.8740 17.8742 21.6786 21.6969 23.5742 23.6102 k = 0.5900-0.1328 0.4082 ( 740 PWs) bands (ev): -4.9154 -4.8648 -3.4544 -3.3849 -3.2464 -3.0361 -3.0096 -2.9375 -2.8956 -2.8200 -1.2316 -1.1585 4.0553 4.0599 6.1498 6.1985 7.6132 7.6174 14.5459 14.5554 17.8036 17.8041 21.7183 21.7349 23.6285 23.6748 k = 0.5850-0.1415 0.4082 ( 740 PWs) bands (ev): -4.9136 -4.8653 -3.4543 -3.3892 -3.2366 -3.0363 -3.0082 -2.9397 -2.8903 -2.8186 -1.2405 -1.1701 4.0400 4.0443 6.2347 6.2826 7.5825 7.5866 14.4589 14.4695 17.7311 17.7319 21.7547 21.7697 23.6796 23.7371 k = 0.5800-0.1501 0.4082 ( 738 PWs) bands (ev): -4.9120 -4.8658 -3.4541 -3.3935 -3.2267 -3.0366 -3.0067 -2.9420 -2.8850 -2.8172 -1.2498 -1.1824 4.0245 4.0286 6.3220 6.3688 7.5533 7.5573 14.3725 14.3843 17.6575 17.6585 21.7880 21.8015 23.7287 23.7965 k = 0.5750-0.1588 0.4082 ( 738 PWs) bands (ev): -4.9104 -4.8666 -3.4539 -3.3976 -3.2168 -3.0371 -3.0052 -2.9445 -2.8797 -2.8160 -1.2595 -1.1951 4.0092 4.0130 6.4107 6.4563 7.5257 7.5295 14.2872 14.2999 17.5840 17.5851 21.8184 21.8306 23.7771 23.8526 k = 0.5700-0.1674 0.4082 ( 738 PWs) bands (ev): -4.9088 -4.8674 -3.4537 -3.4017 -3.2068 -3.0378 -3.0038 -2.9471 -2.8745 -2.8149 -1.2693 -1.2081 3.9942 3.9977 6.5001 6.5443 7.4997 7.5033 14.2032 14.2167 17.5113 17.5125 21.8463 21.8572 23.8256 23.9050 k = 0.5650-0.1761 0.4082 ( 736 PWs) bands (ev): -4.9073 -4.8684 -3.4535 -3.4056 -3.1967 -3.0386 -3.0023 -2.9497 -2.8693 -2.8139 -1.2790 -1.2211 3.9796 3.9829 6.5892 6.6317 7.4753 7.4788 14.1209 14.1350 17.4406 17.4418 21.8718 21.8816 23.8745 23.9542 k = 0.5600-0.1848 0.4082 ( 736 PWs) bands (ev): -4.9058 -4.8696 -3.4532 -3.4094 -3.1868 -3.0397 -3.0008 -2.9524 -2.8642 -2.8131 -1.2885 -1.2342 3.9657 3.9687 6.6770 6.7177 7.4527 7.4560 14.0408 14.0552 17.3724 17.3735 21.8951 21.9038 23.9236 24.0009 k = 0.5550-0.1934 0.4082 ( 744 PWs) bands (ev): -4.9044 -4.8709 -3.4529 -3.4131 -3.1770 -3.0411 -2.9995 -2.9553 -2.8594 -2.8126 -1.2976 -1.2470 3.9525 3.9553 6.7627 6.8013 7.4317 7.4349 13.9633 13.9778 17.3074 17.3085 21.9163 21.9240 23.9720 24.0452 k = 0.5500-0.2021 0.4082 ( 742 PWs) bands (ev): -4.9029 -4.8722 -3.4524 -3.4166 -3.1671 -3.0428 -2.9980 -2.9580 -2.8546 -2.8121 -1.3062 -1.2595 3.9402 3.9428 6.8454 6.8818 7.4125 7.4156 13.8891 13.9036 17.2465 17.2475 21.9356 21.9425 24.0196 24.0874 k = 0.5450-0.2107 0.4082 ( 742 PWs) bands (ev): -4.9014 -4.8735 -3.4519 -3.4200 -3.1574 -3.0448 -2.9965 -2.9607 -2.8500 -2.8118 -1.3141 -1.2715 3.9289 3.9312 6.9241 6.9580 7.3951 7.3981 13.8190 13.8331 17.1901 17.1910 21.9530 21.9590 24.0653 24.1271 k = 0.5400-0.2194 0.4082 ( 742 PWs) bands (ev): -4.8999 -4.8750 -3.4514 -3.4232 -3.1479 -3.0471 -2.9951 -2.9634 -2.8457 -2.8117 -1.3212 -1.2829 3.9186 3.9206 6.9979 7.0291 7.3796 7.3825 13.7535 13.7670 17.1386 17.1393 21.9686 21.9738 24.1085 24.1637 k = 0.5350-0.2281 0.4082 ( 742 PWs) bands (ev): -4.8984 -4.8765 -3.4507 -3.4262 -3.1386 -3.0499 -2.9936 -2.9661 -2.8415 -2.8118 -1.3274 -1.2935 3.9094 3.9112 7.0658 7.0941 7.3660 7.3689 13.6935 13.7061 17.0924 17.0931 21.9824 21.9869 24.1485 24.1969 k = 0.5300-0.2367 0.4082 ( 736 PWs) bands (ev): -4.8968 -4.8779 -3.4499 -3.4290 -3.1295 -3.0530 -2.9921 -2.9687 -2.8376 -2.8122 -1.3327 -1.3032 3.9013 3.9029 7.1270 7.1521 7.3544 7.3573 13.6399 13.6512 17.0519 17.0525 21.9944 21.9982 24.1848 24.2262 k = 0.5250-0.2454 0.4082 ( 740 PWs) bands (ev): -4.8954 -4.8795 -3.4490 -3.4317 -3.1207 -3.0567 -2.9906 -2.9712 -2.8339 -2.8128 -1.3368 -1.3121 3.8944 3.8958 7.1801 7.2018 7.3450 7.3479 13.5930 13.6029 17.0173 17.0177 22.0046 22.0077 24.2167 24.2509 k = 0.5200-0.2540 0.4082 ( 740 PWs) bands (ev): -4.8938 -4.8811 -3.4479 -3.4342 -3.1123 -3.0609 -2.9891 -2.9736 -2.8305 -2.8136 -1.3399 -1.3199 3.8888 3.8899 7.2243 7.2424 7.3383 7.3410 13.5537 13.5620 16.9887 16.9890 22.0131 22.0155 24.2438 24.2710 k = 0.5150-0.2627 0.4082 ( 740 PWs) bands (ev): -4.8923 -4.8827 -3.4468 -3.4365 -3.1043 -3.0655 -2.9875 -2.9760 -2.8274 -2.8148 -1.3417 -1.3267 3.8844 3.8852 7.2584 7.2723 7.3351 7.3372 13.5228 13.5292 16.9663 16.9665 22.0197 22.0215 24.2660 24.2862 k = 0.5100-0.2714 0.4082 ( 740 PWs) bands (ev): -4.8907 -4.8843 -3.4455 -3.4386 -3.0966 -3.0707 -2.9858 -2.9781 -2.8246 -2.8162 -1.3423 -1.3323 3.8813 3.8818 7.2810 7.2898 7.3364 7.3373 13.5006 13.5050 16.9503 16.9504 22.0245 22.0257 24.2829 24.2963 k = 0.5050-0.2800 0.4082 ( 740 PWs) bands (ev): -4.8891 -4.8859 -3.4440 -3.4406 -3.0894 -3.0765 -2.9840 -2.9802 -2.8221 -2.8178 -1.3417 -1.3366 3.8795 3.8798 7.2926 7.2965 7.3402 7.3403 13.4876 13.4898 16.9406 16.9407 22.0275 22.0281 24.2944 24.3010 k = 0.5000-0.2887 0.4082 ( 740 PWs) bands (ev): -4.8875 -4.8875 -3.4424 -3.4424 -3.0827 -3.0827 -2.9822 -2.9822 -2.8198 -2.8198 -1.3398 -1.3398 3.8790 3.8790 7.2969 7.2969 7.3422 7.3422 13.4840 13.4840 16.9374 16.9374 22.0287 22.0287 24.3004 24.3004 Writing output data file GaN.save init_run : 1.83s CPU 13.54s WALL ( 1 calls) electrons : 150.05s CPU 155.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.20s CPU 1.29s WALL ( 1 calls) Called by electrons: c_bands : 150.00s CPU 154.82s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.74s WALL ( 1 calls) v_h : 0.02s CPU 0.21s WALL ( 1 calls) v_xc : 0.02s CPU 0.34s WALL ( 1 calls) newd : 0.25s CPU 0.42s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 466 calls) cegterg : 79.42s CPU 79.98s WALL ( 466 calls) Called by sum_band: Called by *egterg: h_psi : 41.07s CPU 43.90s WALL ( 6270 calls) s_psi : 2.43s CPU 3.08s WALL ( 6270 calls) g_psi : 0.01s CPU 0.08s WALL ( 5338 calls) cdiaghg : 27.05s CPU 26.51s WALL ( 5804 calls) cegterg:over : 7.90s CPU 6.46s WALL ( 5338 calls) cegterg:upda : 0.11s CPU 0.54s WALL ( 5338 calls) cegterg:last : 0.11s CPU 0.41s WALL ( 1399 calls) Called by h_psi: h_psi:vloc : 35.03s CPU 37.84s WALL ( 6270 calls) h_psi:vnl : 6.03s CPU 6.00s WALL ( 6270 calls) add_vuspsi : 0.77s CPU 1.96s WALL ( 6270 calls) General routines calbec : 5.24s CPU 3.90s WALL ( 6270 calls) fft : 0.12s CPU 0.92s WALL ( 19 calls) ffts : 0.01s CPU 0.05s WALL ( 4 calls) fftw : 33.69s CPU 36.28s WALL ( 501056 calls) interpolate : 0.02s CPU 0.09s WALL ( 4 calls) davcio : 0.04s CPU 2.83s WALL ( 932 calls) Parallel routines fft_scatter : 24.03s CPU 25.72s WALL ( 501079 calls) PWSCF : 3m 1.04s CPU 5m49.22s WALL This run was terminated on: 22:19:35 25Aug2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=