Program PWSCF v.5.1.1 starts on 23Jul2015 at 12:27: 0 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./CN2.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 30 16 5 382 144 28 Max 31 17 6 385 156 29 Sum 963 515 165 12293 4815 901 bravais-lattice index = 14 lattice parameter (alat) = 6.5519 a.u. unit-cell volume = 123.2276 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 14.00 number of Kohn-Sham states= 22 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.551928 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.746445 celldm(5)= -0.746445 celldm(6)= 0.492891 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.492891 0.870091 0.000000 ) a(3) = ( -0.746445 -0.435046 0.503542 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.566482 0.992966 ) b(2) = ( 0.000000 1.149305 0.992966 ) b(3) = ( 0.000000 0.000000 1.985931 ) PseudoPot. # 1 for C read from file: /home/autes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 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 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 atomic species valence mass pseudopotential C 4.00 12.01070 C( 1.00) N 5.00 14.00670 N( 1.00) 2 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 C2 2 -E -1 -C2 -2 Cartesian axes number of k points= 577 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 2) = ( 0.0000000 0.0000000 0.0110330), wk = 0.0017331 k( 3) = ( 0.0000000 0.0000000 0.0220659), wk = 0.0017331 k( 4) = ( 0.0000000 0.0000000 0.0330989), wk = 0.0017331 k( 5) = ( 0.0000000 0.0000000 0.0441318), wk = 0.0017331 k( 6) = ( 0.0000000 0.0000000 0.0551648), wk = 0.0017331 k( 7) = ( 0.0000000 0.0000000 0.0661977), wk = 0.0017331 k( 8) = ( 0.0000000 0.0000000 0.0772307), wk = 0.0017331 k( 9) = ( 0.0000000 0.0000000 0.0882636), wk = 0.0017331 k( 10) = ( 0.0000000 0.0000000 0.0992966), wk = 0.0017331 k( 11) = ( 0.0000000 0.0000000 0.1103295), wk = 0.0017331 k( 12) = ( 0.0000000 0.0000000 0.1213625), wk = 0.0017331 k( 13) = ( 0.0000000 0.0000000 0.1323954), wk = 0.0017331 k( 14) = ( 0.0000000 0.0000000 0.1434284), wk = 0.0017331 k( 15) = ( 0.0000000 0.0000000 0.1544613), wk = 0.0017331 k( 16) = ( 0.0000000 0.0000000 0.1654943), wk = 0.0017331 k( 17) = ( 0.0000000 0.0000000 0.1765272), wk = 0.0017331 k( 18) = ( 0.0000000 0.0000000 0.1875602), wk = 0.0017331 k( 19) = ( 0.0000000 0.0000000 0.1985931), wk = 0.0017331 k( 20) = ( 0.0000000 0.0000000 0.2096261), wk = 0.0017331 k( 21) = ( 0.0000000 0.0000000 0.2206590), wk = 0.0017331 k( 22) = ( 0.0000000 0.0000000 0.2316920), wk = 0.0017331 k( 23) = ( 0.0000000 0.0000000 0.2427249), wk = 0.0017331 k( 24) = ( 0.0000000 0.0000000 0.2537579), wk = 0.0017331 k( 25) = ( 0.0000000 0.0000000 0.2647908), wk = 0.0017331 k( 26) = ( 0.0000000 0.0000000 0.2758238), wk = 0.0017331 k( 27) = ( 0.0000000 0.0000000 0.2868567), wk = 0.0017331 k( 28) = ( 0.0000000 0.0000000 0.2978897), wk = 0.0017331 k( 29) = ( 0.0000000 0.0000000 0.3089227), wk = 0.0017331 k( 30) = ( 0.0000000 0.0000000 0.3199556), wk = 0.0017331 k( 31) = ( 0.0000000 0.0000000 0.3309886), wk = 0.0017331 k( 32) = ( 0.0000000 0.0000000 0.3420215), wk = 0.0017331 k( 33) = ( 0.0000000 0.0000000 0.3530545), wk = 0.0017331 k( 34) = ( 0.0000000 0.0000000 0.3640874), wk = 0.0017331 k( 35) = ( 0.0000000 0.0000000 0.3751204), wk = 0.0017331 k( 36) = ( 0.0000000 0.0000000 0.3861533), wk = 0.0017331 k( 37) = ( 0.0000000 0.0000000 0.3971863), wk = 0.0017331 k( 38) = ( 0.0000000 0.0000000 0.4082192), wk = 0.0017331 k( 39) = ( 0.0000000 0.0000000 0.4192522), wk = 0.0017331 k( 40) = ( 0.0000000 0.0000000 0.4302851), wk = 0.0017331 k( 41) = ( 0.0000000 0.0000000 0.4413181), wk = 0.0017331 k( 42) = ( 0.0000000 0.0000000 0.4523510), wk = 0.0017331 k( 43) = ( 0.0000000 0.0000000 0.4633840), wk = 0.0017331 k( 44) = ( 0.0000000 0.0000000 0.4744169), wk = 0.0017331 k( 45) = ( 0.0000000 0.0000000 0.4854499), wk = 0.0017331 k( 46) = ( 0.0000000 0.0000000 0.4964828), wk = 0.0017331 k( 47) = ( 0.0000000 0.0000000 0.5075158), wk = 0.0017331 k( 48) = ( 0.0000000 0.0000000 0.5185487), wk = 0.0017331 k( 49) = ( 0.0000000 0.0000000 0.5295817), wk = 0.0017331 k( 50) = ( 0.0000000 0.0000000 0.5406146), wk = 0.0017331 k( 51) = ( 0.0000000 0.0000000 0.5516476), wk = 0.0017331 k( 52) = ( 0.0000000 0.0000000 0.5626805), wk = 0.0017331 k( 53) = ( 0.0000000 0.0000000 0.5737135), wk = 0.0017331 k( 54) = ( 0.0000000 0.0000000 0.5847464), wk = 0.0017331 k( 55) = ( 0.0000000 0.0000000 0.5957794), wk = 0.0017331 k( 56) = ( 0.0000000 0.0000000 0.6068123), wk = 0.0017331 k( 57) = ( 0.0000000 0.0000000 0.6178453), wk = 0.0017331 k( 58) = ( 0.0000000 0.0000000 0.6288783), wk = 0.0017331 k( 59) = ( 0.0000000 0.0000000 0.6399112), wk = 0.0017331 k( 60) = ( 0.0000000 0.0000000 0.6509442), wk = 0.0017331 k( 61) = ( 0.0000000 0.0000000 0.6619771), wk = 0.0017331 k( 62) = ( 0.0000000 0.0000000 0.6730101), wk = 0.0017331 k( 63) = ( 0.0000000 0.0000000 0.6840430), wk = 0.0017331 k( 64) = ( 0.0000000 0.0000000 0.6950760), wk = 0.0017331 k( 65) = ( 0.0000000 0.0000000 0.7061089), wk = 0.0017331 k( 66) = ( 0.0000000 0.0000000 0.7171419), wk = 0.0017331 k( 67) = ( 0.0000000 0.0000000 0.7281748), wk = 0.0017331 k( 68) = ( 0.0000000 0.0000000 0.7392078), wk = 0.0017331 k( 69) = ( 0.0000000 0.0000000 0.7502407), wk = 0.0017331 k( 70) = ( 0.0000000 0.0000000 0.7612737), wk = 0.0017331 k( 71) = ( 0.0000000 0.0000000 0.7723066), wk = 0.0017331 k( 72) = ( 0.0000000 0.0000000 0.7833396), wk = 0.0017331 k( 73) = ( 0.0000000 0.0000000 0.7943725), wk = 0.0017331 k( 74) = ( 0.0000000 0.0000000 0.8054055), wk = 0.0017331 k( 75) = ( 0.0000000 0.0000000 0.8164384), wk = 0.0017331 k( 76) = ( 0.0000000 0.0000000 0.8274714), wk = 0.0017331 k( 77) = ( 0.0000000 0.0000000 0.8385043), wk = 0.0017331 k( 78) = ( 0.0000000 0.0000000 0.8495373), wk = 0.0017331 k( 79) = ( 0.0000000 0.0000000 0.8605702), wk = 0.0017331 k( 80) = ( 0.0000000 0.0000000 0.8716032), wk = 0.0017331 k( 81) = ( 0.0000000 0.0000000 0.8826361), wk = 0.0017331 k( 82) = ( 0.0000000 0.0000000 0.8936691), wk = 0.0017331 k( 83) = ( 0.0000000 0.0000000 0.9047020), wk = 0.0017331 k( 84) = ( 0.0000000 0.0000000 0.9157350), wk = 0.0017331 k( 85) = ( 0.0000000 0.0000000 0.9267679), wk = 0.0017331 k( 86) = ( 0.0000000 0.0000000 0.9378009), wk = 0.0017331 k( 87) = ( 0.0000000 0.0000000 0.9488338), wk = 0.0017331 k( 88) = ( 0.0000000 0.0000000 0.9598668), wk = 0.0017331 k( 89) = ( 0.0000000 0.0000000 0.9708997), wk = 0.0017331 k( 90) = ( 0.0000000 0.0000000 0.9819327), wk = 0.0017331 k( 91) = ( 0.0000000 0.0000000 0.9929656), wk = 0.0017331 k( 92) = ( 0.0000000 0.0000000 0.9929656), wk = 0.0017331 k( 93) = ( -0.0053075 0.0091066 0.9929656), wk = 0.0017331 k( 94) = ( -0.0106151 0.0182132 0.9929656), wk = 0.0017331 k( 95) = ( -0.0159226 0.0273198 0.9929656), wk = 0.0017331 k( 96) = ( -0.0212302 0.0364264 0.9929656), wk = 0.0017331 k( 97) = ( -0.0265377 0.0455331 0.9929656), wk = 0.0017331 k( 98) = ( -0.0318453 0.0546397 0.9929656), wk = 0.0017331 k( 99) = ( -0.0371528 0.0637463 0.9929656), wk = 0.0017331 k( 100) = ( -0.0424604 0.0728529 0.9929656), wk = 0.0017331 k( 101) = ( -0.0477679 0.0819595 0.9929656), wk = 0.0017331 k( 102) = ( -0.0530754 0.0910661 0.9929656), wk = 0.0017331 k( 103) = ( -0.0583830 0.1001727 0.9929656), wk = 0.0017331 k( 104) = ( -0.0636905 0.1092793 0.9929656), wk = 0.0017331 k( 105) = ( -0.0689981 0.1183860 0.9929656), wk = 0.0017331 k( 106) = ( -0.0743056 0.1274926 0.9929656), wk = 0.0017331 k( 107) = ( -0.0796131 0.1365992 0.9929656), wk = 0.0017331 k( 108) = ( -0.0849207 0.1457058 0.9929656), wk = 0.0017331 k( 109) = ( -0.0849207 0.1457058 0.9929656), wk = 0.0017331 k( 110) = ( -0.0888365 0.1524245 0.9851891), wk = 0.0017331 k( 111) = ( -0.0927524 0.1591433 0.9774125), wk = 0.0017331 k( 112) = ( -0.0966682 0.1658620 0.9696359), wk = 0.0017331 k( 113) = ( -0.1005841 0.1725808 0.9618593), wk = 0.0017331 k( 114) = ( -0.1044999 0.1792995 0.9540827), wk = 0.0017331 k( 115) = ( -0.1084158 0.1860183 0.9463061), wk = 0.0017331 k( 116) = ( -0.1123316 0.1927370 0.9385295), wk = 0.0017331 k( 117) = ( -0.1162474 0.1994558 0.9307529), wk = 0.0017331 k( 118) = ( -0.1201633 0.2061745 0.9229763), wk = 0.0017331 k( 119) = ( -0.1240791 0.2128933 0.9151997), wk = 0.0017331 k( 120) = ( -0.1279950 0.2196120 0.9074231), wk = 0.0017331 k( 121) = ( -0.1319108 0.2263308 0.8996465), wk = 0.0017331 k( 122) = ( -0.1358266 0.2330495 0.8918699), wk = 0.0017331 k( 123) = ( -0.1397425 0.2397683 0.8840933), wk = 0.0017331 k( 124) = ( -0.1436583 0.2464870 0.8763167), wk = 0.0017331 k( 125) = ( -0.1475742 0.2532058 0.8685401), wk = 0.0017331 k( 126) = ( -0.1514900 0.2599245 0.8607636), wk = 0.0017331 k( 127) = ( -0.1554059 0.2666433 0.8529870), wk = 0.0017331 k( 128) = ( -0.1593217 0.2733620 0.8452104), wk = 0.0017331 k( 129) = ( -0.1632376 0.2800808 0.8374338), wk = 0.0017331 k( 130) = ( -0.1671534 0.2867995 0.8296572), wk = 0.0017331 k( 131) = ( -0.1710692 0.2935183 0.8218806), wk = 0.0017331 k( 132) = ( -0.1749851 0.3002370 0.8141040), wk = 0.0017331 k( 133) = ( -0.1789009 0.3069558 0.8063274), wk = 0.0017331 k( 134) = ( -0.1828168 0.3136745 0.7985508), wk = 0.0017331 k( 135) = ( -0.1867326 0.3203933 0.7907742), wk = 0.0017331 k( 136) = ( -0.1906484 0.3271120 0.7829976), wk = 0.0017331 k( 137) = ( -0.1945643 0.3338308 0.7752210), wk = 0.0017331 k( 138) = ( -0.1984801 0.3405495 0.7674444), wk = 0.0017331 k( 139) = ( -0.2023960 0.3472683 0.7596678), wk = 0.0017331 k( 140) = ( -0.2063118 0.3539870 0.7518912), wk = 0.0017331 k( 141) = ( -0.2102277 0.3607058 0.7441146), wk = 0.0017331 k( 142) = ( -0.2141435 0.3674245 0.7363380), wk = 0.0017331 k( 143) = ( -0.2180593 0.3741433 0.7285615), wk = 0.0017331 k( 144) = ( -0.2219752 0.3808620 0.7207848), wk = 0.0017331 k( 145) = ( -0.2258910 0.3875808 0.7130083), wk = 0.0017331 k( 146) = ( -0.2298069 0.3942995 0.7052317), wk = 0.0017331 k( 147) = ( -0.2337227 0.4010183 0.6974551), wk = 0.0017331 k( 148) = ( -0.2376386 0.4077370 0.6896785), wk = 0.0017331 k( 149) = ( -0.2415544 0.4144558 0.6819019), wk = 0.0017331 k( 150) = ( -0.2454702 0.4211745 0.6741253), wk = 0.0017331 k( 151) = ( -0.2493861 0.4278933 0.6663487), wk = 0.0017331 k( 152) = ( -0.2533019 0.4346120 0.6585721), wk = 0.0017331 k( 153) = ( -0.2572178 0.4413308 0.6507955), wk = 0.0017331 k( 154) = ( -0.2611336 0.4480495 0.6430189), wk = 0.0017331 k( 155) = ( -0.2650495 0.4547683 0.6352423), wk = 0.0017331 k( 156) = ( -0.2689653 0.4614870 0.6274657), wk = 0.0017331 k( 157) = ( -0.2728811 0.4682058 0.6196891), wk = 0.0017331 k( 158) = ( -0.2767970 0.4749245 0.6119125), wk = 0.0017331 k( 159) = ( -0.2807128 0.4816433 0.6041359), wk = 0.0017331 k( 160) = ( -0.2846287 0.4883620 0.5963593), wk = 0.0017331 k( 161) = ( -0.2885445 0.4950808 0.5885828), wk = 0.0017331 k( 162) = ( -0.2924603 0.5017995 0.5808062), wk = 0.0017331 k( 163) = ( -0.2924603 0.5017995 0.5808062), wk = 0.0017331 k( 164) = ( -0.2885609 0.4951088 0.5730621), wk = 0.0017331 k( 165) = ( -0.2846614 0.4884182 0.5653180), wk = 0.0017331 k( 166) = ( -0.2807619 0.4817275 0.5575739), wk = 0.0017331 k( 167) = ( -0.2768625 0.4750369 0.5498298), wk = 0.0017331 k( 168) = ( -0.2729630 0.4683462 0.5420857), wk = 0.0017331 k( 169) = ( -0.2690635 0.4616555 0.5343417), wk = 0.0017331 k( 170) = ( -0.2651640 0.4549649 0.5265976), wk = 0.0017331 k( 171) = ( -0.2612646 0.4482742 0.5188535), wk = 0.0017331 k( 172) = ( -0.2573651 0.4415836 0.5111094), wk = 0.0017331 k( 173) = ( -0.2534656 0.4348929 0.5033653), wk = 0.0017331 k( 174) = ( -0.2495662 0.4282022 0.4956212), wk = 0.0017331 k( 175) = ( -0.2456667 0.4215116 0.4878772), wk = 0.0017331 k( 176) = ( -0.2417672 0.4148209 0.4801331), wk = 0.0017331 k( 177) = ( -0.2378677 0.4081303 0.4723890), wk = 0.0017331 k( 178) = ( -0.2339683 0.4014396 0.4646449), wk = 0.0017331 k( 179) = ( -0.2300688 0.3947489 0.4569009), wk = 0.0017331 k( 180) = ( -0.2261693 0.3880583 0.4491568), wk = 0.0017331 k( 181) = ( -0.2222699 0.3813676 0.4414127), wk = 0.0017331 k( 182) = ( -0.2183704 0.3746770 0.4336686), wk = 0.0017331 k( 183) = ( -0.2144709 0.3679863 0.4259245), wk = 0.0017331 k( 184) = ( -0.2105714 0.3612956 0.4181804), wk = 0.0017331 k( 185) = ( -0.2066720 0.3546050 0.4104364), wk = 0.0017331 k( 186) = ( -0.2027725 0.3479143 0.4026923), wk = 0.0017331 k( 187) = ( -0.1988730 0.3412237 0.3949482), wk = 0.0017331 k( 188) = ( -0.1949736 0.3345330 0.3872041), wk = 0.0017331 k( 189) = ( -0.1910741 0.3278423 0.3794600), wk = 0.0017331 k( 190) = ( -0.1871746 0.3211517 0.3717159), wk = 0.0017331 k( 191) = ( -0.1832751 0.3144610 0.3639719), wk = 0.0017331 k( 192) = ( -0.1793757 0.3077704 0.3562278), wk = 0.0017331 k( 193) = ( -0.1754762 0.3010797 0.3484837), wk = 0.0017331 k( 194) = ( -0.1715767 0.2943890 0.3407396), wk = 0.0017331 k( 195) = ( -0.1676773 0.2876984 0.3329955), wk = 0.0017331 k( 196) = ( -0.1637778 0.2810077 0.3252514), wk = 0.0017331 k( 197) = ( -0.1598783 0.2743171 0.3175074), wk = 0.0017331 k( 198) = ( -0.1559789 0.2676264 0.3097633), wk = 0.0017331 k( 199) = ( -0.1520794 0.2609357 0.3020192), wk = 0.0017331 k( 200) = ( -0.1481799 0.2542451 0.2942751), wk = 0.0017331 k( 201) = ( -0.1442804 0.2475544 0.2865310), wk = 0.0017331 k( 202) = ( -0.1403810 0.2408638 0.2787870), wk = 0.0017331 k( 203) = ( -0.1364815 0.2341731 0.2710429), wk = 0.0017331 k( 204) = ( -0.1325820 0.2274824 0.2632988), wk = 0.0017331 k( 205) = ( -0.1286826 0.2207918 0.2555547), wk = 0.0017331 k( 206) = ( -0.1247831 0.2141011 0.2478106), wk = 0.0017331 k( 207) = ( -0.1208836 0.2074105 0.2400665), wk = 0.0017331 k( 208) = ( -0.1169841 0.2007198 0.2323225), wk = 0.0017331 k( 209) = ( -0.1130847 0.1940291 0.2245784), wk = 0.0017331 k( 210) = ( -0.1091852 0.1873385 0.2168343), wk = 0.0017331 k( 211) = ( -0.1052857 0.1806478 0.2090902), wk = 0.0017331 k( 212) = ( -0.1013862 0.1739572 0.2013461), wk = 0.0017331 k( 213) = ( -0.0974868 0.1672665 0.1936020), wk = 0.0017331 k( 214) = ( -0.0935873 0.1605758 0.1858580), wk = 0.0017331 k( 215) = ( -0.0896878 0.1538852 0.1781139), wk = 0.0017331 k( 216) = ( -0.0857884 0.1471945 0.1703698), wk = 0.0017331 k( 217) = ( -0.0818889 0.1405039 0.1626257), wk = 0.0017331 k( 218) = ( -0.0779894 0.1338132 0.1548816), wk = 0.0017331 k( 219) = ( -0.0740900 0.1271225 0.1471376), wk = 0.0017331 k( 220) = ( -0.0701905 0.1204319 0.1393935), wk = 0.0017331 k( 221) = ( -0.0662910 0.1137412 0.1316494), wk = 0.0017331 k( 222) = ( -0.0623915 0.1070506 0.1239053), wk = 0.0017331 k( 223) = ( -0.0584921 0.1003599 0.1161612), wk = 0.0017331 k( 224) = ( -0.0545926 0.0936692 0.1084172), wk = 0.0017331 k( 225) = ( -0.0506931 0.0869786 0.1006731), wk = 0.0017331 k( 226) = ( -0.0467937 0.0802879 0.0929290), wk = 0.0017331 k( 227) = ( -0.0428942 0.0735973 0.0851849), wk = 0.0017331 k( 228) = ( -0.0389947 0.0669066 0.0774408), wk = 0.0017331 k( 229) = ( -0.0350952 0.0602159 0.0696967), wk = 0.0017331 k( 230) = ( -0.0311958 0.0535253 0.0619527), wk = 0.0017331 k( 231) = ( -0.0272963 0.0468346 0.0542086), wk = 0.0017331 k( 232) = ( -0.0233968 0.0401440 0.0464645), wk = 0.0017331 k( 233) = ( -0.0194974 0.0334533 0.0387204), wk = 0.0017331 k( 234) = ( -0.0155979 0.0267626 0.0309763), wk = 0.0017331 k( 235) = ( -0.0116984 0.0200720 0.0232322), wk = 0.0017331 k( 236) = ( -0.0077989 0.0133813 0.0154882), wk = 0.0017331 k( 237) = ( -0.0038995 0.0066907 0.0077441), wk = 0.0017331 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 240) = ( 0.0094340 0.0054983 0.0000000), wk = 0.0017331 k( 241) = ( 0.0188679 0.0109967 0.0000000), wk = 0.0017331 k( 242) = ( 0.0283019 0.0164950 -0.0000000), wk = 0.0017331 k( 243) = ( 0.0377359 0.0219933 0.0000000), wk = 0.0017331 k( 244) = ( 0.0471698 0.0274917 -0.0000000), wk = 0.0017331 k( 245) = ( 0.0566038 0.0329900 -0.0000000), wk = 0.0017331 k( 246) = ( 0.0660377 0.0384883 0.0000000), wk = 0.0017331 k( 247) = ( 0.0754717 0.0439867 0.0000000), wk = 0.0017331 k( 248) = ( 0.0849057 0.0494850 -0.0000000), wk = 0.0017331 k( 249) = ( 0.0943396 0.0549833 -0.0000000), wk = 0.0017331 k( 250) = ( 0.1037736 0.0604816 -0.0000000), wk = 0.0017331 k( 251) = ( 0.1132076 0.0659800 -0.0000000), wk = 0.0017331 k( 252) = ( 0.1226415 0.0714783 -0.0000000), wk = 0.0017331 k( 253) = ( 0.1320755 0.0769766 0.0000000), wk = 0.0017331 k( 254) = ( 0.1415094 0.0824750 -0.0000000), wk = 0.0017331 k( 255) = ( 0.1509434 0.0879733 0.0000000), wk = 0.0017331 k( 256) = ( 0.1603774 0.0934716 -0.0000000), wk = 0.0017331 k( 257) = ( 0.1698113 0.0989700 -0.0000000), wk = 0.0017331 k( 258) = ( 0.1792453 0.1044683 -0.0000000), wk = 0.0017331 k( 259) = ( 0.1886792 0.1099666 -0.0000000), wk = 0.0017331 k( 260) = ( 0.1981132 0.1154650 -0.0000000), wk = 0.0017331 k( 261) = ( 0.2075472 0.1209633 -0.0000000), wk = 0.0017331 k( 262) = ( 0.2169811 0.1264616 -0.0000000), wk = 0.0017331 k( 263) = ( 0.2264151 0.1319599 -0.0000000), wk = 0.0017331 k( 264) = ( 0.2358491 0.1374583 -0.0000000), wk = 0.0017331 k( 265) = ( 0.2452830 0.1429566 -0.0000000), wk = 0.0017331 k( 266) = ( 0.2547170 0.1484549 -0.0000000), wk = 0.0017331 k( 267) = ( 0.2641509 0.1539533 0.0000000), wk = 0.0017331 k( 268) = ( 0.2735849 0.1594516 -0.0000000), wk = 0.0017331 k( 269) = ( 0.2830189 0.1649499 -0.0000000), wk = 0.0017331 k( 270) = ( 0.2924528 0.1704483 -0.0000000), wk = 0.0017331 k( 271) = ( 0.3018868 0.1759466 -0.0000000), wk = 0.0017331 k( 272) = ( 0.3113207 0.1814449 -0.0000000), wk = 0.0017331 k( 273) = ( 0.3207547 0.1869433 -0.0000000), wk = 0.0017331 k( 274) = ( 0.3301887 0.1924416 -0.0000000), wk = 0.0017331 k( 275) = ( 0.3396226 0.1979399 -0.0000000), wk = 0.0017331 k( 276) = ( 0.3490566 0.2034383 -0.0000000), wk = 0.0017331 k( 277) = ( 0.3584906 0.2089366 -0.0000000), wk = 0.0017331 k( 278) = ( 0.3679245 0.2144349 -0.0000000), wk = 0.0017331 k( 279) = ( 0.3773585 0.2199333 -0.0000000), wk = 0.0017331 k( 280) = ( 0.3867925 0.2254316 -0.0000000), wk = 0.0017331 k( 281) = ( 0.3962264 0.2309299 -0.0000000), wk = 0.0017331 k( 282) = ( 0.4056604 0.2364282 -0.0000000), wk = 0.0017331 k( 283) = ( 0.4150943 0.2419266 -0.0000000), wk = 0.0017331 k( 284) = ( 0.4245283 0.2474249 -0.0000000), wk = 0.0017331 k( 285) = ( 0.4339623 0.2529232 -0.0000000), wk = 0.0017331 k( 286) = ( 0.4433962 0.2584216 -0.0000000), wk = 0.0017331 k( 287) = ( 0.4528302 0.2639199 -0.0000000), wk = 0.0017331 k( 288) = ( 0.4622641 0.2694182 -0.0000000), wk = 0.0017331 k( 289) = ( 0.4716981 0.2749166 -0.0000000), wk = 0.0017331 k( 290) = ( 0.4811321 0.2804149 -0.0000000), wk = 0.0017331 k( 291) = ( 0.4905660 0.2859132 -0.0000000), wk = 0.0017331 k( 292) = ( 0.5000000 0.2914116 -0.0000000), wk = 0.0017331 k( 293) = ( 0.5000000 0.2914116 -0.0000000), wk = 0.0017331 k( 294) = ( 0.4960842 0.2981303 0.0077766), wk = 0.0017331 k( 295) = ( 0.4921683 0.3048490 0.0155532), wk = 0.0017331 k( 296) = ( 0.4882525 0.3115678 0.0233298), wk = 0.0017331 k( 297) = ( 0.4843366 0.3182866 0.0311064), wk = 0.0017331 k( 298) = ( 0.4804208 0.3250053 0.0388830), wk = 0.0017331 k( 299) = ( 0.4765049 0.3317240 0.0466596), wk = 0.0017331 k( 300) = ( 0.4725891 0.3384428 0.0544362), wk = 0.0017331 k( 301) = ( 0.4686733 0.3451616 0.0622128), wk = 0.0017331 k( 302) = ( 0.4647574 0.3518803 0.0699893), wk = 0.0017331 k( 303) = ( 0.4608416 0.3585990 0.0777659), wk = 0.0017331 k( 304) = ( 0.4569257 0.3653178 0.0855425), wk = 0.0017331 k( 305) = ( 0.4530099 0.3720366 0.0933191), wk = 0.0017331 k( 306) = ( 0.4490941 0.3787553 0.1010957), wk = 0.0017331 k( 307) = ( 0.4451782 0.3854740 0.1088723), wk = 0.0017331 k( 308) = ( 0.4412624 0.3921928 0.1166489), wk = 0.0017331 k( 309) = ( 0.4373465 0.3989115 0.1244255), wk = 0.0017331 k( 310) = ( 0.4334307 0.4056303 0.1322021), wk = 0.0017331 k( 311) = ( 0.4295148 0.4123490 0.1399787), wk = 0.0017331 k( 312) = ( 0.4255990 0.4190678 0.1477553), wk = 0.0017331 k( 313) = ( 0.4216832 0.4257865 0.1555319), wk = 0.0017331 k( 314) = ( 0.4177673 0.4325053 0.1633085), wk = 0.0017331 k( 315) = ( 0.4138515 0.4392240 0.1710851), wk = 0.0017331 k( 316) = ( 0.4099356 0.4459428 0.1788617), wk = 0.0017331 k( 317) = ( 0.4060198 0.4526615 0.1866383), wk = 0.0017331 k( 318) = ( 0.4021039 0.4593803 0.1944148), wk = 0.0017331 k( 319) = ( 0.3981881 0.4660990 0.2021914), wk = 0.0017331 k( 320) = ( 0.3942722 0.4728178 0.2099680), wk = 0.0017331 k( 321) = ( 0.3903564 0.4795365 0.2177446), wk = 0.0017331 k( 322) = ( 0.3864406 0.4862553 0.2255212), wk = 0.0017331 k( 323) = ( 0.3825247 0.4929740 0.2332978), wk = 0.0017331 k( 324) = ( 0.3786089 0.4996928 0.2410744), wk = 0.0017331 k( 325) = ( 0.3746930 0.5064115 0.2488510), wk = 0.0017331 k( 326) = ( 0.3707772 0.5131303 0.2566276), wk = 0.0017331 k( 327) = ( 0.3668614 0.5198490 0.2644042), wk = 0.0017331 k( 328) = ( 0.3629455 0.5265678 0.2721808), wk = 0.0017331 k( 329) = ( 0.3590297 0.5332865 0.2799574), wk = 0.0017331 k( 330) = ( 0.3551138 0.5400053 0.2877340), wk = 0.0017331 k( 331) = ( 0.3511980 0.5467240 0.2955106), wk = 0.0017331 k( 332) = ( 0.3472821 0.5534428 0.3032872), wk = 0.0017331 k( 333) = ( 0.3433663 0.5601615 0.3110638), wk = 0.0017331 k( 334) = ( 0.3394505 0.5668803 0.3188404), wk = 0.0017331 k( 335) = ( 0.3355346 0.5735990 0.3266169), wk = 0.0017331 k( 336) = ( 0.3316188 0.5803178 0.3343936), wk = 0.0017331 k( 337) = ( 0.3277029 0.5870365 0.3421701), wk = 0.0017331 k( 338) = ( 0.3237871 0.5937553 0.3499467), wk = 0.0017331 k( 339) = ( 0.3198712 0.6004740 0.3577233), wk = 0.0017331 k( 340) = ( 0.3159554 0.6071928 0.3654999), wk = 0.0017331 k( 341) = ( 0.3120396 0.6139115 0.3732765), wk = 0.0017331 k( 342) = ( 0.3081237 0.6206303 0.3810531), wk = 0.0017331 k( 343) = ( 0.3042079 0.6273490 0.3888297), wk = 0.0017331 k( 344) = ( 0.3002920 0.6340678 0.3966063), wk = 0.0017331 k( 345) = ( 0.2963762 0.6407865 0.4043829), wk = 0.0017331 k( 346) = ( 0.2924603 0.6475053 0.4121595), wk = 0.0017331 k( 347) = ( 0.2924603 0.6475053 0.4121595), wk = 0.0017331 k( 348) = ( 0.2823755 0.6449931 0.4150672), wk = 0.0017331 k( 349) = ( 0.2722907 0.6424809 0.4179749), wk = 0.0017331 k( 350) = ( 0.2622058 0.6399688 0.4208826), wk = 0.0017331 k( 351) = ( 0.2521210 0.6374566 0.4237903), wk = 0.0017331 k( 352) = ( 0.2420362 0.6349444 0.4266980), wk = 0.0017331 k( 353) = ( 0.2319513 0.6324323 0.4296057), wk = 0.0017331 k( 354) = ( 0.2218665 0.6299201 0.4325134), wk = 0.0017331 k( 355) = ( 0.2117816 0.6274079 0.4354211), wk = 0.0017331 k( 356) = ( 0.2016968 0.6248958 0.4383288), wk = 0.0017331 k( 357) = ( 0.1916120 0.6223836 0.4412365), wk = 0.0017331 k( 358) = ( 0.1815271 0.6198714 0.4441442), wk = 0.0017331 k( 359) = ( 0.1714423 0.6173593 0.4470519), wk = 0.0017331 k( 360) = ( 0.1613574 0.6148471 0.4499596), wk = 0.0017331 k( 361) = ( 0.1512726 0.6123349 0.4528673), wk = 0.0017331 k( 362) = ( 0.1411878 0.6098228 0.4557750), wk = 0.0017331 k( 363) = ( 0.1311029 0.6073106 0.4586827), wk = 0.0017331 k( 364) = ( 0.1210181 0.6047984 0.4615904), wk = 0.0017331 k( 365) = ( 0.1109332 0.6022862 0.4644981), wk = 0.0017331 k( 366) = ( 0.1008484 0.5997741 0.4674058), wk = 0.0017331 k( 367) = ( 0.0907636 0.5972619 0.4703135), wk = 0.0017331 k( 368) = ( 0.0806787 0.5947497 0.4732212), wk = 0.0017331 k( 369) = ( 0.0705939 0.5922376 0.4761289), wk = 0.0017331 k( 370) = ( 0.0605090 0.5897254 0.4790366), wk = 0.0017331 k( 371) = ( 0.0504242 0.5872132 0.4819443), wk = 0.0017331 k( 372) = ( 0.0403394 0.5847011 0.4848520), wk = 0.0017331 k( 373) = ( 0.0302545 0.5821889 0.4877597), wk = 0.0017331 k( 374) = ( 0.0201697 0.5796767 0.4906674), wk = 0.0017331 k( 375) = ( 0.0100848 0.5771646 0.4935751), wk = 0.0017331 k( 376) = ( 0.0000000 0.5746524 0.4964828), wk = 0.0017331 k( 377) = ( 0.0000000 0.5746524 0.4964828), wk = 0.0017331 k( 378) = ( 0.0039062 0.5679501 0.5042404), wk = 0.0017331 k( 379) = ( 0.0078125 0.5612478 0.5119979), wk = 0.0017331 k( 380) = ( 0.0117188 0.5545455 0.5197555), wk = 0.0017331 k( 381) = ( 0.0156250 0.5478432 0.5275130), wk = 0.0017331 k( 382) = ( 0.0195312 0.5411409 0.5352705), wk = 0.0017331 k( 383) = ( 0.0234375 0.5344386 0.5430281), wk = 0.0017331 k( 384) = ( 0.0273438 0.5277364 0.5507856), wk = 0.0017331 k( 385) = ( 0.0312500 0.5210341 0.5585432), wk = 0.0017331 k( 386) = ( 0.0351562 0.5143318 0.5663007), wk = 0.0017331 k( 387) = ( 0.0390625 0.5076295 0.5740583), wk = 0.0017331 k( 388) = ( 0.0429688 0.5009272 0.5818158), wk = 0.0017331 k( 389) = ( 0.0468750 0.4942249 0.5895734), wk = 0.0017331 k( 390) = ( 0.0507812 0.4875226 0.5973309), wk = 0.0017331 k( 391) = ( 0.0546875 0.4808203 0.6050884), wk = 0.0017331 k( 392) = ( 0.0585938 0.4741180 0.6128460), wk = 0.0017331 k( 393) = ( 0.0625000 0.4674157 0.6206035), wk = 0.0017331 k( 394) = ( 0.0664062 0.4607134 0.6283611), wk = 0.0017331 k( 395) = ( 0.0703125 0.4540112 0.6361186), wk = 0.0017331 k( 396) = ( 0.0742188 0.4473089 0.6438762), wk = 0.0017331 k( 397) = ( 0.0781250 0.4406066 0.6516337), wk = 0.0017331 k( 398) = ( 0.0820312 0.4339043 0.6593913), wk = 0.0017331 k( 399) = ( 0.0859375 0.4272020 0.6671488), wk = 0.0017331 k( 400) = ( 0.0898438 0.4204997 0.6749063), wk = 0.0017331 k( 401) = ( 0.0937500 0.4137974 0.6826639), wk = 0.0017331 k( 402) = ( 0.0976562 0.4070951 0.6904214), wk = 0.0017331 k( 403) = ( 0.1015625 0.4003928 0.6981790), wk = 0.0017331 k( 404) = ( 0.1054688 0.3936905 0.7059365), wk = 0.0017331 k( 405) = ( 0.1093750 0.3869882 0.7136941), wk = 0.0017331 k( 406) = ( 0.1132812 0.3802860 0.7214516), wk = 0.0017331 k( 407) = ( 0.1171875 0.3735837 0.7292091), wk = 0.0017331 k( 408) = ( 0.1210938 0.3668814 0.7369667), wk = 0.0017331 k( 409) = ( 0.1250000 0.3601791 0.7447242), wk = 0.0017331 k( 410) = ( 0.1289062 0.3534768 0.7524818), wk = 0.0017331 k( 411) = ( 0.1328125 0.3467745 0.7602393), wk = 0.0017331 k( 412) = ( 0.1367188 0.3400722 0.7679969), wk = 0.0017331 k( 413) = ( 0.1406250 0.3333699 0.7757544), wk = 0.0017331 k( 414) = ( 0.1445312 0.3266676 0.7835120), wk = 0.0017331 k( 415) = ( 0.1484375 0.3199653 0.7912695), wk = 0.0017331 k( 416) = ( 0.1523438 0.3132630 0.7990270), wk = 0.0017331 k( 417) = ( 0.1562500 0.3065608 0.8067846), wk = 0.0017331 k( 418) = ( 0.1601562 0.2998585 0.8145421), wk = 0.0017331 k( 419) = ( 0.1640625 0.2931562 0.8222997), wk = 0.0017331 k( 420) = ( 0.1679688 0.2864539 0.8300572), wk = 0.0017331 k( 421) = ( 0.1718750 0.2797516 0.8378148), wk = 0.0017331 k( 422) = ( 0.1757812 0.2730493 0.8455723), wk = 0.0017331 k( 423) = ( 0.1796875 0.2663470 0.8533299), wk = 0.0017331 k( 424) = ( 0.1835938 0.2596447 0.8610874), wk = 0.0017331 k( 425) = ( 0.1875000 0.2529424 0.8688449), wk = 0.0017331 k( 426) = ( 0.1914062 0.2462401 0.8766025), wk = 0.0017331 k( 427) = ( 0.1953125 0.2395378 0.8843600), wk = 0.0017331 k( 428) = ( 0.1992188 0.2328356 0.8921176), wk = 0.0017331 k( 429) = ( 0.2031250 0.2261333 0.8998751), wk = 0.0017331 k( 430) = ( 0.2070312 0.2194310 0.9076327), wk = 0.0017331 k( 431) = ( 0.2109375 0.2127287 0.9153902), wk = 0.0017331 k( 432) = ( 0.2148438 0.2060264 0.9231478), wk = 0.0017331 k( 433) = ( 0.2187500 0.1993241 0.9309053), wk = 0.0017331 k( 434) = ( 0.2226562 0.1926218 0.9386628), wk = 0.0017331 k( 435) = ( 0.2265625 0.1859195 0.9464204), wk = 0.0017331 k( 436) = ( 0.2304688 0.1792172 0.9541779), wk = 0.0017331 k( 437) = ( 0.2343750 0.1725149 0.9619355), wk = 0.0017331 k( 438) = ( 0.2382812 0.1658127 0.9696930), wk = 0.0017331 k( 439) = ( 0.2421875 0.1591104 0.9774506), wk = 0.0017331 k( 440) = ( 0.2460938 0.1524081 0.9852081), wk = 0.0017331 k( 441) = ( 0.2500000 0.1457058 0.9929656), wk = 0.0017331 k( 442) = ( 0.2500000 0.1457058 0.9929656), wk = 0.0017331 k( 443) = ( 0.2580645 0.1504060 0.9875254), wk = 0.0017331 k( 444) = ( 0.2661290 0.1551062 0.9820852), wk = 0.0017331 k( 445) = ( 0.2741936 0.1598063 0.9766450), wk = 0.0017331 k( 446) = ( 0.2822581 0.1645065 0.9712048), wk = 0.0017331 k( 447) = ( 0.2903226 0.1692067 0.9657646), wk = 0.0017331 k( 448) = ( 0.2983871 0.1739069 0.9603244), wk = 0.0017331 k( 449) = ( 0.3064516 0.1786071 0.9548841), wk = 0.0017331 k( 450) = ( 0.3145161 0.1833073 0.9494439), wk = 0.0017331 k( 451) = ( 0.3225807 0.1880075 0.9440037), wk = 0.0017331 k( 452) = ( 0.3306452 0.1927076 0.9385635), wk = 0.0017331 k( 453) = ( 0.3387097 0.1974078 0.9331233), wk = 0.0017331 k( 454) = ( 0.3467742 0.2021080 0.9276831), wk = 0.0017331 k( 455) = ( 0.3548387 0.2068082 0.9222429), wk = 0.0017331 k( 456) = ( 0.3629032 0.2115084 0.9168026), wk = 0.0017331 k( 457) = ( 0.3709677 0.2162086 0.9113624), wk = 0.0017331 k( 458) = ( 0.3790323 0.2209088 0.9059222), wk = 0.0017331 k( 459) = ( 0.3870968 0.2256089 0.9004820), wk = 0.0017331 k( 460) = ( 0.3951613 0.2303091 0.8950418), wk = 0.0017331 k( 461) = ( 0.4032258 0.2350093 0.8896016), wk = 0.0017331 k( 462) = ( 0.4112903 0.2397095 0.8841613), wk = 0.0017331 k( 463) = ( 0.4193548 0.2444097 0.8787211), wk = 0.0017331 k( 464) = ( 0.4274193 0.2491099 0.8732809), wk = 0.0017331 k( 465) = ( 0.4354839 0.2538101 0.8678407), wk = 0.0017331 k( 466) = ( 0.4435484 0.2585103 0.8624005), wk = 0.0017331 k( 467) = ( 0.4516129 0.2632104 0.8569603), wk = 0.0017331 k( 468) = ( 0.4596774 0.2679106 0.8515201), wk = 0.0017331 k( 469) = ( 0.4677419 0.2726108 0.8460799), wk = 0.0017331 k( 470) = ( 0.4758064 0.2773110 0.8406396), wk = 0.0017331 k( 471) = ( 0.4838710 0.2820112 0.8351994), wk = 0.0017331 k( 472) = ( 0.4919355 0.2867114 0.8297592), wk = 0.0017331 k( 473) = ( 0.5000000 0.2914116 0.8243190), wk = 0.0017331 k( 474) = ( 0.5000000 0.2914116 0.8243190), wk = 0.0017331 k( 475) = ( 0.5000000 0.2914116 0.8133281), wk = 0.0017331 k( 476) = ( 0.5000000 0.2914116 0.8023371), wk = 0.0017331 k( 477) = ( 0.5000000 0.2914116 0.7913462), wk = 0.0017331 k( 478) = ( 0.5000000 0.2914116 0.7803553), wk = 0.0017331 k( 479) = ( 0.5000000 0.2914116 0.7693644), wk = 0.0017331 k( 480) = ( 0.5000000 0.2914116 0.7583735), wk = 0.0017331 k( 481) = ( 0.5000000 0.2914116 0.7473825), wk = 0.0017331 k( 482) = ( 0.5000000 0.2914116 0.7363916), wk = 0.0017331 k( 483) = ( 0.5000000 0.2914116 0.7254007), wk = 0.0017331 k( 484) = ( 0.5000000 0.2914116 0.7144098), wk = 0.0017331 k( 485) = ( 0.5000000 0.2914116 0.7034189), wk = 0.0017331 k( 486) = ( 0.5000000 0.2914116 0.6924280), wk = 0.0017331 k( 487) = ( 0.5000000 0.2914116 0.6814370), wk = 0.0017331 k( 488) = ( 0.5000000 0.2914116 0.6704461), wk = 0.0017331 k( 489) = ( 0.5000000 0.2914116 0.6594552), wk = 0.0017331 k( 490) = ( 0.5000000 0.2914116 0.6484643), wk = 0.0017331 k( 491) = ( 0.5000000 0.2914116 0.6374733), wk = 0.0017331 k( 492) = ( 0.5000000 0.2914116 0.6264824), wk = 0.0017331 k( 493) = ( 0.5000000 0.2914116 0.6154915), wk = 0.0017331 k( 494) = ( 0.5000000 0.2914116 0.6045006), wk = 0.0017331 k( 495) = ( 0.5000000 0.2914116 0.5935097), wk = 0.0017331 k( 496) = ( 0.5000000 0.2914116 0.5825187), wk = 0.0017331 k( 497) = ( 0.5000000 0.2914116 0.5715278), wk = 0.0017331 k( 498) = ( 0.5000000 0.2914116 0.5605369), wk = 0.0017331 k( 499) = ( 0.5000000 0.2914116 0.5495460), wk = 0.0017331 k( 500) = ( 0.5000000 0.2914116 0.5385551), wk = 0.0017331 k( 501) = ( 0.5000000 0.2914116 0.5275641), wk = 0.0017331 k( 502) = ( 0.5000000 0.2914116 0.5165732), wk = 0.0017331 k( 503) = ( 0.5000000 0.2914116 0.5055823), wk = 0.0017331 k( 504) = ( 0.5000000 0.2914116 0.4945914), wk = 0.0017331 k( 505) = ( 0.5000000 0.2914116 0.4836005), wk = 0.0017331 k( 506) = ( 0.5000000 0.2914116 0.4726095), wk = 0.0017331 k( 507) = ( 0.5000000 0.2914116 0.4616186), wk = 0.0017331 k( 508) = ( 0.5000000 0.2914116 0.4506277), wk = 0.0017331 k( 509) = ( 0.5000000 0.2914116 0.4396368), wk = 0.0017331 k( 510) = ( 0.5000000 0.2914116 0.4286459), wk = 0.0017331 k( 511) = ( 0.5000000 0.2914116 0.4176550), wk = 0.0017331 k( 512) = ( 0.5000000 0.2914116 0.4066640), wk = 0.0017331 k( 513) = ( 0.5000000 0.2914116 0.3956731), wk = 0.0017331 k( 514) = ( 0.5000000 0.2914116 0.3846822), wk = 0.0017331 k( 515) = ( 0.5000000 0.2914116 0.3736913), wk = 0.0017331 k( 516) = ( 0.5000000 0.2914116 0.3627003), wk = 0.0017331 k( 517) = ( 0.5000000 0.2914116 0.3517094), wk = 0.0017331 k( 518) = ( 0.5000000 0.2914116 0.3407185), wk = 0.0017331 k( 519) = ( 0.5000000 0.2914116 0.3297276), wk = 0.0017331 k( 520) = ( 0.5000000 0.2914116 0.3187367), wk = 0.0017331 k( 521) = ( 0.5000000 0.2914116 0.3077458), wk = 0.0017331 k( 522) = ( 0.5000000 0.2914116 0.2967548), wk = 0.0017331 k( 523) = ( 0.5000000 0.2914116 0.2857639), wk = 0.0017331 k( 524) = ( 0.5000000 0.2914116 0.2747730), wk = 0.0017331 k( 525) = ( 0.5000000 0.2914116 0.2637821), wk = 0.0017331 k( 526) = ( 0.5000000 0.2914116 0.2527912), wk = 0.0017331 k( 527) = ( 0.5000000 0.2914116 0.2418002), wk = 0.0017331 k( 528) = ( 0.5000000 0.2914116 0.2308093), wk = 0.0017331 k( 529) = ( 0.5000000 0.2914116 0.2198184), wk = 0.0017331 k( 530) = ( 0.5000000 0.2914116 0.2088275), wk = 0.0017331 k( 531) = ( 0.5000000 0.2914116 0.1978365), wk = 0.0017331 k( 532) = ( 0.5000000 0.2914116 0.1868456), wk = 0.0017331 k( 533) = ( 0.5000000 0.2914116 0.1758547), wk = 0.0017331 k( 534) = ( 0.5000000 0.2914116 0.1648638), wk = 0.0017331 k( 535) = ( 0.5000000 0.2914116 0.1538729), wk = 0.0017331 k( 536) = ( 0.5000000 0.2914116 0.1428820), wk = 0.0017331 k( 537) = ( 0.5000000 0.2914116 0.1318910), wk = 0.0017331 k( 538) = ( 0.5000000 0.2914116 0.1209001), wk = 0.0017331 k( 539) = ( 0.5000000 0.2914116 0.1099092), wk = 0.0017331 k( 540) = ( 0.5000000 0.2914116 0.0989183), wk = 0.0017331 k( 541) = ( 0.5000000 0.2914116 0.0879274), wk = 0.0017331 k( 542) = ( 0.5000000 0.2914116 0.0769364), wk = 0.0017331 k( 543) = ( 0.5000000 0.2914116 0.0659455), wk = 0.0017331 k( 544) = ( 0.5000000 0.2914116 0.0549546), wk = 0.0017331 k( 545) = ( 0.5000000 0.2914116 0.0439637), wk = 0.0017331 k( 546) = ( 0.5000000 0.2914116 0.0329728), wk = 0.0017331 k( 547) = ( 0.5000000 0.2914116 0.0219818), wk = 0.0017331 k( 548) = ( 0.5000000 0.2914116 0.0109909), wk = 0.0017331 k( 549) = ( 0.5000000 0.2914116 -0.0000000), wk = 0.0017331 k( 550) = ( 0.0000000 0.0000000 0.9929656), wk = 0.0017331 k( 551) = ( 0.0092593 0.0053965 0.9929656), wk = 0.0017331 k( 552) = ( 0.0185185 0.0107930 0.9929656), wk = 0.0017331 k( 553) = ( 0.0277778 0.0161895 0.9929656), wk = 0.0017331 k( 554) = ( 0.0370370 0.0215860 0.9929656), wk = 0.0017331 k( 555) = ( 0.0462963 0.0269826 0.9929656), wk = 0.0017331 k( 556) = ( 0.0555556 0.0323791 0.9929656), wk = 0.0017331 k( 557) = ( 0.0648148 0.0377756 0.9929656), wk = 0.0017331 k( 558) = ( 0.0740741 0.0431721 0.9929656), wk = 0.0017331 k( 559) = ( 0.0833333 0.0485686 0.9929656), wk = 0.0017331 k( 560) = ( 0.0925926 0.0539651 0.9929656), wk = 0.0017331 k( 561) = ( 0.1018518 0.0593616 0.9929656), wk = 0.0017331 k( 562) = ( 0.1111111 0.0647581 0.9929656), wk = 0.0017331 k( 563) = ( 0.1203704 0.0701546 0.9929656), wk = 0.0017331 k( 564) = ( 0.1296296 0.0755511 0.9929656), wk = 0.0017331 k( 565) = ( 0.1388889 0.0809477 0.9929656), wk = 0.0017331 k( 566) = ( 0.1481482 0.0863442 0.9929656), wk = 0.0017331 k( 567) = ( 0.1574074 0.0917407 0.9929656), wk = 0.0017331 k( 568) = ( 0.1666667 0.0971372 0.9929656), wk = 0.0017331 k( 569) = ( 0.1759259 0.1025337 0.9929656), wk = 0.0017331 k( 570) = ( 0.1851852 0.1079302 0.9929656), wk = 0.0017331 k( 571) = ( 0.1944444 0.1133267 0.9929656), wk = 0.0017331 k( 572) = ( 0.2037037 0.1187232 0.9929656), wk = 0.0017331 k( 573) = ( 0.2129630 0.1241197 0.9929656), wk = 0.0017331 k( 574) = ( 0.2222222 0.1295162 0.9929656), wk = 0.0017331 k( 575) = ( 0.2314815 0.1349128 0.9929656), wk = 0.0017331 k( 576) = ( 0.2407407 0.1403093 0.9929656), wk = 0.0017331 k( 577) = ( 0.2500000 0.1457058 0.9929656), wk = 0.0017331 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 2) = ( 0.0000000 0.0000000 0.0055556), wk = 0.0017331 k( 3) = ( 0.0000000 0.0000000 0.0111111), wk = 0.0017331 k( 4) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0017331 k( 5) = ( 0.0000000 0.0000000 0.0222222), wk = 0.0017331 k( 6) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0017331 k( 7) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0017331 k( 8) = ( 0.0000000 0.0000000 0.0388889), wk = 0.0017331 k( 9) = ( 0.0000000 0.0000000 0.0444444), wk = 0.0017331 k( 10) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0017331 k( 11) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0017331 k( 12) = ( 0.0000000 0.0000000 0.0611111), wk = 0.0017331 k( 13) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0017331 k( 14) = ( 0.0000000 0.0000000 0.0722222), wk = 0.0017331 k( 15) = ( 0.0000000 0.0000000 0.0777778), wk = 0.0017331 k( 16) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0017331 k( 17) = ( 0.0000000 0.0000000 0.0888889), wk = 0.0017331 k( 18) = ( 0.0000000 0.0000000 0.0944444), wk = 0.0017331 k( 19) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0017331 k( 20) = ( 0.0000000 0.0000000 0.1055556), wk = 0.0017331 k( 21) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0017331 k( 22) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0017331 k( 23) = ( 0.0000000 0.0000000 0.1222222), wk = 0.0017331 k( 24) = ( 0.0000000 0.0000000 0.1277778), wk = 0.0017331 k( 25) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0017331 k( 26) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0017331 k( 27) = ( 0.0000000 0.0000000 0.1444444), wk = 0.0017331 k( 28) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0017331 k( 29) = ( 0.0000000 0.0000000 0.1555556), wk = 0.0017331 k( 30) = ( 0.0000000 0.0000000 0.1611111), wk = 0.0017331 k( 31) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017331 k( 32) = ( 0.0000000 0.0000000 0.1722222), wk = 0.0017331 k( 33) = ( 0.0000000 0.0000000 0.1777778), wk = 0.0017331 k( 34) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0017331 k( 35) = ( 0.0000000 0.0000000 0.1888889), wk = 0.0017331 k( 36) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0017331 k( 37) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0017331 k( 38) = ( 0.0000000 0.0000000 0.2055556), wk = 0.0017331 k( 39) = ( 0.0000000 0.0000000 0.2111111), wk = 0.0017331 k( 40) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0017331 k( 41) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0017331 k( 42) = ( 0.0000000 0.0000000 0.2277778), wk = 0.0017331 k( 43) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0017331 k( 44) = ( 0.0000000 0.0000000 0.2388889), wk = 0.0017331 k( 45) = ( 0.0000000 0.0000000 0.2444444), wk = 0.0017331 k( 46) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017331 k( 47) = ( 0.0000000 0.0000000 0.2555556), wk = 0.0017331 k( 48) = ( 0.0000000 0.0000000 0.2611111), wk = 0.0017331 k( 49) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0017331 k( 50) = ( 0.0000000 0.0000000 0.2722222), wk = 0.0017331 k( 51) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0017331 k( 52) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0017331 k( 53) = ( 0.0000000 0.0000000 0.2888889), wk = 0.0017331 k( 54) = ( 0.0000000 0.0000000 0.2944444), wk = 0.0017331 k( 55) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0017331 k( 56) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0017331 k( 57) = ( 0.0000000 0.0000000 0.3111111), wk = 0.0017331 k( 58) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0017331 k( 59) = ( 0.0000000 0.0000000 0.3222222), wk = 0.0017331 k( 60) = ( 0.0000000 0.0000000 0.3277778), wk = 0.0017331 k( 61) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017331 k( 62) = ( 0.0000000 0.0000000 0.3388889), wk = 0.0017331 k( 63) = ( 0.0000000 0.0000000 0.3444444), wk = 0.0017331 k( 64) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0017331 k( 65) = ( 0.0000000 0.0000000 0.3555556), wk = 0.0017331 k( 66) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0017331 k( 67) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0017331 k( 68) = ( 0.0000000 0.0000000 0.3722222), wk = 0.0017331 k( 69) = ( 0.0000000 0.0000000 0.3777778), wk = 0.0017331 k( 70) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0017331 k( 71) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0017331 k( 72) = ( 0.0000000 0.0000000 0.3944444), wk = 0.0017331 k( 73) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0017331 k( 74) = ( 0.0000000 0.0000000 0.4055556), wk = 0.0017331 k( 75) = ( 0.0000000 0.0000000 0.4111111), wk = 0.0017331 k( 76) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0017331 k( 77) = ( 0.0000000 0.0000000 0.4222222), wk = 0.0017331 k( 78) = ( 0.0000000 0.0000000 0.4277778), wk = 0.0017331 k( 79) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0017331 k( 80) = ( 0.0000000 0.0000000 0.4388889), wk = 0.0017331 k( 81) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0017331 k( 82) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0017331 k( 83) = ( 0.0000000 0.0000000 0.4555556), wk = 0.0017331 k( 84) = ( 0.0000000 0.0000000 0.4611111), wk = 0.0017331 k( 85) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0017331 k( 86) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0017331 k( 87) = ( 0.0000000 0.0000000 0.4777778), wk = 0.0017331 k( 88) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0017331 k( 89) = ( 0.0000000 0.0000000 0.4888889), wk = 0.0017331 k( 90) = ( 0.0000000 0.0000000 0.4944444), wk = 0.0017331 k( 91) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017331 k( 92) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017331 k( 93) = ( -0.0053075 0.0053075 0.5000000), wk = 0.0017331 k( 94) = ( -0.0106151 0.0106151 0.5000000), wk = 0.0017331 k( 95) = ( -0.0159226 0.0159226 0.5000000), wk = 0.0017331 k( 96) = ( -0.0212302 0.0212302 0.5000000), wk = 0.0017331 k( 97) = ( -0.0265377 0.0265377 0.5000000), wk = 0.0017331 k( 98) = ( -0.0318453 0.0318453 0.5000000), wk = 0.0017331 k( 99) = ( -0.0371528 0.0371528 0.5000000), wk = 0.0017331 k( 100) = ( -0.0424604 0.0424604 0.5000000), wk = 0.0017331 k( 101) = ( -0.0477679 0.0477679 0.5000000), wk = 0.0017331 k( 102) = ( -0.0530754 0.0530754 0.5000000), wk = 0.0017331 k( 103) = ( -0.0583830 0.0583830 0.5000000), wk = 0.0017331 k( 104) = ( -0.0636905 0.0636905 0.5000000), wk = 0.0017331 k( 105) = ( -0.0689981 0.0689981 0.5000000), wk = 0.0017331 k( 106) = ( -0.0743056 0.0743056 0.5000000), wk = 0.0017331 k( 107) = ( -0.0796131 0.0796132 0.5000000), wk = 0.0017331 k( 108) = ( -0.0849207 0.0849207 0.5000000), wk = 0.0017331 k( 109) = ( -0.0849207 0.0849207 0.5000000), wk = 0.0017331 k( 110) = ( -0.0888365 0.0888365 0.4960842), wk = 0.0017331 k( 111) = ( -0.0927524 0.0927524 0.4921683), wk = 0.0017331 k( 112) = ( -0.0966682 0.0966682 0.4882525), wk = 0.0017331 k( 113) = ( -0.1005841 0.1005841 0.4843366), wk = 0.0017331 k( 114) = ( -0.1044999 0.1044999 0.4804208), wk = 0.0017331 k( 115) = ( -0.1084158 0.1084158 0.4765049), wk = 0.0017331 k( 116) = ( -0.1123316 0.1123316 0.4725891), wk = 0.0017331 k( 117) = ( -0.1162474 0.1162474 0.4686733), wk = 0.0017331 k( 118) = ( -0.1201633 0.1201633 0.4647574), wk = 0.0017331 k( 119) = ( -0.1240791 0.1240791 0.4608416), wk = 0.0017331 k( 120) = ( -0.1279950 0.1279950 0.4569257), wk = 0.0017331 k( 121) = ( -0.1319108 0.1319108 0.4530099), wk = 0.0017331 k( 122) = ( -0.1358266 0.1358266 0.4490941), wk = 0.0017331 k( 123) = ( -0.1397425 0.1397425 0.4451782), wk = 0.0017331 k( 124) = ( -0.1436583 0.1436583 0.4412624), wk = 0.0017331 k( 125) = ( -0.1475742 0.1475742 0.4373465), wk = 0.0017331 k( 126) = ( -0.1514900 0.1514900 0.4334307), wk = 0.0017331 k( 127) = ( -0.1554059 0.1554059 0.4295148), wk = 0.0017331 k( 128) = ( -0.1593217 0.1593217 0.4255990), wk = 0.0017331 k( 129) = ( -0.1632376 0.1632376 0.4216831), wk = 0.0017331 k( 130) = ( -0.1671534 0.1671534 0.4177673), wk = 0.0017331 k( 131) = ( -0.1710692 0.1710692 0.4138515), wk = 0.0017331 k( 132) = ( -0.1749851 0.1749851 0.4099356), wk = 0.0017331 k( 133) = ( -0.1789009 0.1789009 0.4060198), wk = 0.0017331 k( 134) = ( -0.1828168 0.1828168 0.4021039), wk = 0.0017331 k( 135) = ( -0.1867326 0.1867326 0.3981881), wk = 0.0017331 k( 136) = ( -0.1906484 0.1906484 0.3942722), wk = 0.0017331 k( 137) = ( -0.1945643 0.1945643 0.3903564), wk = 0.0017331 k( 138) = ( -0.1984801 0.1984801 0.3864406), wk = 0.0017331 k( 139) = ( -0.2023960 0.2023960 0.3825247), wk = 0.0017331 k( 140) = ( -0.2063118 0.2063118 0.3786089), wk = 0.0017331 k( 141) = ( -0.2102277 0.2102277 0.3746930), wk = 0.0017331 k( 142) = ( -0.2141435 0.2141435 0.3707772), wk = 0.0017331 k( 143) = ( -0.2180593 0.2180593 0.3668614), wk = 0.0017331 k( 144) = ( -0.2219752 0.2219752 0.3629455), wk = 0.0017331 k( 145) = ( -0.2258910 0.2258910 0.3590297), wk = 0.0017331 k( 146) = ( -0.2298069 0.2298069 0.3551138), wk = 0.0017331 k( 147) = ( -0.2337227 0.2337227 0.3511980), wk = 0.0017331 k( 148) = ( -0.2376386 0.2376386 0.3472821), wk = 0.0017331 k( 149) = ( -0.2415544 0.2415544 0.3433663), wk = 0.0017331 k( 150) = ( -0.2454702 0.2454702 0.3394505), wk = 0.0017331 k( 151) = ( -0.2493861 0.2493861 0.3355346), wk = 0.0017331 k( 152) = ( -0.2533019 0.2533019 0.3316188), wk = 0.0017331 k( 153) = ( -0.2572178 0.2572178 0.3277029), wk = 0.0017331 k( 154) = ( -0.2611336 0.2611336 0.3237871), wk = 0.0017331 k( 155) = ( -0.2650495 0.2650495 0.3198712), wk = 0.0017331 k( 156) = ( -0.2689653 0.2689653 0.3159554), wk = 0.0017331 k( 157) = ( -0.2728811 0.2728811 0.3120396), wk = 0.0017331 k( 158) = ( -0.2767970 0.2767970 0.3081237), wk = 0.0017331 k( 159) = ( -0.2807128 0.2807128 0.3042079), wk = 0.0017331 k( 160) = ( -0.2846287 0.2846287 0.3002920), wk = 0.0017331 k( 161) = ( -0.2885445 0.2885445 0.2963762), wk = 0.0017331 k( 162) = ( -0.2924603 0.2924604 0.2924603), wk = 0.0017331 k( 163) = ( -0.2924603 0.2924604 0.2924603), wk = 0.0017331 k( 164) = ( -0.2885609 0.2885609 0.2885609), wk = 0.0017331 k( 165) = ( -0.2846614 0.2846614 0.2846614), wk = 0.0017331 k( 166) = ( -0.2807619 0.2807619 0.2807619), wk = 0.0017331 k( 167) = ( -0.2768625 0.2768625 0.2768625), wk = 0.0017331 k( 168) = ( -0.2729630 0.2729630 0.2729630), wk = 0.0017331 k( 169) = ( -0.2690635 0.2690635 0.2690635), wk = 0.0017331 k( 170) = ( -0.2651640 0.2651640 0.2651640), wk = 0.0017331 k( 171) = ( -0.2612646 0.2612646 0.2612646), wk = 0.0017331 k( 172) = ( -0.2573651 0.2573651 0.2573651), wk = 0.0017331 k( 173) = ( -0.2534656 0.2534656 0.2534656), wk = 0.0017331 k( 174) = ( -0.2495662 0.2495662 0.2495662), wk = 0.0017331 k( 175) = ( -0.2456667 0.2456667 0.2456667), wk = 0.0017331 k( 176) = ( -0.2417672 0.2417672 0.2417672), wk = 0.0017331 k( 177) = ( -0.2378677 0.2378677 0.2378677), wk = 0.0017331 k( 178) = ( -0.2339683 0.2339683 0.2339683), wk = 0.0017331 k( 179) = ( -0.2300688 0.2300688 0.2300688), wk = 0.0017331 k( 180) = ( -0.2261693 0.2261693 0.2261693), wk = 0.0017331 k( 181) = ( -0.2222699 0.2222699 0.2222699), wk = 0.0017331 k( 182) = ( -0.2183704 0.2183704 0.2183704), wk = 0.0017331 k( 183) = ( -0.2144709 0.2144709 0.2144709), wk = 0.0017331 k( 184) = ( -0.2105714 0.2105714 0.2105714), wk = 0.0017331 k( 185) = ( -0.2066720 0.2066720 0.2066720), wk = 0.0017331 k( 186) = ( -0.2027725 0.2027725 0.2027725), wk = 0.0017331 k( 187) = ( -0.1988730 0.1988730 0.1988730), wk = 0.0017331 k( 188) = ( -0.1949736 0.1949736 0.1949736), wk = 0.0017331 k( 189) = ( -0.1910741 0.1910741 0.1910741), wk = 0.0017331 k( 190) = ( -0.1871746 0.1871746 0.1871746), wk = 0.0017331 k( 191) = ( -0.1832751 0.1832752 0.1832751), wk = 0.0017331 k( 192) = ( -0.1793757 0.1793757 0.1793757), wk = 0.0017331 k( 193) = ( -0.1754762 0.1754762 0.1754762), wk = 0.0017331 k( 194) = ( -0.1715767 0.1715767 0.1715767), wk = 0.0017331 k( 195) = ( -0.1676773 0.1676773 0.1676773), wk = 0.0017331 k( 196) = ( -0.1637778 0.1637778 0.1637778), wk = 0.0017331 k( 197) = ( -0.1598783 0.1598783 0.1598783), wk = 0.0017331 k( 198) = ( -0.1559789 0.1559789 0.1559789), wk = 0.0017331 k( 199) = ( -0.1520794 0.1520794 0.1520794), wk = 0.0017331 k( 200) = ( -0.1481799 0.1481799 0.1481799), wk = 0.0017331 k( 201) = ( -0.1442804 0.1442804 0.1442804), wk = 0.0017331 k( 202) = ( -0.1403810 0.1403810 0.1403810), wk = 0.0017331 k( 203) = ( -0.1364815 0.1364815 0.1364815), wk = 0.0017331 k( 204) = ( -0.1325820 0.1325820 0.1325820), wk = 0.0017331 k( 205) = ( -0.1286826 0.1286826 0.1286825), wk = 0.0017331 k( 206) = ( -0.1247831 0.1247831 0.1247831), wk = 0.0017331 k( 207) = ( -0.1208836 0.1208836 0.1208836), wk = 0.0017331 k( 208) = ( -0.1169841 0.1169841 0.1169841), wk = 0.0017331 k( 209) = ( -0.1130847 0.1130847 0.1130847), wk = 0.0017331 k( 210) = ( -0.1091852 0.1091852 0.1091852), wk = 0.0017331 k( 211) = ( -0.1052857 0.1052857 0.1052857), wk = 0.0017331 k( 212) = ( -0.1013862 0.1013863 0.1013862), wk = 0.0017331 k( 213) = ( -0.0974868 0.0974868 0.0974868), wk = 0.0017331 k( 214) = ( -0.0935873 0.0935873 0.0935873), wk = 0.0017331 k( 215) = ( -0.0896878 0.0896878 0.0896878), wk = 0.0017331 k( 216) = ( -0.0857884 0.0857884 0.0857884), wk = 0.0017331 k( 217) = ( -0.0818889 0.0818889 0.0818889), wk = 0.0017331 k( 218) = ( -0.0779894 0.0779894 0.0779894), wk = 0.0017331 k( 219) = ( -0.0740900 0.0740900 0.0740899), wk = 0.0017331 k( 220) = ( -0.0701905 0.0701905 0.0701905), wk = 0.0017331 k( 221) = ( -0.0662910 0.0662910 0.0662910), wk = 0.0017331 k( 222) = ( -0.0623915 0.0623915 0.0623915), wk = 0.0017331 k( 223) = ( -0.0584921 0.0584921 0.0584921), wk = 0.0017331 k( 224) = ( -0.0545926 0.0545926 0.0545926), wk = 0.0017331 k( 225) = ( -0.0506931 0.0506931 0.0506931), wk = 0.0017331 k( 226) = ( -0.0467937 0.0467937 0.0467937), wk = 0.0017331 k( 227) = ( -0.0428942 0.0428942 0.0428942), wk = 0.0017331 k( 228) = ( -0.0389947 0.0389947 0.0389947), wk = 0.0017331 k( 229) = ( -0.0350952 0.0350952 0.0350952), wk = 0.0017331 k( 230) = ( -0.0311958 0.0311958 0.0311958), wk = 0.0017331 k( 231) = ( -0.0272963 0.0272963 0.0272963), wk = 0.0017331 k( 232) = ( -0.0233968 0.0233968 0.0233968), wk = 0.0017331 k( 233) = ( -0.0194974 0.0194974 0.0194974), wk = 0.0017331 k( 234) = ( -0.0155979 0.0155979 0.0155979), wk = 0.0017331 k( 235) = ( -0.0116984 0.0116984 0.0116984), wk = 0.0017331 k( 236) = ( -0.0077989 0.0077989 0.0077989), wk = 0.0017331 k( 237) = ( -0.0038995 0.0038995 0.0038995), wk = 0.0017331 k( 238) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 239) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017331 k( 240) = ( 0.0094340 0.0094340 -0.0094340), wk = 0.0017331 k( 241) = ( 0.0188679 0.0188679 -0.0188679), wk = 0.0017331 k( 242) = ( 0.0283019 0.0283019 -0.0283019), wk = 0.0017331 k( 243) = ( 0.0377359 0.0377359 -0.0377358), wk = 0.0017331 k( 244) = ( 0.0471698 0.0471698 -0.0471698), wk = 0.0017331 k( 245) = ( 0.0566038 0.0566038 -0.0566038), wk = 0.0017331 k( 246) = ( 0.0660377 0.0660377 -0.0660377), wk = 0.0017331 k( 247) = ( 0.0754717 0.0754717 -0.0754717), wk = 0.0017331 k( 248) = ( 0.0849057 0.0849057 -0.0849057), wk = 0.0017331 k( 249) = ( 0.0943396 0.0943396 -0.0943396), wk = 0.0017331 k( 250) = ( 0.1037736 0.1037736 -0.1037736), wk = 0.0017331 k( 251) = ( 0.1132076 0.1132076 -0.1132076), wk = 0.0017331 k( 252) = ( 0.1226415 0.1226415 -0.1226415), wk = 0.0017331 k( 253) = ( 0.1320755 0.1320755 -0.1320755), wk = 0.0017331 k( 254) = ( 0.1415094 0.1415094 -0.1415094), wk = 0.0017331 k( 255) = ( 0.1509434 0.1509434 -0.1509434), wk = 0.0017331 k( 256) = ( 0.1603774 0.1603774 -0.1603774), wk = 0.0017331 k( 257) = ( 0.1698113 0.1698113 -0.1698113), wk = 0.0017331 k( 258) = ( 0.1792453 0.1792453 -0.1792453), wk = 0.0017331 k( 259) = ( 0.1886792 0.1886793 -0.1886792), wk = 0.0017331 k( 260) = ( 0.1981132 0.1981132 -0.1981132), wk = 0.0017331 k( 261) = ( 0.2075472 0.2075472 -0.2075472), wk = 0.0017331 k( 262) = ( 0.2169811 0.2169811 -0.2169811), wk = 0.0017331 k( 263) = ( 0.2264151 0.2264151 -0.2264151), wk = 0.0017331 k( 264) = ( 0.2358491 0.2358491 -0.2358491), wk = 0.0017331 k( 265) = ( 0.2452830 0.2452830 -0.2452830), wk = 0.0017331 k( 266) = ( 0.2547170 0.2547170 -0.2547170), wk = 0.0017331 k( 267) = ( 0.2641509 0.2641509 -0.2641509), wk = 0.0017331 k( 268) = ( 0.2735849 0.2735849 -0.2735849), wk = 0.0017331 k( 269) = ( 0.2830189 0.2830189 -0.2830189), wk = 0.0017331 k( 270) = ( 0.2924528 0.2924528 -0.2924528), wk = 0.0017331 k( 271) = ( 0.3018868 0.3018868 -0.3018868), wk = 0.0017331 k( 272) = ( 0.3113207 0.3113208 -0.3113207), wk = 0.0017331 k( 273) = ( 0.3207547 0.3207547 -0.3207547), wk = 0.0017331 k( 274) = ( 0.3301887 0.3301887 -0.3301887), wk = 0.0017331 k( 275) = ( 0.3396226 0.3396226 -0.3396226), wk = 0.0017331 k( 276) = ( 0.3490566 0.3490566 -0.3490566), wk = 0.0017331 k( 277) = ( 0.3584906 0.3584906 -0.3584906), wk = 0.0017331 k( 278) = ( 0.3679245 0.3679245 -0.3679245), wk = 0.0017331 k( 279) = ( 0.3773585 0.3773585 -0.3773585), wk = 0.0017331 k( 280) = ( 0.3867925 0.3867925 -0.3867924), wk = 0.0017331 k( 281) = ( 0.3962264 0.3962264 -0.3962264), wk = 0.0017331 k( 282) = ( 0.4056604 0.4056604 -0.4056604), wk = 0.0017331 k( 283) = ( 0.4150943 0.4150943 -0.4150943), wk = 0.0017331 k( 284) = ( 0.4245283 0.4245283 -0.4245283), wk = 0.0017331 k( 285) = ( 0.4339623 0.4339623 -0.4339623), wk = 0.0017331 k( 286) = ( 0.4433962 0.4433962 -0.4433962), wk = 0.0017331 k( 287) = ( 0.4528302 0.4528302 -0.4528302), wk = 0.0017331 k( 288) = ( 0.4622641 0.4622642 -0.4622641), wk = 0.0017331 k( 289) = ( 0.4716981 0.4716981 -0.4716981), wk = 0.0017331 k( 290) = ( 0.4811321 0.4811321 -0.4811321), wk = 0.0017331 k( 291) = ( 0.4905660 0.4905660 -0.4905660), wk = 0.0017331 k( 292) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017331 k( 293) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017331 k( 294) = ( 0.4960842 0.5039158 -0.4960842), wk = 0.0017331 k( 295) = ( 0.4921683 0.5078317 -0.4921683), wk = 0.0017331 k( 296) = ( 0.4882525 0.5117475 -0.4882525), wk = 0.0017331 k( 297) = ( 0.4843366 0.5156634 -0.4843366), wk = 0.0017331 k( 298) = ( 0.4804208 0.5195792 -0.4804208), wk = 0.0017331 k( 299) = ( 0.4765049 0.5234951 -0.4765049), wk = 0.0017331 k( 300) = ( 0.4725891 0.5274109 -0.4725891), wk = 0.0017331 k( 301) = ( 0.4686733 0.5313267 -0.4686733), wk = 0.0017331 k( 302) = ( 0.4647574 0.5352426 -0.4647574), wk = 0.0017331 k( 303) = ( 0.4608416 0.5391584 -0.4608416), wk = 0.0017331 k( 304) = ( 0.4569257 0.5430743 -0.4569257), wk = 0.0017331 k( 305) = ( 0.4530099 0.5469901 -0.4530099), wk = 0.0017331 k( 306) = ( 0.4490941 0.5509060 -0.4490941), wk = 0.0017331 k( 307) = ( 0.4451782 0.5548218 -0.4451782), wk = 0.0017331 k( 308) = ( 0.4412624 0.5587376 -0.4412624), wk = 0.0017331 k( 309) = ( 0.4373465 0.5626535 -0.4373465), wk = 0.0017331 k( 310) = ( 0.4334307 0.5665693 -0.4334307), wk = 0.0017331 k( 311) = ( 0.4295148 0.5704852 -0.4295148), wk = 0.0017331 k( 312) = ( 0.4255990 0.5744010 -0.4255990), wk = 0.0017331 k( 313) = ( 0.4216832 0.5783169 -0.4216832), wk = 0.0017331 k( 314) = ( 0.4177673 0.5822327 -0.4177673), wk = 0.0017331 k( 315) = ( 0.4138515 0.5861485 -0.4138515), wk = 0.0017331 k( 316) = ( 0.4099356 0.5900644 -0.4099356), wk = 0.0017331 k( 317) = ( 0.4060198 0.5939802 -0.4060198), wk = 0.0017331 k( 318) = ( 0.4021039 0.5978961 -0.4021039), wk = 0.0017331 k( 319) = ( 0.3981881 0.6018119 -0.3981881), wk = 0.0017331 k( 320) = ( 0.3942722 0.6057278 -0.3942722), wk = 0.0017331 k( 321) = ( 0.3903564 0.6096436 -0.3903564), wk = 0.0017331 k( 322) = ( 0.3864406 0.6135594 -0.3864406), wk = 0.0017331 k( 323) = ( 0.3825247 0.6174753 -0.3825247), wk = 0.0017331 k( 324) = ( 0.3786089 0.6213911 -0.3786089), wk = 0.0017331 k( 325) = ( 0.3746930 0.6253070 -0.3746930), wk = 0.0017331 k( 326) = ( 0.3707772 0.6292228 -0.3707772), wk = 0.0017331 k( 327) = ( 0.3668614 0.6331386 -0.3668614), wk = 0.0017331 k( 328) = ( 0.3629455 0.6370545 -0.3629455), wk = 0.0017331 k( 329) = ( 0.3590297 0.6409703 -0.3590297), wk = 0.0017331 k( 330) = ( 0.3551138 0.6448862 -0.3551138), wk = 0.0017331 k( 331) = ( 0.3511980 0.6488020 -0.3511980), wk = 0.0017331 k( 332) = ( 0.3472821 0.6527179 -0.3472821), wk = 0.0017331 k( 333) = ( 0.3433663 0.6566337 -0.3433663), wk = 0.0017331 k( 334) = ( 0.3394505 0.6605495 -0.3394505), wk = 0.0017331 k( 335) = ( 0.3355346 0.6644654 -0.3355346), wk = 0.0017331 k( 336) = ( 0.3316188 0.6683812 -0.3316188), wk = 0.0017331 k( 337) = ( 0.3277029 0.6722971 -0.3277029), wk = 0.0017331 k( 338) = ( 0.3237871 0.6762129 -0.3237871), wk = 0.0017331 k( 339) = ( 0.3198712 0.6801288 -0.3198712), wk = 0.0017331 k( 340) = ( 0.3159554 0.6840446 -0.3159554), wk = 0.0017331 k( 341) = ( 0.3120396 0.6879604 -0.3120396), wk = 0.0017331 k( 342) = ( 0.3081237 0.6918763 -0.3081237), wk = 0.0017331 k( 343) = ( 0.3042079 0.6957921 -0.3042079), wk = 0.0017331 k( 344) = ( 0.3002920 0.6997080 -0.3002920), wk = 0.0017331 k( 345) = ( 0.2963762 0.7036238 -0.2963762), wk = 0.0017331 k( 346) = ( 0.2924603 0.7075397 -0.2924604), wk = 0.0017331 k( 347) = ( 0.2924603 0.7075397 -0.2924604), wk = 0.0017331 k( 348) = ( 0.2823755 0.7003831 -0.2823755), wk = 0.0017331 k( 349) = ( 0.2722907 0.6932266 -0.2722907), wk = 0.0017331 k( 350) = ( 0.2622058 0.6860700 -0.2622058), wk = 0.0017331 k( 351) = ( 0.2521210 0.6789135 -0.2521210), wk = 0.0017331 k( 352) = ( 0.2420362 0.6717570 -0.2420362), wk = 0.0017331 k( 353) = ( 0.2319513 0.6646004 -0.2319513), wk = 0.0017331 k( 354) = ( 0.2218665 0.6574439 -0.2218665), wk = 0.0017331 k( 355) = ( 0.2117816 0.6502873 -0.2117816), wk = 0.0017331 k( 356) = ( 0.2016968 0.6431308 -0.2016968), wk = 0.0017331 k( 357) = ( 0.1916120 0.6359743 -0.1916120), wk = 0.0017331 k( 358) = ( 0.1815271 0.6288177 -0.1815271), wk = 0.0017331 k( 359) = ( 0.1714423 0.6216612 -0.1714423), wk = 0.0017331 k( 360) = ( 0.1613574 0.6145046 -0.1613574), wk = 0.0017331 k( 361) = ( 0.1512726 0.6073481 -0.1512726), wk = 0.0017331 k( 362) = ( 0.1411878 0.6001916 -0.1411877), wk = 0.0017331 k( 363) = ( 0.1311029 0.5930350 -0.1311029), wk = 0.0017331 k( 364) = ( 0.1210181 0.5858785 -0.1210181), wk = 0.0017331 k( 365) = ( 0.1109332 0.5787219 -0.1109332), wk = 0.0017331 k( 366) = ( 0.1008484 0.5715654 -0.1008484), wk = 0.0017331 k( 367) = ( 0.0907636 0.5644089 -0.0907636), wk = 0.0017331 k( 368) = ( 0.0806787 0.5572523 -0.0806787), wk = 0.0017331 k( 369) = ( 0.0705939 0.5500958 -0.0705939), wk = 0.0017331 k( 370) = ( 0.0605090 0.5429392 -0.0605090), wk = 0.0017331 k( 371) = ( 0.0504242 0.5357827 -0.0504242), wk = 0.0017331 k( 372) = ( 0.0403394 0.5286262 -0.0403394), wk = 0.0017331 k( 373) = ( 0.0302545 0.5214696 -0.0302545), wk = 0.0017331 k( 374) = ( 0.0201697 0.5143131 -0.0201697), wk = 0.0017331 k( 375) = ( 0.0100848 0.5071565 -0.0100848), wk = 0.0017331 k( 376) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017331 k( 377) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0017331 k( 378) = ( 0.0039062 0.4960938 0.0039062), wk = 0.0017331 k( 379) = ( 0.0078125 0.4921875 0.0078125), wk = 0.0017331 k( 380) = ( 0.0117188 0.4882813 0.0117188), wk = 0.0017331 k( 381) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0017331 k( 382) = ( 0.0195312 0.4804688 0.0195312), wk = 0.0017331 k( 383) = ( 0.0234375 0.4765625 0.0234375), wk = 0.0017331 k( 384) = ( 0.0273438 0.4726563 0.0273437), wk = 0.0017331 k( 385) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0017331 k( 386) = ( 0.0351562 0.4648438 0.0351562), wk = 0.0017331 k( 387) = ( 0.0390625 0.4609375 0.0390625), wk = 0.0017331 k( 388) = ( 0.0429688 0.4570312 0.0429688), wk = 0.0017331 k( 389) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0017331 k( 390) = ( 0.0507812 0.4492188 0.0507812), wk = 0.0017331 k( 391) = ( 0.0546875 0.4453125 0.0546875), wk = 0.0017331 k( 392) = ( 0.0585938 0.4414062 0.0585938), wk = 0.0017331 k( 393) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0017331 k( 394) = ( 0.0664062 0.4335938 0.0664062), wk = 0.0017331 k( 395) = ( 0.0703125 0.4296875 0.0703125), wk = 0.0017331 k( 396) = ( 0.0742188 0.4257813 0.0742188), wk = 0.0017331 k( 397) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0017331 k( 398) = ( 0.0820312 0.4179688 0.0820312), wk = 0.0017331 k( 399) = ( 0.0859375 0.4140625 0.0859375), wk = 0.0017331 k( 400) = ( 0.0898438 0.4101562 0.0898438), wk = 0.0017331 k( 401) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0017331 k( 402) = ( 0.0976562 0.4023438 0.0976562), wk = 0.0017331 k( 403) = ( 0.1015625 0.3984375 0.1015625), wk = 0.0017331 k( 404) = ( 0.1054688 0.3945312 0.1054687), wk = 0.0017331 k( 405) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0017331 k( 406) = ( 0.1132812 0.3867188 0.1132813), wk = 0.0017331 k( 407) = ( 0.1171875 0.3828125 0.1171875), wk = 0.0017331 k( 408) = ( 0.1210938 0.3789063 0.1210937), wk = 0.0017331 k( 409) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0017331 k( 410) = ( 0.1289062 0.3710938 0.1289063), wk = 0.0017331 k( 411) = ( 0.1328125 0.3671875 0.1328125), wk = 0.0017331 k( 412) = ( 0.1367188 0.3632812 0.1367187), wk = 0.0017331 k( 413) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0017331 k( 414) = ( 0.1445312 0.3554688 0.1445312), wk = 0.0017331 k( 415) = ( 0.1484375 0.3515625 0.1484375), wk = 0.0017331 k( 416) = ( 0.1523438 0.3476563 0.1523437), wk = 0.0017331 k( 417) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0017331 k( 418) = ( 0.1601562 0.3398438 0.1601562), wk = 0.0017331 k( 419) = ( 0.1640625 0.3359375 0.1640625), wk = 0.0017331 k( 420) = ( 0.1679688 0.3320312 0.1679688), wk = 0.0017331 k( 421) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0017331 k( 422) = ( 0.1757812 0.3242188 0.1757812), wk = 0.0017331 k( 423) = ( 0.1796875 0.3203125 0.1796875), wk = 0.0017331 k( 424) = ( 0.1835938 0.3164063 0.1835938), wk = 0.0017331 k( 425) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0017331 k( 426) = ( 0.1914062 0.3085938 0.1914062), wk = 0.0017331 k( 427) = ( 0.1953125 0.3046875 0.1953125), wk = 0.0017331 k( 428) = ( 0.1992188 0.3007813 0.1992188), wk = 0.0017331 k( 429) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0017331 k( 430) = ( 0.2070312 0.2929688 0.2070313), wk = 0.0017331 k( 431) = ( 0.2109375 0.2890625 0.2109375), wk = 0.0017331 k( 432) = ( 0.2148438 0.2851562 0.2148438), wk = 0.0017331 k( 433) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0017331 k( 434) = ( 0.2226562 0.2773438 0.2226563), wk = 0.0017331 k( 435) = ( 0.2265625 0.2734375 0.2265625), wk = 0.0017331 k( 436) = ( 0.2304688 0.2695313 0.2304688), wk = 0.0017331 k( 437) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0017331 k( 438) = ( 0.2382812 0.2617188 0.2382813), wk = 0.0017331 k( 439) = ( 0.2421875 0.2578125 0.2421875), wk = 0.0017331 k( 440) = ( 0.2460938 0.2539063 0.2460937), wk = 0.0017331 k( 441) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017331 k( 442) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017331 k( 443) = ( 0.2580645 0.2580645 0.2391961), wk = 0.0017331 k( 444) = ( 0.2661290 0.2661290 0.2283922), wk = 0.0017331 k( 445) = ( 0.2741936 0.2741936 0.2175883), wk = 0.0017331 k( 446) = ( 0.2822581 0.2822581 0.2067844), wk = 0.0017331 k( 447) = ( 0.2903226 0.2903226 0.1959805), wk = 0.0017331 k( 448) = ( 0.2983871 0.2983871 0.1851766), wk = 0.0017331 k( 449) = ( 0.3064516 0.3064516 0.1743728), wk = 0.0017331 k( 450) = ( 0.3145161 0.3145161 0.1635688), wk = 0.0017331 k( 451) = ( 0.3225807 0.3225807 0.1527650), wk = 0.0017331 k( 452) = ( 0.3306452 0.3306452 0.1419611), wk = 0.0017331 k( 453) = ( 0.3387097 0.3387097 0.1311572), wk = 0.0017331 k( 454) = ( 0.3467742 0.3467742 0.1203533), wk = 0.0017331 k( 455) = ( 0.3548387 0.3548387 0.1095494), wk = 0.0017331 k( 456) = ( 0.3629032 0.3629032 0.0987455), wk = 0.0017331 k( 457) = ( 0.3709677 0.3709677 0.0879416), wk = 0.0017331 k( 458) = ( 0.3790323 0.3790323 0.0771377), wk = 0.0017331 k( 459) = ( 0.3870968 0.3870968 0.0663338), wk = 0.0017331 k( 460) = ( 0.3951613 0.3951613 0.0555299), wk = 0.0017331 k( 461) = ( 0.4032258 0.4032258 0.0447260), wk = 0.0017331 k( 462) = ( 0.4112903 0.4112903 0.0339221), wk = 0.0017331 k( 463) = ( 0.4193548 0.4193548 0.0231182), wk = 0.0017331 k( 464) = ( 0.4274193 0.4274194 0.0123143), wk = 0.0017331 k( 465) = ( 0.4354839 0.4354839 0.0015105), wk = 0.0017331 k( 466) = ( 0.4435484 0.4435484 -0.0092934), wk = 0.0017331 k( 467) = ( 0.4516129 0.4516129 -0.0200973), wk = 0.0017331 k( 468) = ( 0.4596774 0.4596774 -0.0309012), wk = 0.0017331 k( 469) = ( 0.4677419 0.4677419 -0.0417051), wk = 0.0017331 k( 470) = ( 0.4758064 0.4758064 -0.0525090), wk = 0.0017331 k( 471) = ( 0.4838710 0.4838710 -0.0633129), wk = 0.0017331 k( 472) = ( 0.4919355 0.4919355 -0.0741168), wk = 0.0017331 k( 473) = ( 0.5000000 0.5000000 -0.0849207), wk = 0.0017331 k( 474) = ( 0.5000000 0.5000000 -0.0849207), wk = 0.0017331 k( 475) = ( 0.5000000 0.5000000 -0.0904551), wk = 0.0017331 k( 476) = ( 0.5000000 0.5000000 -0.0959895), wk = 0.0017331 k( 477) = ( 0.5000000 0.5000000 -0.1015239), wk = 0.0017331 k( 478) = ( 0.5000000 0.5000000 -0.1070583), wk = 0.0017331 k( 479) = ( 0.5000000 0.5000000 -0.1125926), wk = 0.0017331 k( 480) = ( 0.5000000 0.5000000 -0.1181270), wk = 0.0017331 k( 481) = ( 0.5000000 0.5000000 -0.1236614), wk = 0.0017331 k( 482) = ( 0.5000000 0.5000000 -0.1291958), wk = 0.0017331 k( 483) = ( 0.5000000 0.5000000 -0.1347302), wk = 0.0017331 k( 484) = ( 0.5000000 0.5000000 -0.1402646), wk = 0.0017331 k( 485) = ( 0.5000000 0.5000000 -0.1457990), wk = 0.0017331 k( 486) = ( 0.5000000 0.5000000 -0.1513334), wk = 0.0017331 k( 487) = ( 0.5000000 0.5000000 -0.1568678), wk = 0.0017331 k( 488) = ( 0.5000000 0.5000000 -0.1624022), wk = 0.0017331 k( 489) = ( 0.5000000 0.5000000 -0.1679366), wk = 0.0017331 k( 490) = ( 0.5000000 0.5000000 -0.1734710), wk = 0.0017331 k( 491) = ( 0.5000000 0.5000000 -0.1790053), wk = 0.0017331 k( 492) = ( 0.5000000 0.5000000 -0.1845397), wk = 0.0017331 k( 493) = ( 0.5000000 0.5000000 -0.1900741), wk = 0.0017331 k( 494) = ( 0.5000000 0.5000000 -0.1956085), wk = 0.0017331 k( 495) = ( 0.5000000 0.5000000 -0.2011429), wk = 0.0017331 k( 496) = ( 0.5000000 0.5000000 -0.2066773), wk = 0.0017331 k( 497) = ( 0.5000000 0.5000000 -0.2122117), wk = 0.0017331 k( 498) = ( 0.5000000 0.5000000 -0.2177461), wk = 0.0017331 k( 499) = ( 0.5000000 0.5000000 -0.2232805), wk = 0.0017331 k( 500) = ( 0.5000000 0.5000000 -0.2288149), wk = 0.0017331 k( 501) = ( 0.5000000 0.5000000 -0.2343493), wk = 0.0017331 k( 502) = ( 0.5000000 0.5000000 -0.2398836), wk = 0.0017331 k( 503) = ( 0.5000000 0.5000000 -0.2454180), wk = 0.0017331 k( 504) = ( 0.5000000 0.5000000 -0.2509524), wk = 0.0017331 k( 505) = ( 0.5000000 0.5000000 -0.2564868), wk = 0.0017331 k( 506) = ( 0.5000000 0.5000000 -0.2620212), wk = 0.0017331 k( 507) = ( 0.5000000 0.5000000 -0.2675556), wk = 0.0017331 k( 508) = ( 0.5000000 0.5000000 -0.2730900), wk = 0.0017331 k( 509) = ( 0.5000000 0.5000000 -0.2786244), wk = 0.0017331 k( 510) = ( 0.5000000 0.5000000 -0.2841588), wk = 0.0017331 k( 511) = ( 0.5000000 0.5000000 -0.2896932), wk = 0.0017331 k( 512) = ( 0.5000000 0.5000000 -0.2952275), wk = 0.0017331 k( 513) = ( 0.5000000 0.5000000 -0.3007619), wk = 0.0017331 k( 514) = ( 0.5000000 0.5000000 -0.3062963), wk = 0.0017331 k( 515) = ( 0.5000000 0.5000000 -0.3118307), wk = 0.0017331 k( 516) = ( 0.5000000 0.5000000 -0.3173651), wk = 0.0017331 k( 517) = ( 0.5000000 0.5000000 -0.3228995), wk = 0.0017331 k( 518) = ( 0.5000000 0.5000000 -0.3284339), wk = 0.0017331 k( 519) = ( 0.5000000 0.5000000 -0.3339683), wk = 0.0017331 k( 520) = ( 0.5000000 0.5000000 -0.3395027), wk = 0.0017331 k( 521) = ( 0.5000000 0.5000000 -0.3450371), wk = 0.0017331 k( 522) = ( 0.5000000 0.5000000 -0.3505715), wk = 0.0017331 k( 523) = ( 0.5000000 0.5000000 -0.3561058), wk = 0.0017331 k( 524) = ( 0.5000000 0.5000000 -0.3616402), wk = 0.0017331 k( 525) = ( 0.5000000 0.5000000 -0.3671746), wk = 0.0017331 k( 526) = ( 0.5000000 0.5000000 -0.3727090), wk = 0.0017331 k( 527) = ( 0.5000000 0.5000000 -0.3782434), wk = 0.0017331 k( 528) = ( 0.5000000 0.5000000 -0.3837778), wk = 0.0017331 k( 529) = ( 0.5000000 0.5000000 -0.3893122), wk = 0.0017331 k( 530) = ( 0.5000000 0.5000000 -0.3948466), wk = 0.0017331 k( 531) = ( 0.5000000 0.5000000 -0.4003810), wk = 0.0017331 k( 532) = ( 0.5000000 0.5000000 -0.4059154), wk = 0.0017331 k( 533) = ( 0.5000000 0.5000000 -0.4114498), wk = 0.0017331 k( 534) = ( 0.5000000 0.5000000 -0.4169841), wk = 0.0017331 k( 535) = ( 0.5000000 0.5000000 -0.4225185), wk = 0.0017331 k( 536) = ( 0.5000000 0.5000000 -0.4280529), wk = 0.0017331 k( 537) = ( 0.5000000 0.5000000 -0.4335873), wk = 0.0017331 k( 538) = ( 0.5000000 0.5000000 -0.4391217), wk = 0.0017331 k( 539) = ( 0.5000000 0.5000000 -0.4446561), wk = 0.0017331 k( 540) = ( 0.5000000 0.5000000 -0.4501905), wk = 0.0017331 k( 541) = ( 0.5000000 0.5000000 -0.4557249), wk = 0.0017331 k( 542) = ( 0.5000000 0.5000000 -0.4612593), wk = 0.0017331 k( 543) = ( 0.5000000 0.5000000 -0.4667937), wk = 0.0017331 k( 544) = ( 0.5000000 0.5000000 -0.4723280), wk = 0.0017331 k( 545) = ( 0.5000000 0.5000000 -0.4778624), wk = 0.0017331 k( 546) = ( 0.5000000 0.5000000 -0.4833968), wk = 0.0017331 k( 547) = ( 0.5000000 0.5000000 -0.4889312), wk = 0.0017331 k( 548) = ( 0.5000000 0.5000000 -0.4944656), wk = 0.0017331 k( 549) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0017331 k( 550) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017331 k( 551) = ( 0.0092593 0.0092593 0.4907407), wk = 0.0017331 k( 552) = ( 0.0185185 0.0185185 0.4814815), wk = 0.0017331 k( 553) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0017331 k( 554) = ( 0.0370370 0.0370370 0.4629630), wk = 0.0017331 k( 555) = ( 0.0462963 0.0462963 0.4537037), wk = 0.0017331 k( 556) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0017331 k( 557) = ( 0.0648148 0.0648148 0.4351852), wk = 0.0017331 k( 558) = ( 0.0740741 0.0740741 0.4259259), wk = 0.0017331 k( 559) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0017331 k( 560) = ( 0.0925926 0.0925926 0.4074074), wk = 0.0017331 k( 561) = ( 0.1018518 0.1018519 0.3981481), wk = 0.0017331 k( 562) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0017331 k( 563) = ( 0.1203704 0.1203704 0.3796296), wk = 0.0017331 k( 564) = ( 0.1296296 0.1296296 0.3703704), wk = 0.0017331 k( 565) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0017331 k( 566) = ( 0.1481482 0.1481482 0.3518519), wk = 0.0017331 k( 567) = ( 0.1574074 0.1574074 0.3425926), wk = 0.0017331 k( 568) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0017331 k( 569) = ( 0.1759259 0.1759259 0.3240741), wk = 0.0017331 k( 570) = ( 0.1851852 0.1851852 0.3148148), wk = 0.0017331 k( 571) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0017331 k( 572) = ( 0.2037037 0.2037037 0.2962963), wk = 0.0017331 k( 573) = ( 0.2129630 0.2129630 0.2870370), wk = 0.0017331 k( 574) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0017331 k( 575) = ( 0.2314815 0.2314815 0.2685185), wk = 0.0017331 k( 576) = ( 0.2407407 0.2407407 0.2592593), wk = 0.0017331 k( 577) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0017331 Dense grid: 12293 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 4815 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 42, 22) NL pseudopotentials 0.01 Mb ( 21, 42) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 385) G-vector shells 0.00 Mb ( 178) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.06 Mb ( 42, 88) Each subspace H/S matrix 0.12 Mb ( 88, 88) Each matrix 0.03 Mb ( 42, 2, 22) Check: negative/imaginary core charge= -0.000013 0.000000 The potential is recalculated from file : ./CN2.save/charge-density.dat Starting wfc are 24 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.5 secs Computing kpt #: 5 total cpu time spent up to now is 4.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.3 secs Computing kpt #: 13 total cpu time spent up to now is 5.4 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.6 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 5.9 secs Computing kpt #: 19 total cpu time spent up to now is 5.9 secs Computing kpt #: 20 total cpu time spent up to now is 6.0 secs Computing kpt #: 21 total cpu time spent up to now is 6.1 secs Computing kpt #: 22 total cpu time spent up to now is 6.2 secs Computing kpt #: 23 total cpu time spent up to now is 6.3 secs Computing kpt #: 24 total cpu time spent up to now is 6.4 secs Computing kpt #: 25 total cpu time spent up to now is 6.5 secs Computing kpt #: 26 total cpu time spent up to now is 6.6 secs Computing kpt #: 27 total cpu time spent up to now is 6.7 secs Computing kpt #: 28 total cpu time spent up to now is 6.8 secs Computing kpt #: 29 total cpu time spent up to now is 6.8 secs Computing kpt #: 30 total cpu time spent up to now is 6.9 secs Computing kpt #: 31 total cpu time spent up to now is 7.0 secs Computing kpt #: 32 total cpu time spent up to now is 7.1 secs Computing kpt #: 33 total cpu time spent up to now is 7.2 secs Computing kpt #: 34 total cpu time spent up to now is 7.3 secs Computing kpt #: 35 total cpu time spent up to now is 7.4 secs Computing kpt #: 36 total cpu time spent up to now is 7.5 secs Computing kpt #: 37 total cpu time spent up to now is 7.6 secs Computing kpt #: 38 total cpu time spent up to now is 7.6 secs Computing kpt #: 39 total cpu time spent up to now is 7.7 secs Computing kpt #: 40 total cpu time spent up to now is 7.8 secs Computing kpt #: 41 total cpu time spent up to now is 7.9 secs Computing kpt #: 42 total cpu time spent up to now is 8.0 secs Computing kpt #: 43 total cpu time spent up to now is 8.1 secs Computing kpt #: 44 total cpu time spent up to now is 8.2 secs Computing kpt #: 45 total cpu time spent up to now is 8.3 secs Computing kpt #: 46 total cpu time spent up to now is 8.3 secs Computing kpt #: 47 total cpu time spent up to now is 8.4 secs Computing kpt #: 48 total cpu time spent up to now is 8.5 secs Computing kpt #: 49 total cpu time spent up to now is 8.6 secs Computing kpt #: 50 total cpu time spent up to now is 8.7 secs Computing kpt #: 51 total cpu time spent up to now is 8.8 secs Computing kpt #: 52 total cpu time spent up to now is 8.9 secs Computing kpt #: 53 total cpu time spent up to now is 9.0 secs Computing kpt #: 54 total cpu time spent up to now is 9.0 secs Computing kpt #: 55 total cpu time spent up to now is 9.1 secs Computing kpt #: 56 total cpu time spent up to now is 9.2 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.6 secs Computing kpt #: 61 total cpu time spent up to now is 9.6 secs Computing kpt #: 62 total cpu time spent up to now is 9.7 secs Computing kpt #: 63 total cpu time spent up to now is 9.8 secs Computing kpt #: 64 total cpu time spent up to now is 9.9 secs Computing kpt #: 65 total cpu time spent up to now is 10.0 secs Computing kpt #: 66 total cpu time spent up to now is 10.1 secs Computing kpt #: 67 total cpu time spent up to now is 10.1 secs Computing kpt #: 68 total cpu time spent up to now is 10.2 secs Computing kpt #: 69 total cpu time spent up to now is 10.3 secs Computing kpt #: 70 total cpu time spent up to now is 10.4 secs Computing kpt #: 71 total cpu time spent up to now is 10.5 secs Computing kpt #: 72 total cpu time spent up to now is 10.6 secs Computing kpt #: 73 total cpu time spent up to now is 10.7 secs Computing kpt #: 74 total cpu time spent up to now is 10.7 secs Computing kpt #: 75 total cpu time spent up to now is 10.8 secs Computing kpt #: 76 total cpu time spent up to now is 10.9 secs Computing kpt #: 77 total cpu time spent up to now is 11.0 secs Computing kpt #: 78 total cpu time spent up to now is 11.1 secs Computing kpt #: 79 total cpu time spent up to now is 11.2 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.5 secs Computing kpt #: 84 total cpu time spent up to now is 11.6 secs Computing kpt #: 85 total cpu time spent up to now is 11.7 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 11.8 secs Computing kpt #: 88 total cpu time spent up to now is 11.9 secs Computing kpt #: 89 total cpu time spent up to now is 12.0 secs Computing kpt #: 90 total cpu time spent up to now is 12.1 secs Computing kpt #: 91 total cpu time spent up to now is 12.2 secs Computing kpt #: 92 total cpu time spent up to now is 12.2 secs Computing kpt #: 93 total cpu time spent up to now is 12.3 secs Computing kpt #: 94 total cpu time spent up to now is 12.4 secs Computing kpt #: 95 total cpu time spent up to now is 12.5 secs Computing kpt #: 96 total cpu time spent up to now is 12.6 secs Computing kpt #: 97 total cpu time spent up to now is 12.7 secs Computing kpt #: 98 total cpu time spent up to now is 12.8 secs Computing kpt #: 99 total cpu time spent up to now is 12.8 secs Computing kpt #: 100 total cpu time spent up to now is 12.9 secs Computing kpt #: 101 total cpu time spent up to now is 13.0 secs Computing kpt #: 102 total cpu time spent up to now is 13.1 secs Computing kpt #: 103 total cpu time spent up to now is 13.2 secs Computing kpt #: 104 total cpu time spent up to now is 13.3 secs Computing kpt #: 105 total cpu time spent up to now is 13.3 secs Computing kpt #: 106 total cpu time spent up to now is 13.4 secs Computing kpt #: 107 total cpu time spent up to now is 13.5 secs Computing kpt #: 108 total cpu time spent up to now is 13.6 secs Computing kpt #: 109 total cpu time spent up to now is 13.7 secs Computing kpt #: 110 total cpu time spent up to now is 13.8 secs Computing kpt #: 111 total cpu time spent up to now is 13.8 secs Computing kpt #: 112 total cpu time spent up to now is 13.9 secs Computing kpt #: 113 total cpu time spent up to now is 14.0 secs Computing kpt #: 114 total cpu time spent up to now is 14.1 secs Computing kpt #: 115 total cpu time spent up to now is 14.2 secs Computing kpt #: 116 total cpu time spent up to now is 14.3 secs Computing kpt #: 117 total cpu time spent up to now is 14.4 secs Computing kpt #: 118 total cpu time spent up to now is 14.5 secs Computing kpt #: 119 total cpu time spent up to now is 14.6 secs Computing kpt #: 120 total cpu time spent up to now is 14.7 secs Computing kpt #: 121 total cpu time spent up to now is 14.8 secs Computing kpt #: 122 total cpu time spent up to now is 14.9 secs Computing kpt #: 123 total cpu time spent up to now is 15.0 secs Computing kpt #: 124 total cpu time spent up to now is 15.1 secs Computing kpt #: 125 total cpu time spent up to now is 15.2 secs Computing kpt #: 126 total cpu time spent up to now is 15.3 secs Computing kpt #: 127 total cpu time spent up to now is 15.4 secs Computing kpt #: 128 total cpu time spent up to now is 15.5 secs Computing kpt #: 129 total cpu time spent up to now is 15.6 secs Computing kpt #: 130 total cpu time spent up to now is 15.7 secs Computing kpt #: 131 total cpu time spent up to now is 15.8 secs Computing kpt #: 132 total cpu time spent up to now is 15.9 secs Computing kpt #: 133 total cpu time spent up to now is 15.9 secs Computing kpt #: 134 total cpu time spent up to now is 16.0 secs Computing kpt #: 135 total cpu time spent up to now is 16.1 secs Computing kpt #: 136 total cpu time spent up to now is 16.2 secs Computing kpt #: 137 total cpu time spent up to now is 16.3 secs Computing kpt #: 138 total cpu time spent up to now is 16.4 secs Computing kpt #: 139 total cpu time spent up to now is 16.5 secs Computing kpt #: 140 total cpu time spent up to now is 16.6 secs Computing kpt #: 141 total cpu time spent up to now is 16.7 secs Computing kpt #: 142 total cpu time spent up to now is 16.8 secs Computing kpt #: 143 total cpu time spent up to now is 16.9 secs Computing kpt #: 144 total cpu time spent up to now is 17.0 secs Computing kpt #: 145 total cpu time spent up to now is 17.0 secs Computing kpt #: 146 total cpu time spent up to now is 17.1 secs Computing kpt #: 147 total cpu time spent up to now is 17.2 secs Computing kpt #: 148 total cpu time spent up to now is 17.3 secs Computing kpt #: 149 total cpu time spent up to now is 17.4 secs Computing kpt #: 150 total cpu time spent up to now is 17.5 secs Computing kpt #: 151 total cpu time spent up to now is 17.6 secs Computing kpt #: 152 total cpu time spent up to now is 17.7 secs Computing kpt #: 153 total cpu time spent up to now is 17.8 secs Computing kpt #: 154 total cpu time spent up to now is 17.9 secs Computing kpt #: 155 total cpu time spent up to now is 18.0 secs Computing kpt #: 156 total cpu time spent up to now is 18.1 secs Computing kpt #: 157 total cpu time spent up to now is 18.2 secs Computing kpt #: 158 total cpu time spent up to now is 18.2 secs Computing kpt #: 159 total cpu time spent up to now is 18.3 secs Computing kpt #: 160 total cpu time spent up to now is 18.4 secs Computing kpt #: 161 total cpu time spent up to now is 18.5 secs Computing kpt #: 162 total cpu time spent up to now is 18.6 secs Computing kpt #: 163 total cpu time spent up to now is 18.7 secs Computing kpt #: 164 total cpu time spent up to now is 18.8 secs Computing kpt #: 165 total cpu time spent up to now is 18.9 secs Computing kpt #: 166 total cpu time spent up to now is 19.0 secs Computing kpt #: 167 total cpu time spent up to now is 19.0 secs Computing kpt #: 168 total cpu time spent up to now is 19.1 secs Computing kpt #: 169 total cpu time spent up to now is 19.2 secs Computing kpt #: 170 total cpu time spent up to now is 19.3 secs Computing kpt #: 171 total cpu time spent up to now is 19.4 secs Computing kpt #: 172 total cpu time spent up to now is 19.5 secs Computing kpt #: 173 total cpu time spent up to now is 19.6 secs Computing kpt #: 174 total cpu time spent up to now is 19.7 secs Computing kpt #: 175 total cpu time spent up to now is 19.7 secs Computing kpt #: 176 total cpu time spent up to now is 19.8 secs Computing kpt #: 177 total cpu time spent up to now is 19.9 secs Computing kpt #: 178 total cpu time spent up to now is 20.0 secs Computing kpt #: 179 total cpu time spent up to now is 20.1 secs Computing kpt #: 180 total cpu time spent up to now is 20.2 secs Computing kpt #: 181 total cpu time spent up to now is 20.2 secs Computing kpt #: 182 total cpu time spent up to now is 20.3 secs Computing kpt #: 183 total cpu time spent up to now is 20.4 secs Computing kpt #: 184 total cpu time spent up to now is 20.5 secs Computing kpt #: 185 total cpu time spent up to now is 20.6 secs Computing kpt #: 186 total cpu time spent up to now is 20.7 secs Computing kpt #: 187 total cpu time spent up to now is 20.7 secs Computing kpt #: 188 total cpu time spent up to now is 20.8 secs Computing kpt #: 189 total cpu time spent up to now is 20.9 secs Computing kpt #: 190 total cpu time spent up to now is 21.0 secs Computing kpt #: 191 total cpu time spent up to now is 21.1 secs Computing kpt #: 192 total cpu time spent up to now is 21.2 secs Computing kpt #: 193 total cpu time spent up to now is 21.3 secs Computing kpt #: 194 total cpu time spent up to now is 21.3 secs Computing kpt #: 195 total cpu time spent up to now is 21.4 secs Computing kpt #: 196 total cpu time spent up to now is 21.5 secs Computing kpt #: 197 total cpu time spent up to now is 21.6 secs Computing kpt #: 198 total cpu time spent up to now is 21.7 secs Computing kpt #: 199 total cpu time spent up to now is 21.8 secs Computing kpt #: 200 total cpu time spent up to now is 21.9 secs Computing kpt #: 201 total cpu time spent up to now is 22.0 secs Computing kpt #: 202 total cpu time spent up to now is 22.1 secs Computing kpt #: 203 total cpu time spent up to now is 22.1 secs Computing kpt #: 204 total cpu time spent up to now is 22.2 secs Computing kpt #: 205 total cpu time spent up to now is 22.3 secs Computing kpt #: 206 total cpu time spent up to now is 22.4 secs Computing kpt #: 207 total cpu time spent up to now is 22.5 secs Computing kpt #: 208 total cpu time spent up to now is 22.6 secs Computing kpt #: 209 total cpu time spent up to now is 22.7 secs Computing kpt #: 210 total cpu time spent up to now is 22.8 secs Computing kpt #: 211 total cpu time spent up to now is 22.9 secs Computing kpt #: 212 total cpu time spent up to now is 23.0 secs Computing kpt #: 213 total cpu time spent up to now is 23.0 secs Computing kpt #: 214 total cpu time spent up to now is 23.1 secs Computing kpt #: 215 total cpu time spent up to now is 23.2 secs Computing kpt #: 216 total cpu time spent up to now is 23.3 secs Computing kpt #: 217 total cpu time spent up to now is 23.5 secs Computing kpt #: 218 total cpu time spent up to now is 23.6 secs Computing kpt #: 219 total cpu time spent up to now is 23.7 secs Computing kpt #: 220 total cpu time spent up to now is 23.8 secs Computing kpt #: 221 total cpu time spent up to now is 24.0 secs Computing kpt #: 222 total cpu time spent up to now is 24.1 secs Computing kpt #: 223 total cpu time spent up to now is 24.2 secs Computing kpt #: 224 total cpu time spent up to now is 24.3 secs Computing kpt #: 225 total cpu time spent up to now is 24.3 secs Computing kpt #: 226 total cpu time spent up to now is 24.4 secs Computing kpt #: 227 total cpu time spent up to now is 24.5 secs Computing kpt #: 228 total cpu time spent up to now is 24.6 secs Computing kpt #: 229 total cpu time spent up to now is 24.7 secs Computing kpt #: 230 total cpu time spent up to now is 24.8 secs Computing kpt #: 231 total cpu time spent up to now is 24.9 secs Computing kpt #: 232 total cpu time spent up to now is 25.0 secs Computing kpt #: 233 total cpu time spent up to now is 25.1 secs Computing kpt #: 234 total cpu time spent up to now is 25.2 secs Computing kpt #: 235 total cpu time spent up to now is 25.3 secs Computing kpt #: 236 total cpu time spent up to now is 25.4 secs Computing kpt #: 237 total cpu time spent up to now is 25.5 secs Computing kpt #: 238 total cpu time spent up to now is 25.6 secs Computing kpt #: 239 total cpu time spent up to now is 25.7 secs Computing kpt #: 240 total cpu time spent up to now is 25.8 secs Computing kpt #: 241 total cpu time spent up to now is 25.9 secs Computing kpt #: 242 total cpu time spent up to now is 26.0 secs Computing kpt #: 243 total cpu time spent up to now is 26.1 secs Computing kpt #: 244 total cpu time spent up to now is 26.2 secs Computing kpt #: 245 total cpu time spent up to now is 26.2 secs Computing kpt #: 246 total cpu time spent up to now is 26.3 secs Computing kpt #: 247 total cpu time spent up to now is 26.4 secs Computing kpt #: 248 total cpu time spent up to now is 26.5 secs Computing kpt #: 249 total cpu time spent up to now is 26.6 secs Computing kpt #: 250 total cpu time spent up to now is 26.7 secs Computing kpt #: 251 total cpu time spent up to now is 26.8 secs Computing kpt #: 252 total cpu time spent up to now is 26.9 secs Computing kpt #: 253 total cpu time spent up to now is 27.0 secs Computing kpt #: 254 total cpu time spent up to now is 27.1 secs Computing kpt #: 255 total cpu time spent up to now is 27.2 secs Computing kpt #: 256 total cpu time spent up to now is 27.3 secs Computing kpt #: 257 total cpu time spent up to now is 27.4 secs Computing kpt #: 258 total cpu time spent up to now is 27.5 secs Computing kpt #: 259 total cpu time spent up to now is 27.7 secs Computing kpt #: 260 total cpu time spent up to now is 27.8 secs Computing kpt #: 261 total cpu time spent up to now is 27.9 secs Computing kpt #: 262 total cpu time spent up to now is 28.1 secs Computing kpt #: 263 total cpu time spent up to now is 28.2 secs Computing kpt #: 264 total cpu time spent up to now is 28.3 secs Computing kpt #: 265 total cpu time spent up to now is 28.5 secs Computing kpt #: 266 total cpu time spent up to now is 28.6 secs Computing kpt #: 267 total cpu time spent up to now is 28.8 secs Computing kpt #: 268 total cpu time spent up to now is 28.9 secs Computing kpt #: 269 total cpu time spent up to now is 29.0 secs Computing kpt #: 270 total cpu time spent up to now is 29.1 secs Computing kpt #: 271 total cpu time spent up to now is 29.3 secs Computing kpt #: 272 total cpu time spent up to now is 29.4 secs Computing kpt #: 273 total cpu time spent up to now is 29.5 secs Computing kpt #: 274 total cpu time spent up to now is 29.6 secs Computing kpt #: 275 total cpu time spent up to now is 29.8 secs Computing kpt #: 276 total cpu time spent up to now is 29.9 secs Computing kpt #: 277 total cpu time spent up to now is 30.0 secs Computing kpt #: 278 total cpu time spent up to now is 30.1 secs Computing kpt #: 279 total cpu time spent up to now is 30.2 secs Computing kpt #: 280 total cpu time spent up to now is 30.3 secs Computing kpt #: 281 total cpu time spent up to now is 30.4 secs Computing kpt #: 282 total cpu time spent up to now is 30.5 secs Computing kpt #: 283 total cpu time spent up to now is 30.6 secs Computing kpt #: 284 total cpu time spent up to now is 30.7 secs Computing kpt #: 285 total cpu time spent up to now is 30.8 secs Computing kpt #: 286 total cpu time spent up to now is 30.8 secs Computing kpt #: 287 total cpu time spent up to now is 30.9 secs Computing kpt #: 288 total cpu time spent up to now is 31.0 secs Computing kpt #: 289 total cpu time spent up to now is 31.1 secs Computing kpt #: 290 total cpu time spent up to now is 31.2 secs Computing kpt #: 291 total cpu time spent up to now is 31.3 secs Computing kpt #: 292 total cpu time spent up to now is 31.4 secs Computing kpt #: 293 total cpu time spent up to now is 31.4 secs Computing kpt #: 294 total cpu time spent up to now is 31.5 secs Computing kpt #: 295 total cpu time spent up to now is 31.6 secs Computing kpt #: 296 total cpu time spent up to now is 31.7 secs Computing kpt #: 297 total cpu time spent up to now is 31.8 secs Computing kpt #: 298 total cpu time spent up to now is 31.9 secs Computing kpt #: 299 total cpu time spent up to now is 32.0 secs Computing kpt #: 300 total cpu time spent up to now is 32.1 secs Computing kpt #: 301 total cpu time spent up to now is 32.1 secs Computing kpt #: 302 total cpu time spent up to now is 32.2 secs Computing kpt #: 303 total cpu time spent up to now is 32.3 secs Computing kpt #: 304 total cpu time spent up to now is 32.4 secs Computing kpt #: 305 total cpu time spent up to now is 32.5 secs Computing kpt #: 306 total cpu time spent up to now is 32.6 secs Computing kpt #: 307 total cpu time spent up to now is 32.7 secs Computing kpt #: 308 total cpu time spent up to now is 32.8 secs Computing kpt #: 309 total cpu time spent up to now is 32.9 secs Computing kpt #: 310 total cpu time spent up to now is 32.9 secs Computing kpt #: 311 total cpu time spent up to now is 33.0 secs Computing kpt #: 312 total cpu time spent up to now is 33.1 secs Computing kpt #: 313 total cpu time spent up to now is 33.2 secs Computing kpt #: 314 total cpu time spent up to now is 33.3 secs Computing kpt #: 315 total cpu time spent up to now is 33.4 secs Computing kpt #: 316 total cpu time spent up to now is 33.5 secs Computing kpt #: 317 total cpu time spent up to now is 33.5 secs Computing kpt #: 318 total cpu time spent up to now is 33.6 secs Computing kpt #: 319 total cpu time spent up to now is 33.7 secs Computing kpt #: 320 total cpu time spent up to now is 33.8 secs Computing kpt #: 321 total cpu time spent up to now is 33.9 secs Computing kpt #: 322 total cpu time spent up to now is 34.0 secs Computing kpt #: 323 total cpu time spent up to now is 34.1 secs Computing kpt #: 324 total cpu time spent up to now is 34.1 secs Computing kpt #: 325 total cpu time spent up to now is 34.2 secs Computing kpt #: 326 total cpu time spent up to now is 34.3 secs Computing kpt #: 327 total cpu time spent up to now is 34.4 secs Computing kpt #: 328 total cpu time spent up to now is 34.5 secs Computing kpt #: 329 total cpu time spent up to now is 34.6 secs Computing kpt #: 330 total cpu time spent up to now is 34.7 secs Computing kpt #: 331 total cpu time spent up to now is 34.7 secs Computing kpt #: 332 total cpu time spent up to now is 34.8 secs Computing kpt #: 333 total cpu time spent up to now is 34.9 secs Computing kpt #: 334 total cpu time spent up to now is 35.0 secs Computing kpt #: 335 total cpu time spent up to now is 35.1 secs Computing kpt #: 336 total cpu time spent up to now is 35.2 secs Computing kpt #: 337 total cpu time spent up to now is 35.3 secs Computing kpt #: 338 total cpu time spent up to now is 35.4 secs Computing kpt #: 339 total cpu time spent up to now is 35.4 secs Computing kpt #: 340 total cpu time spent up to now is 35.5 secs Computing kpt #: 341 total cpu time spent up to now is 35.6 secs Computing kpt #: 342 total cpu time spent up to now is 35.7 secs Computing kpt #: 343 total cpu time spent up to now is 35.8 secs Computing kpt #: 344 total cpu time spent up to now is 35.9 secs Computing kpt #: 345 total cpu time spent up to now is 35.9 secs Computing kpt #: 346 total cpu time spent up to now is 36.0 secs Computing kpt #: 347 total cpu time spent up to now is 36.1 secs Computing kpt #: 348 total cpu time spent up to now is 36.2 secs Computing kpt #: 349 total cpu time spent up to now is 36.3 secs Computing kpt #: 350 total cpu time spent up to now is 36.4 secs Computing kpt #: 351 total cpu time spent up to now is 36.4 secs Computing kpt #: 352 total cpu time spent up to now is 36.5 secs Computing kpt #: 353 total cpu time spent up to now is 36.6 secs Computing kpt #: 354 total cpu time spent up to now is 36.7 secs Computing kpt #: 355 total cpu time spent up to now is 36.8 secs Computing kpt #: 356 total cpu time spent up to now is 36.9 secs Computing kpt #: 357 total cpu time spent up to now is 37.0 secs Computing kpt #: 358 total cpu time spent up to now is 37.0 secs Computing kpt #: 359 total cpu time spent up to now is 37.1 secs Computing kpt #: 360 total cpu time spent up to now is 37.2 secs Computing kpt #: 361 total cpu time spent up to now is 37.3 secs Computing kpt #: 362 total cpu time spent up to now is 37.4 secs Computing kpt #: 363 total cpu time spent up to now is 37.5 secs Computing kpt #: 364 total cpu time spent up to now is 37.6 secs Computing kpt #: 365 total cpu time spent up to now is 37.6 secs Computing kpt #: 366 total cpu time spent up to now is 37.7 secs Computing kpt #: 367 total cpu time spent up to now is 37.8 secs Computing kpt #: 368 total cpu time spent up to now is 37.9 secs Computing kpt #: 369 total cpu time spent up to now is 38.0 secs Computing kpt #: 370 total cpu time spent up to now is 38.1 secs Computing kpt #: 371 total cpu time spent up to now is 38.2 secs Computing kpt #: 372 total cpu time spent up to now is 38.3 secs Computing kpt #: 373 total cpu time spent up to now is 38.3 secs Computing kpt #: 374 total cpu time spent up to now is 38.4 secs Computing kpt #: 375 total cpu time spent up to now is 38.5 secs Computing kpt #: 376 total cpu time spent up to now is 38.6 secs Computing kpt #: 377 total cpu time spent up to now is 38.7 secs Computing kpt #: 378 total cpu time spent up to now is 38.8 secs Computing kpt #: 379 total cpu time spent up to now is 38.9 secs Computing kpt #: 380 total cpu time spent up to now is 38.9 secs Computing kpt #: 381 total cpu time spent up to now is 39.0 secs Computing kpt #: 382 total cpu time spent up to now is 39.1 secs Computing kpt #: 383 total cpu time spent up to now is 39.2 secs Computing kpt #: 384 total cpu time spent up to now is 39.3 secs Computing kpt #: 385 total cpu time spent up to now is 39.4 secs Computing kpt #: 386 total cpu time spent up to now is 39.5 secs Computing kpt #: 387 total cpu time spent up to now is 39.6 secs Computing kpt #: 388 total cpu time spent up to now is 39.7 secs Computing kpt #: 389 total cpu time spent up to now is 39.8 secs Computing kpt #: 390 total cpu time spent up to now is 39.9 secs Computing kpt #: 391 total cpu time spent up to now is 39.9 secs Computing kpt #: 392 total cpu time spent up to now is 40.0 secs Computing kpt #: 393 total cpu time spent up to now is 40.1 secs Computing kpt #: 394 total cpu time spent up to now is 40.2 secs Computing kpt #: 395 total cpu time spent up to now is 40.3 secs Computing kpt #: 396 total cpu time spent up to now is 40.4 secs Computing kpt #: 397 total cpu time spent up to now is 40.5 secs Computing kpt #: 398 total cpu time spent up to now is 40.6 secs Computing kpt #: 399 total cpu time spent up to now is 40.6 secs Computing kpt #: 400 total cpu time spent up to now is 40.7 secs Computing kpt #: 401 total cpu time spent up to now is 40.8 secs Computing kpt #: 402 total cpu time spent up to now is 40.9 secs Computing kpt #: 403 total cpu time spent up to now is 41.0 secs Computing kpt #: 404 total cpu time spent up to now is 41.1 secs Computing kpt #: 405 total cpu time spent up to now is 41.2 secs Computing kpt #: 406 total cpu time spent up to now is 41.3 secs Computing kpt #: 407 total cpu time spent up to now is 41.4 secs Computing kpt #: 408 total cpu time spent up to now is 41.5 secs Computing kpt #: 409 total cpu time spent up to now is 41.5 secs Computing kpt #: 410 total cpu time spent up to now is 41.6 secs Computing kpt #: 411 total cpu time spent up to now is 41.7 secs Computing kpt #: 412 total cpu time spent up to now is 41.8 secs Computing kpt #: 413 total cpu time spent up to now is 41.9 secs Computing kpt #: 414 total cpu time spent up to now is 42.0 secs Computing kpt #: 415 total cpu time spent up to now is 42.1 secs Computing kpt #: 416 total cpu time spent up to now is 42.2 secs Computing kpt #: 417 total cpu time spent up to now is 42.3 secs Computing kpt #: 418 total cpu time spent up to now is 42.3 secs Computing kpt #: 419 total cpu time spent up to now is 42.4 secs Computing kpt #: 420 total cpu time spent up to now is 42.5 secs Computing kpt #: 421 total cpu time spent up to now is 42.6 secs Computing kpt #: 422 total cpu time spent up to now is 42.7 secs Computing kpt #: 423 total cpu time spent up to now is 42.8 secs Computing kpt #: 424 total cpu time spent up to now is 42.9 secs Computing kpt #: 425 total cpu time spent up to now is 43.0 secs Computing kpt #: 426 total cpu time spent up to now is 43.1 secs Computing kpt #: 427 total cpu time spent up to now is 43.2 secs Computing kpt #: 428 total cpu time spent up to now is 43.3 secs Computing kpt #: 429 total cpu time spent up to now is 43.4 secs Computing kpt #: 430 total cpu time spent up to now is 43.5 secs Computing kpt #: 431 total cpu time spent up to now is 43.6 secs Computing kpt #: 432 total cpu time spent up to now is 43.7 secs Computing kpt #: 433 total cpu time spent up to now is 43.8 secs Computing kpt #: 434 total cpu time spent up to now is 43.9 secs Computing kpt #: 435 total cpu time spent up to now is 44.0 secs Computing kpt #: 436 total cpu time spent up to now is 44.1 secs Computing kpt #: 437 total cpu time spent up to now is 44.1 secs Computing kpt #: 438 total cpu time spent up to now is 44.2 secs Computing kpt #: 439 total cpu time spent up to now is 44.3 secs Computing kpt #: 440 total cpu time spent up to now is 44.4 secs Computing kpt #: 441 total cpu time spent up to now is 44.5 secs Computing kpt #: 442 total cpu time spent up to now is 44.6 secs Computing kpt #: 443 total cpu time spent up to now is 44.7 secs Computing kpt #: 444 total cpu time spent up to now is 44.8 secs Computing kpt #: 445 total cpu time spent up to now is 44.9 secs Computing kpt #: 446 total cpu time spent up to now is 45.0 secs Computing kpt #: 447 total cpu time spent up to now is 45.1 secs Computing kpt #: 448 total cpu time spent up to now is 45.2 secs Computing kpt #: 449 total cpu time spent up to now is 45.3 secs Computing kpt #: 450 total cpu time spent up to now is 45.4 secs Computing kpt #: 451 total cpu time spent up to now is 45.5 secs Computing kpt #: 452 total cpu time spent up to now is 45.6 secs Computing kpt #: 453 total cpu time spent up to now is 45.7 secs Computing kpt #: 454 total cpu time spent up to now is 45.9 secs Computing kpt #: 455 total cpu time spent up to now is 46.0 secs Computing kpt #: 456 total cpu time spent up to now is 46.1 secs Computing kpt #: 457 total cpu time spent up to now is 46.2 secs Computing kpt #: 458 total cpu time spent up to now is 46.3 secs Computing kpt #: 459 total cpu time spent up to now is 46.4 secs Computing kpt #: 460 total cpu time spent up to now is 46.5 secs Computing kpt #: 461 total cpu time spent up to now is 46.6 secs Computing kpt #: 462 total cpu time spent up to now is 46.7 secs Computing kpt #: 463 total cpu time spent up to now is 46.8 secs Computing kpt #: 464 total cpu time spent up to now is 46.8 secs Computing kpt #: 465 total cpu time spent up to now is 46.9 secs Computing kpt #: 466 total cpu time spent up to now is 47.0 secs Computing kpt #: 467 total cpu time spent up to now is 47.1 secs Computing kpt #: 468 total cpu time spent up to now is 47.2 secs Computing kpt #: 469 total cpu time spent up to now is 47.3 secs Computing kpt #: 470 total cpu time spent up to now is 47.4 secs Computing kpt #: 471 total cpu time spent up to now is 47.5 secs Computing kpt #: 472 total cpu time spent up to now is 47.6 secs Computing kpt #: 473 total cpu time spent up to now is 47.7 secs Computing kpt #: 474 total cpu time spent up to now is 47.7 secs Computing kpt #: 475 total cpu time spent up to now is 47.8 secs Computing kpt #: 476 total cpu time spent up to now is 47.9 secs Computing kpt #: 477 total cpu time spent up to now is 48.0 secs Computing kpt #: 478 total cpu time spent up to now is 48.1 secs Computing kpt #: 479 total cpu time spent up to now is 48.2 secs Computing kpt #: 480 total cpu time spent up to now is 48.2 secs Computing kpt #: 481 total cpu time spent up to now is 48.3 secs Computing kpt #: 482 total cpu time spent up to now is 48.4 secs Computing kpt #: 483 total cpu time spent up to now is 48.5 secs Computing kpt #: 484 total cpu time spent up to now is 48.6 secs Computing kpt #: 485 total cpu time spent up to now is 48.7 secs Computing kpt #: 486 total cpu time spent up to now is 48.7 secs Computing kpt #: 487 total cpu time spent up to now is 48.8 secs Computing kpt #: 488 total cpu time spent up to now is 48.9 secs Computing kpt #: 489 total cpu time spent up to now is 49.0 secs Computing kpt #: 490 total cpu time spent up to now is 49.1 secs Computing kpt #: 491 total cpu time spent up to now is 49.2 secs Computing kpt #: 492 total cpu time spent up to now is 49.2 secs Computing kpt #: 493 total cpu time spent up to now is 49.3 secs Computing kpt #: 494 total cpu time spent up to now is 49.4 secs Computing kpt #: 495 total cpu time spent up to now is 49.5 secs Computing kpt #: 496 total cpu time spent up to now is 49.6 secs Computing kpt #: 497 total cpu time spent up to now is 49.7 secs Computing kpt #: 498 total cpu time spent up to now is 49.8 secs Computing kpt #: 499 total cpu time spent up to now is 49.8 secs Computing kpt #: 500 total cpu time spent up to now is 49.9 secs Computing kpt #: 501 total cpu time spent up to now is 50.0 secs Computing kpt #: 502 total cpu time spent up to now is 50.1 secs Computing kpt #: 503 total cpu time spent up to now is 50.2 secs Computing kpt #: 504 total cpu time spent up to now is 50.3 secs Computing kpt #: 505 total cpu time spent up to now is 50.4 secs Computing kpt #: 506 total cpu time spent up to now is 50.4 secs Computing kpt #: 507 total cpu time spent up to now is 50.5 secs Computing kpt #: 508 total cpu time spent up to now is 50.6 secs Computing kpt #: 509 total cpu time spent up to now is 50.7 secs Computing kpt #: 510 total cpu time spent up to now is 50.8 secs Computing kpt #: 511 total cpu time spent up to now is 50.9 secs Computing kpt #: 512 total cpu time spent up to now is 50.9 secs Computing kpt #: 513 total cpu time spent up to now is 51.0 secs Computing kpt #: 514 total cpu time spent up to now is 51.1 secs Computing kpt #: 515 total cpu time spent up to now is 51.2 secs Computing kpt #: 516 total cpu time spent up to now is 51.3 secs Computing kpt #: 517 total cpu time spent up to now is 51.4 secs Computing kpt #: 518 total cpu time spent up to now is 51.5 secs Computing kpt #: 519 total cpu time spent up to now is 51.6 secs Computing kpt #: 520 total cpu time spent up to now is 51.7 secs Computing kpt #: 521 total cpu time spent up to now is 51.7 secs Computing kpt #: 522 total cpu time spent up to now is 51.8 secs Computing kpt #: 523 total cpu time spent up to now is 51.9 secs Computing kpt #: 524 total cpu time spent up to now is 52.0 secs Computing kpt #: 525 total cpu time spent up to now is 52.1 secs Computing kpt #: 526 total cpu time spent up to now is 52.2 secs Computing kpt #: 527 total cpu time spent up to now is 52.3 secs Computing kpt #: 528 total cpu time spent up to now is 52.3 secs Computing kpt #: 529 total cpu time spent up to now is 52.4 secs Computing kpt #: 530 total cpu time spent up to now is 52.5 secs Computing kpt #: 531 total cpu time spent up to now is 52.6 secs Computing kpt #: 532 total cpu time spent up to now is 52.7 secs Computing kpt #: 533 total cpu time spent up to now is 52.8 secs Computing kpt #: 534 total cpu time spent up to now is 52.9 secs Computing kpt #: 535 total cpu time spent up to now is 53.0 secs Computing kpt #: 536 total cpu time spent up to now is 53.0 secs Computing kpt #: 537 total cpu time spent up to now is 53.1 secs Computing kpt #: 538 total cpu time spent up to now is 53.2 secs Computing kpt #: 539 total cpu time spent up to now is 53.3 secs Computing kpt #: 540 total cpu time spent up to now is 53.4 secs Computing kpt #: 541 total cpu time spent up to now is 53.5 secs Computing kpt #: 542 total cpu time spent up to now is 53.6 secs Computing kpt #: 543 total cpu time spent up to now is 53.7 secs Computing kpt #: 544 total cpu time spent up to now is 53.8 secs Computing kpt #: 545 total cpu time spent up to now is 53.9 secs Computing kpt #: 546 total cpu time spent up to now is 53.9 secs Computing kpt #: 547 total cpu time spent up to now is 54.0 secs Computing kpt #: 548 total cpu time spent up to now is 54.1 secs Computing kpt #: 549 total cpu time spent up to now is 54.2 secs Computing kpt #: 550 total cpu time spent up to now is 54.3 secs Computing kpt #: 551 total cpu time spent up to now is 54.4 secs Computing kpt #: 552 total cpu time spent up to now is 54.5 secs Computing kpt #: 553 total cpu time spent up to now is 54.6 secs Computing kpt #: 554 total cpu time spent up to now is 54.7 secs Computing kpt #: 555 total cpu time spent up to now is 54.7 secs Computing kpt #: 556 total cpu time spent up to now is 54.8 secs Computing kpt #: 557 total cpu time spent up to now is 54.9 secs Computing kpt #: 558 total cpu time spent up to now is 55.0 secs Computing kpt #: 559 total cpu time spent up to now is 55.1 secs Computing kpt #: 560 total cpu time spent up to now is 55.2 secs Computing kpt #: 561 total cpu time spent up to now is 55.3 secs Computing kpt #: 562 total cpu time spent up to now is 55.4 secs Computing kpt #: 563 total cpu time spent up to now is 55.5 secs Computing kpt #: 564 total cpu time spent up to now is 55.6 secs Computing kpt #: 565 total cpu time spent up to now is 55.7 secs Computing kpt #: 566 total cpu time spent up to now is 55.8 secs Computing kpt #: 567 total cpu time spent up to now is 55.8 secs Computing kpt #: 568 total cpu time spent up to now is 55.9 secs Computing kpt #: 569 total cpu time spent up to now is 56.1 secs Computing kpt #: 570 total cpu time spent up to now is 56.2 secs Computing kpt #: 571 total cpu time spent up to now is 56.3 secs Computing kpt #: 572 total cpu time spent up to now is 56.4 secs Computing kpt #: 573 total cpu time spent up to now is 56.5 secs Computing kpt #: 574 total cpu time spent up to now is 56.6 secs Computing kpt #: 575 total cpu time spent up to now is 56.7 secs Computing kpt #: 576 total cpu time spent up to now is 56.8 secs Computing kpt #: 577 total cpu time spent up to now is 56.8 secs ethr = 7.14E-11, avg # of iterations = 15.7 total cpu time spent up to now is 56.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 583 PWs) bands (ev): -12.3042 -12.3042 -1.3243 -1.3243 -1.0520 -1.0520 5.8248 5.8248 5.8267 5.8267 10.0618 10.0618 10.0712 10.0712 14.9559 14.9559 19.6354 19.6354 22.5018 22.5018 23.1013 23.1013 k = 0.0000 0.0000 0.0110 ( 583 PWs) bands (ev): -12.3032 -12.3032 -1.3241 -1.3240 -1.0520 -1.0520 5.8223 5.8224 5.8243 5.8244 10.0602 10.0603 10.0697 10.0697 14.9605 14.9606 19.6383 19.6384 22.5012 22.5017 23.1043 23.1044 k = 0.0000 0.0000 0.0221 ( 583 PWs) bands (ev): -12.3003 -12.3003 -1.3235 -1.3234 -1.0521 -1.0520 5.8145 5.8146 5.8175 5.8178 10.0556 10.0557 10.0651 10.0651 14.9744 14.9744 19.6469 19.6472 22.4999 22.5010 23.1136 23.1137 k = 0.0000 0.0000 0.0331 ( 581 PWs) bands (ev): -12.2954 -12.2953 -1.3224 -1.3222 -1.0521 -1.0520 5.8012 5.8014 5.8068 5.8072 10.0479 10.0480 10.0575 10.0576 14.9974 14.9974 19.6614 19.6617 22.4981 22.4997 23.1289 23.1291 k = 0.0000 0.0000 0.0441 ( 581 PWs) bands (ev): -12.2885 -12.2885 -1.3209 -1.3207 -1.0523 -1.0521 5.7825 5.7827 5.7920 5.7926 10.0370 10.0371 10.0470 10.0470 15.0294 15.0295 19.6816 19.6820 22.4954 22.4975 23.1503 23.1505 k = 0.0000 0.0000 0.0552 ( 581 PWs) bands (ev): -12.2797 -12.2796 -1.3190 -1.3188 -1.0525 -1.0523 5.7586 5.7589 5.7732 5.7739 10.0229 10.0230 10.0337 10.0338 15.0704 15.0705 19.7074 19.7079 22.4920 22.4946 23.1776 23.1779 k = 0.0000 0.0000 0.0662 ( 581 PWs) bands (ev): -12.2689 -12.2689 -1.3167 -1.3164 -1.0527 -1.0525 5.7298 5.7302 5.7503 5.7512 10.0057 10.0057 10.0178 10.0179 15.1201 15.1202 19.7387 19.7394 22.4876 22.4906 23.2108 23.2111 k = 0.0000 0.0000 0.0772 ( 581 PWs) bands (ev): -12.2561 -12.2561 -1.3140 -1.3137 -1.0530 -1.0528 5.6962 5.6967 5.7235 5.7245 9.9853 9.9853 9.9994 9.9995 15.1783 15.1784 19.7754 19.7762 22.4821 22.4857 23.2495 23.2500 k = 0.0000 0.0000 0.0883 ( 581 PWs) bands (ev): -12.2414 -12.2414 -1.3109 -1.3105 -1.0535 -1.0532 5.6581 5.6587 5.6929 5.6940 9.9618 9.9618 9.9786 9.9788 15.2448 15.2449 19.8174 19.8182 22.4755 22.4795 23.2937 23.2942 k = 0.0000 0.0000 0.0993 ( 581 PWs) bands (ev): -12.2248 -12.2248 -1.3075 -1.3070 -1.0541 -1.0537 5.6158 5.6164 5.6585 5.6598 9.9353 9.9354 9.9555 9.9557 15.3193 15.3194 19.8644 19.8654 22.4676 22.4720 23.3429 23.3436 k = 0.0000 0.0000 0.1103 ( 581 PWs) bands (ev): -12.2062 -12.2062 -1.3037 -1.3032 -1.0548 -1.0544 5.5696 5.5702 5.6206 5.6220 9.9060 9.9062 9.9303 9.9305 15.4015 15.4017 19.9163 19.9174 22.4583 22.4630 23.3969 23.3977 k = 0.0000 0.0000 0.1214 ( 581 PWs) bands (ev): -12.1857 -12.1857 -1.2995 -1.2990 -1.0557 -1.0553 5.5196 5.5203 5.5791 5.5806 9.8740 9.8743 9.9029 9.9033 15.4911 15.4913 19.9729 19.9740 22.4474 22.4524 23.4550 23.4560 k = 0.0000 0.0000 0.1324 ( 585 PWs) bands (ev): -12.1633 -12.1633 -1.2951 -1.2945 -1.0568 -1.0563 5.4662 5.4670 5.5342 5.5359 9.8392 9.8395 9.8737 9.8740 15.5878 15.5881 20.0338 20.0350 22.4347 22.4401 23.5167 23.5178 k = 0.0000 0.0000 0.1434 ( 585 PWs) bands (ev): -12.1389 -12.1389 -1.2903 -1.2897 -1.0581 -1.0577 5.4097 5.4106 5.4862 5.4880 9.8021 9.8025 9.8426 9.8431 15.6913 15.6916 20.0989 20.1001 22.4203 22.4259 23.5807 23.5821 k = 0.0000 0.0000 0.1545 ( 585 PWs) bands (ev): -12.1126 -12.1126 -1.2853 -1.2846 -1.0597 -1.0592 5.3505 5.3514 5.4351 5.4370 9.7627 9.7631 9.8100 9.8105 15.8014 15.8016 20.1678 20.1691 22.4039 22.4098 23.6455 23.6472 k = 0.0000 0.0000 0.1655 ( 585 PWs) bands (ev): -12.0845 -12.0845 -1.2800 -1.2792 -1.0617 -1.0612 5.2888 5.2897 5.3811 5.3831 9.7212 9.7216 9.7759 9.7764 15.9175 15.9178 20.2402 20.2416 22.3855 22.3916 23.7083 23.7104 k = 0.0000 0.0000 0.1765 ( 585 PWs) bands (ev): -12.0544 -12.0544 -1.2745 -1.2737 -1.0640 -1.0634 5.2248 5.2258 5.3243 5.3265 9.6776 9.6781 9.7405 9.7411 16.0395 16.0399 20.3159 20.3174 22.3650 22.3712 23.7646 23.7673 k = 0.0000 0.0000 0.1876 ( 591 PWs) bands (ev): -12.0225 -12.0224 -1.2689 -1.2680 -1.0667 -1.0661 5.1588 5.1599 5.2649 5.2672 9.6319 9.6324 9.7038 9.7044 16.1671 16.1674 20.3944 20.3959 22.3422 22.3486 23.8074 23.8107 k = 0.0000 0.0000 0.1986 ( 591 PWs) bands (ev): -11.9886 -11.9886 -1.2631 -1.2621 -1.0699 -1.0693 5.0914 5.0925 5.2031 5.2055 9.5846 9.5852 9.6663 9.6670 16.2998 16.3002 20.4753 20.4769 22.3172 22.3237 23.8284 23.8323 k = 0.0000 0.0000 0.2096 ( 591 PWs) bands (ev): -11.9529 -11.9529 -1.2571 -1.2561 -1.0735 -1.0729 5.0225 5.0236 5.1391 5.1416 9.5357 9.5363 9.6282 9.6289 16.4375 16.4380 20.5584 20.5599 22.2899 22.2965 23.8230 23.8272 k = 0.0000 0.0000 0.2207 ( 595 PWs) bands (ev): -11.9154 -11.9154 -1.2511 -1.2501 -1.0777 -1.0770 4.9525 4.9537 5.0729 5.0756 9.4852 9.4859 9.5894 9.5902 16.5798 16.5803 20.6429 20.6444 22.2599 22.2666 23.7934 23.7976 k = 0.0000 0.0000 0.2317 ( 595 PWs) bands (ev): -11.8760 -11.8760 -1.2450 -1.2439 -1.0824 -1.0817 4.8816 4.8828 5.0049 5.0077 9.4335 9.4342 9.5503 9.5511 16.7264 16.7270 20.7285 20.7301 22.2278 22.2346 23.7463 23.7505 k = 0.0000 0.0000 0.2427 ( 595 PWs) bands (ev): -11.8348 -11.8348 -1.2389 -1.2378 -1.0878 -1.0870 4.8101 4.8114 4.9351 4.9380 9.3805 9.3812 9.5110 9.5118 16.8772 16.8777 20.8147 20.8162 22.1932 22.2001 23.6870 23.6912 k = 0.0000 0.0000 0.2538 ( 591 PWs) bands (ev): -11.7918 -11.7917 -1.2329 -1.2316 -1.0938 -1.0930 4.7382 4.7395 4.8637 4.8668 9.3265 9.3273 9.4717 9.4726 17.0318 17.0324 20.9008 20.9023 22.1563 22.1631 23.6195 23.6237 k = 0.0000 0.0000 0.2648 ( 591 PWs) bands (ev): -11.7470 -11.7469 -1.2269 -1.2256 -1.1005 -1.0997 4.6660 4.6673 4.7908 4.7940 9.2714 9.2723 9.4326 9.4335 17.1899 17.1905 20.9859 20.9872 22.1168 22.1237 23.5463 23.5506 k = 0.0000 0.0000 0.2758 ( 591 PWs) bands (ev): -11.7004 -11.7003 -1.2210 -1.2196 -1.1080 -1.1072 4.5938 4.5952 4.7166 4.7199 9.2154 9.2163 9.3938 9.3948 17.3513 17.3520 21.0691 21.0703 22.0749 22.0818 23.4693 23.4738 k = 0.0000 0.0000 0.2869 ( 591 PWs) bands (ev): -11.6520 -11.6520 -1.2152 -1.2138 -1.1163 -1.1154 4.5217 4.5231 4.6413 4.6447 9.1586 9.1596 9.3556 9.3566 17.5158 17.5166 21.1496 21.1506 22.0305 22.0374 23.3901 23.3948 k = 0.0000 0.0000 0.2979 ( 593 PWs) bands (ev): -11.6019 -11.6019 -1.2097 -1.2083 -1.1254 -1.1245 4.4499 4.4513 4.5649 4.5684 9.1011 9.1021 9.3181 9.3191 17.6831 17.6839 21.2260 21.2268 21.9836 21.9905 23.3101 23.3151 k = 0.0000 0.0000 0.3089 ( 593 PWs) bands (ev): -11.5501 -11.5501 -1.2045 -1.2029 -1.1354 -1.1344 4.3786 4.3800 4.4878 4.4914 9.0431 9.0442 9.2815 9.2826 17.8530 17.8539 21.2969 21.2973 21.9343 21.9412 23.2310 23.2364 k = 0.0000 0.0000 0.3200 ( 597 PWs) bands (ev): -11.4966 -11.4966 -1.1996 -1.1980 -1.1463 -1.1453 4.3077 4.3091 4.4099 4.4136 8.9846 8.9857 9.2459 9.2470 18.0253 18.0263 21.3603 21.3604 21.8824 21.8892 23.1544 23.1602 k = 0.0000 0.0000 0.3310 ( 601 PWs) bands (ev): -11.4414 -11.4414 -1.1950 -1.1933 -1.1581 -1.1571 4.2375 4.2390 4.3314 4.3352 8.9257 8.9269 9.2116 9.2127 18.1998 18.2008 21.4138 21.4142 21.8280 21.8348 23.0827 23.0891 k = 0.0000 0.0000 0.3420 ( 601 PWs) bands (ev): -11.3846 -11.3845 -1.1909 -1.1891 -1.1709 -1.1699 4.1683 4.1698 4.2526 4.2565 8.8666 8.8678 9.1787 9.1799 18.3762 18.3773 21.4551 21.4560 21.7714 21.7782 23.0185 23.0255 k = 0.0000 0.0000 0.3531 ( 601 PWs) bands (ev): -11.3261 -11.3261 -1.1872 -1.1854 -1.1846 -1.1835 4.0999 4.1014 4.1735 4.1775 8.8073 8.8085 9.1474 9.1486 18.5543 18.5555 21.4815 21.4830 21.7125 21.7192 22.9642 22.9719 k = 0.0000 0.0000 0.3641 ( 601 PWs) bands (ev): -11.2660 -11.2660 -1.1994 -1.1983 -1.1840 -1.1821 4.0326 4.0341 4.0942 4.0984 8.7478 8.7491 9.1178 9.1190 18.7339 18.7352 21.4906 21.4926 21.6513 21.6580 22.9223 22.9307 k = 0.0000 0.0000 0.3751 ( 605 PWs) bands (ev): -11.2044 -11.2043 -1.2151 -1.2141 -1.1815 -1.1796 3.9662 3.9677 4.0149 4.0192 8.6882 8.6896 9.0900 9.0912 18.9148 18.9161 21.4803 21.4828 21.5877 21.5944 22.8944 22.9033 k = 0.0000 0.0000 0.3862 ( 605 PWs) bands (ev): -11.1411 -11.1411 -1.2319 -1.2309 -1.1796 -1.1776 3.9011 3.9026 3.9357 3.9401 8.6287 8.6301 9.0642 9.0654 19.0967 19.0981 21.4504 21.4533 21.5222 21.5288 22.8814 22.8909 k = 0.0000 0.0000 0.3972 ( 605 PWs) bands (ev): -11.0764 -11.0763 -1.2497 -1.2487 -1.1785 -1.1763 3.8370 3.8385 3.8568 3.8613 8.5692 8.5707 9.0405 9.0418 19.2793 19.2809 21.4016 21.4048 21.4546 21.4612 22.8823 22.8921 k = 0.0000 0.0000 0.4082 ( 605 PWs) bands (ev): -11.0102 -11.0101 -1.2686 -1.2675 -1.1781 -1.1759 3.7742 3.7756 3.7782 3.7829 8.5098 8.5113 9.0190 9.0203 19.4622 19.4640 21.3360 21.3393 21.3852 21.3918 22.8949 22.9050 k = 0.0000 0.0000 0.4193 ( 609 PWs) bands (ev): -10.9425 -10.9424 -1.2884 -1.2873 -1.1785 -1.1762 3.6999 3.7045 3.7127 3.7143 8.4505 8.4520 8.9998 9.0011 19.6450 19.6469 21.2560 21.2595 21.3140 21.3208 22.9165 22.9267 k = 0.0000 0.0000 0.4303 ( 609 PWs) bands (ev): -10.8734 -10.8733 -1.3092 -1.3081 -1.1798 -1.1775 3.6223 3.6271 3.6524 3.6540 8.3913 8.3930 8.9831 8.9845 19.8270 19.8292 21.1645 21.1681 21.2421 21.2491 22.9444 22.9547 k = 0.0000 0.0000 0.4413 ( 609 PWs) bands (ev): -10.8028 -10.8028 -1.3310 -1.3299 -1.1821 -1.1797 3.5455 3.5503 3.5934 3.5949 8.3324 8.3341 8.9690 8.9704 20.0071 20.0095 21.0640 21.0675 21.1703 21.1775 22.9761 22.9864 k = 0.0000 0.0000 0.4524 ( 609 PWs) bands (ev): -10.7310 -10.7309 -1.3538 -1.3526 -1.1855 -1.1830 3.4694 3.4744 3.5357 3.5372 8.2738 8.2755 8.9575 8.9589 20.1829 20.1858 20.9564 20.9599 21.1007 21.1082 23.0094 23.0196 k = 0.0000 0.0000 0.4634 ( 611 PWs) bands (ev): -10.6578 -10.6577 -1.3774 -1.3763 -1.1901 -1.1875 3.3941 3.3992 3.4792 3.4807 8.2154 8.2172 8.9487 8.9501 20.3496 20.3530 20.8437 20.8472 21.0382 21.0461 23.0423 23.0525 k = 0.0000 0.0000 0.4744 ( 615 PWs) bands (ev): -10.5834 -10.5833 -1.4019 -1.4008 -1.1956 -1.1930 3.3199 3.3251 3.4241 3.4256 8.1572 8.1590 8.9427 8.9441 20.4929 20.4967 20.7272 20.7305 20.9966 21.0048 23.0736 23.0838 k = 0.0000 0.0000 0.4854 ( 615 PWs) bands (ev): -10.5077 -10.5076 -1.4273 -1.4262 -1.2024 -1.1997 3.2468 3.2521 3.3703 3.3718 8.0993 8.1012 8.9395 8.9410 20.5805 20.5839 20.6086 20.6115 21.0096 21.0167 23.1023 23.1125 k = 0.0000 0.0000 0.4965 ( 615 PWs) bands (ev): -10.4309 -10.4308 -1.4534 -1.4523 -1.2105 -1.2078 3.1749 3.1803 3.3177 3.3192 8.0418 8.0437 8.9392 8.9407 20.4874 20.4909 20.5870 20.5874 21.1038 21.1084 23.1273 23.1375 k = 0.0000 0.0000 0.5075 ( 611 PWs) bands (ev): -10.3529 -10.3528 -1.4803 -1.4792 -1.2199 -1.2171 3.1044 3.1098 3.2665 3.2679 7.9846 7.9866 8.9420 8.9435 20.3663 20.3696 20.5366 20.5381 21.2501 21.2528 23.1482 23.1584 k = 0.0000 0.0000 0.5185 ( 611 PWs) bands (ev): -10.2739 -10.2738 -1.5078 -1.5067 -1.2307 -1.2278 3.0351 3.0406 3.2165 3.2179 7.9278 7.9298 8.9476 8.9491 20.2449 20.2483 20.4624 20.4648 21.4170 21.4185 23.1640 23.1741 k = 0.0000 0.0000 0.5296 ( 615 PWs) bands (ev): -10.1938 -10.1937 -1.5359 -1.5349 -1.2430 -1.2400 2.9673 2.9729 3.1677 3.1691 7.8711 7.8731 8.9562 8.9577 20.1242 20.1275 20.3774 20.3804 21.5917 21.5926 23.1745 23.1846 k = 0.0000 0.0000 0.5406 ( 611 PWs) bands (ev): -10.1128 -10.1127 -1.5646 -1.5635 -1.2567 -1.2537 2.9011 2.9068 3.1201 3.1215 7.8150 7.8171 8.9678 8.9694 20.0046 20.0079 20.2865 20.2898 21.7699 21.7704 23.1796 23.1896 k = 0.0000 0.0000 0.5516 ( 611 PWs) bands (ev): -10.0309 -10.0308 -1.5938 -1.5927 -1.2719 -1.2689 2.8365 2.8422 3.0737 3.0751 7.7591 7.7613 8.9824 8.9840 19.8865 19.8898 20.1915 20.1950 21.9493 21.9494 23.1787 23.1887 k = 0.0000 0.0000 0.5627 ( 605 PWs) bands (ev): -9.9481 -9.9480 -1.6233 -1.6223 -1.2887 -1.2856 2.7736 2.7794 3.0286 3.0299 7.7037 7.7059 9.0000 9.0016 19.7705 19.7738 20.0936 20.0971 22.1288 22.1289 23.1719 23.1819 k = 0.0000 0.0000 0.5737 ( 597 PWs) bands (ev): -9.8645 -9.8644 -1.6532 -1.6522 -1.3071 -1.3040 2.7125 2.7183 2.9846 2.9858 7.6487 7.6509 9.0207 9.0223 19.6569 19.6602 19.9933 19.9969 22.3082 22.3084 23.1593 23.1692 k = 0.0000 0.0000 0.5847 ( 597 PWs) bands (ev): -9.7803 -9.7802 -1.6834 -1.6824 -1.3272 -1.3240 2.6532 2.6590 2.9416 2.9429 7.5939 7.5962 9.0441 9.0457 19.5459 19.5492 19.8907 19.8943 22.4860 22.4865 23.1406 23.1505 k = 0.0000 0.0000 0.5958 ( 597 PWs) bands (ev): -9.6955 -9.6953 -1.7137 -1.7127 -1.3489 -1.3457 2.5957 2.6015 2.8998 2.9010 7.5395 7.5418 9.0703 9.0719 19.4380 19.4413 19.7863 19.7899 22.6626 22.6632 23.1161 23.1259 k = 0.0000 0.0000 0.6068 ( 597 PWs) bands (ev): -9.6101 -9.6099 -1.7442 -1.7432 -1.3723 -1.3691 2.5401 2.5459 2.8590 2.8602 7.4855 7.4878 9.0993 9.1009 19.3333 19.3366 19.6803 19.6839 22.8376 22.8383 23.0860 23.0956 k = 0.0000 0.0000 0.6178 ( 597 PWs) bands (ev): -9.5242 -9.5241 -1.7747 -1.7738 -1.3974 -1.3941 2.4864 2.4923 2.8194 2.8205 7.4319 7.4342 9.1310 9.1327 19.2322 19.2355 19.5729 19.5765 23.0107 23.0113 23.0506 23.0599 k = 0.0000 0.0000 0.6289 ( 597 PWs) bands (ev): -9.4380 -9.4378 -1.8052 -1.8043 -1.4241 -1.4208 2.4348 2.4407 2.7808 2.7819 7.3787 7.3811 9.1654 9.1670 19.1348 19.1382 19.4644 19.4680 23.0093 23.0187 23.1820 23.1829 k = 0.0000 0.0000 0.6399 ( 597 PWs) bands (ev): -9.3515 -9.3513 -1.8356 -1.8347 -1.4524 -1.4491 2.3852 2.3910 2.7433 2.7443 7.3260 7.3284 9.2023 9.2040 19.0413 19.0447 19.3549 19.3584 22.9634 22.9727 23.3509 23.3518 k = 0.0000 0.0000 0.6509 ( 597 PWs) bands (ev): -9.2648 -9.2646 -1.8658 -1.8649 -1.4823 -1.4790 2.3376 2.3434 2.7068 2.7078 7.2738 7.2762 9.2417 9.2433 18.9520 18.9554 19.2446 19.2481 22.9129 22.9221 23.5172 23.5183 k = 0.0000 0.0000 0.6620 ( 597 PWs) bands (ev): -9.1781 -9.1779 -1.8958 -1.8949 -1.5138 -1.5106 2.2920 2.2978 2.6715 2.6725 7.2220 7.2244 9.2834 9.2850 18.8668 18.8702 19.1337 19.1371 22.8580 22.8671 23.6812 23.6823 k = 0.0000 0.0000 0.6730 ( 595 PWs) bands (ev): -9.0913 -9.0912 -1.9254 -1.9246 -1.5468 -1.5435 2.2486 2.2543 2.6371 2.6381 7.1710 7.1734 9.3273 9.3290 18.7861 18.7895 19.0223 19.0257 22.7993 22.8081 23.8420 23.8432 k = 0.0000 0.0000 0.6840 ( 595 PWs) bands (ev): -9.0048 -9.0046 -1.9547 -1.9539 -1.5812 -1.5780 2.2072 2.2128 2.6038 2.6047 7.1204 7.1228 9.3733 9.3749 18.7097 18.7132 18.9107 18.9140 22.7368 22.7455 23.9997 24.0009 k = 0.0000 0.0000 0.6951 ( 595 PWs) bands (ev): -8.9185 -8.9183 -1.9836 -1.9828 -1.6170 -1.6138 2.1678 2.1734 2.5715 2.5724 7.0705 7.0729 9.4212 9.4228 18.6379 18.6414 18.7991 18.8023 22.6712 22.6797 24.1541 24.1554 k = 0.0000 0.0000 0.7061 ( 595 PWs) bands (ev): -8.8327 -8.8325 -2.0119 -2.0111 -1.6541 -1.6509 2.1304 2.1359 2.5402 2.5411 7.0214 7.0237 9.4708 9.4724 18.5706 18.5741 18.6876 18.6907 22.6027 22.6111 24.3051 24.3065 k = 0.0000 0.0000 0.7171 ( 599 PWs) bands (ev): -8.7474 -8.7472 -2.0397 -2.0389 -1.6923 -1.6892 2.0950 2.1005 2.5100 2.5109 6.9729 6.9752 9.5220 9.5236 18.5079 18.5113 18.5764 18.5795 22.5318 22.5399 24.4522 24.4536 k = 0.0000 0.0000 0.7282 ( 599 PWs) bands (ev): -8.6628 -8.6626 -2.0668 -2.0661 -1.7316 -1.7285 2.0617 2.0670 2.4809 2.4817 6.9253 6.9277 9.5746 9.5762 18.4496 18.4530 18.4661 18.4690 22.4589 22.4668 24.5957 24.5971 k = 0.0000 0.0000 0.7392 ( 603 PWs) bands (ev): -8.5791 -8.5790 -2.0932 -2.0926 -1.7718 -1.7688 2.0302 2.0354 2.4528 2.4536 6.8786 6.8809 9.6284 9.6299 18.3562 18.3591 18.3962 18.3996 22.3842 22.3919 24.7351 24.7366 k = 0.0000 0.0000 0.7502 ( 611 PWs) bands (ev): -8.4965 -8.4963 -2.1190 -2.1183 -1.8128 -1.8099 2.0005 2.0056 2.4258 2.4265 6.8328 6.8350 9.6831 9.6846 18.2476 18.2504 18.3470 18.3504 22.3079 22.3154 24.8703 24.8718 k = 0.0000 0.0000 0.7613 ( 611 PWs) bands (ev): -8.4151 -8.4149 -2.1439 -2.1433 -1.8544 -1.8515 1.9728 1.9777 2.3999 2.4005 6.7882 6.7904 9.7386 9.7402 18.1404 18.1432 18.3023 18.3056 22.2313 22.2386 25.0012 25.0027 k = 0.0000 0.0000 0.7723 ( 607 PWs) bands (ev): -8.3350 -8.3348 -2.1680 -2.1674 -1.8963 -1.8936 1.9469 1.9517 2.3750 2.3757 6.7448 6.7470 9.7947 9.7962 18.0349 18.0376 18.2619 18.2652 22.1544 22.1615 25.1275 25.1292 k = 0.0000 0.0000 0.7833 ( 607 PWs) bands (ev): -8.2566 -8.2564 -2.1911 -2.1906 -1.9385 -1.9359 1.9227 1.9273 2.3514 2.3520 6.7027 6.7048 9.8511 9.8525 17.9313 17.9339 18.2257 18.2290 22.0774 22.0843 25.2492 25.2508 k = 0.0000 0.0000 0.7944 ( 611 PWs) bands (ev): -8.1800 -8.1798 -2.2134 -2.2129 -1.9807 -1.9782 1.9003 1.9047 2.3287 2.3293 6.6619 6.6639 9.9074 9.9088 17.8299 17.8324 18.1935 18.1967 22.0008 22.0074 25.3659 25.3675 k = 0.0000 0.0000 0.8054 ( 611 PWs) bands (ev): -8.1054 -8.1052 -2.2347 -2.2342 -2.0228 -2.0203 1.8794 1.8837 2.3073 2.3078 6.6226 6.6245 9.9634 9.9648 17.7311 17.7335 18.1652 18.1684 21.9251 21.9314 25.4776 25.4793 k = 0.0000 0.0000 0.8164 ( 611 PWs) bands (ev): -8.0331 -8.0329 -2.2550 -2.2545 -2.0644 -2.0621 1.8602 1.8642 2.2870 2.2875 6.5848 6.5867 10.0189 10.0202 17.6351 17.6374 18.1406 18.1437 21.8506 21.8567 25.5843 25.5860 k = 0.0000 0.0000 0.8275 ( 613 PWs) bands (ev): -7.9632 -7.9630 -2.2742 -2.2738 -2.1054 -2.1032 1.8424 1.8462 2.2678 2.2683 6.5487 6.5505 10.0734 10.0747 17.5423 17.5444 18.1195 18.1225 21.7777 21.7835 25.6856 25.6872 k = 0.0000 0.0000 0.8385 ( 613 PWs) bands (ev): -7.8962 -7.8960 -2.2923 -2.2919 -2.1455 -2.1434 1.8261 1.8297 2.2498 2.2503 6.5144 6.5161 10.1268 10.1280 17.4531 17.4551 18.1016 18.1045 21.7070 21.7125 25.7815 25.7831 k = 0.0000 0.0000 0.8495 ( 613 PWs) bands (ev): -7.8321 -7.8319 -2.3094 -2.3090 -2.1845 -2.1825 1.8113 1.8146 2.2330 2.2334 6.4819 6.4836 10.1786 10.1798 17.3678 17.3697 18.0868 18.0896 21.6387 21.6439 25.8718 25.8735 k = 0.0000 0.0000 0.8606 ( 613 PWs) bands (ev): -7.7713 -7.7711 -2.3252 -2.3249 -2.2220 -2.2202 1.7978 1.8009 2.2174 2.2178 6.4514 6.4530 10.2285 10.2296 17.2868 17.2886 18.0747 18.0774 21.5733 21.5782 25.9564 25.9581 k = 0.0000 0.0000 0.8716 ( 607 PWs) bands (ev): -7.7140 -7.7139 -2.3399 -2.3396 -2.2579 -2.2562 1.7856 1.7885 2.2031 2.2034 6.4230 6.4245 10.2764 10.2775 17.2105 17.2122 18.0652 18.0677 21.5113 21.5159 26.0358 26.0374 k = 0.0000 0.0000 0.8826 ( 607 PWs) bands (ev): -7.6606 -7.6604 -2.3535 -2.3532 -2.2918 -2.2902 1.7747 1.7773 2.1899 2.1902 6.3967 6.3980 10.3215 10.3225 17.1392 17.1407 18.0578 18.0601 21.4530 21.4571 26.1086 26.1101 k = 0.0000 0.0000 0.8937 ( 607 PWs) bands (ev): -7.6112 -7.6111 -2.3658 -2.3655 -2.3235 -2.3221 1.7649 1.7674 2.1779 2.1782 6.3726 6.3738 10.3636 10.3645 17.0733 17.0747 18.0523 18.0545 21.3987 21.4025 26.1752 26.1767 k = 0.0000 0.0000 0.9047 ( 607 PWs) bands (ev): -7.5662 -7.5660 -2.3768 -2.3766 -2.3527 -2.3514 1.7564 1.7585 2.1672 2.1675 6.3508 6.3519 10.4025 10.4033 17.0131 17.0144 18.0484 18.0504 21.3490 21.3524 26.2355 26.2369 k = 0.0000 0.0000 0.9157 ( 607 PWs) bands (ev): -7.5257 -7.5256 -2.3867 -2.3865 -2.3790 -2.3779 1.7489 1.7508 2.1577 2.1579 6.3314 6.3324 10.4377 10.4384 16.9591 16.9602 18.0458 18.0476 21.3041 21.3071 26.2894 26.2906 k = 0.0000 0.0000 0.9268 ( 607 PWs) bands (ev): -7.4901 -7.4900 -2.4028 -2.4019 -2.3949 -2.3947 1.7426 1.7442 2.1495 2.1497 6.3145 6.3153 10.4689 10.4696 16.9115 16.9125 18.0442 18.0458 21.2644 21.2670 26.3366 26.3377 k = 0.0000 0.0000 0.9378 ( 607 PWs) bands (ev): -7.4596 -7.4595 -2.4230 -2.4222 -2.4022 -2.4021 1.7373 1.7387 2.1425 2.1427 6.3001 6.3008 10.4960 10.4965 16.8707 16.8715 18.0435 18.0448 21.2303 21.2325 26.3770 26.3779 k = 0.0000 0.0000 0.9488 ( 607 PWs) bands (ev): -7.4343 -7.4342 -2.4398 -2.4392 -2.4082 -2.4081 1.7330 1.7341 2.1368 2.1369 6.2882 6.2888 10.5185 10.5189 16.8369 16.8376 18.0432 18.0443 21.2020 21.2037 26.4104 26.4112 k = 0.0000 0.0000 0.9599 ( 610 PWs) bands (ev): -7.4145 -7.4144 -2.4531 -2.4526 -2.4128 -2.4127 1.7297 1.7306 2.1323 2.1324 6.2789 6.2794 10.5361 10.5364 16.8104 16.8109 18.0433 18.0441 21.1797 21.1811 26.4362 26.4368 k = 0.0000 0.0000 0.9709 ( 610 PWs) bands (ev): -7.4002 -7.4001 -2.4627 -2.4624 -2.4161 -2.4160 1.7275 1.7280 2.1292 2.1292 6.2723 6.2726 10.5489 10.5491 16.7913 16.7917 18.0435 18.0441 21.1638 21.1647 26.4551 26.4555 k = 0.0000 0.0000 0.9819 ( 610 PWs) bands (ev): -7.3915 -7.3915 -2.4684 -2.4683 -2.4181 -2.4181 1.7261 1.7264 2.1273 2.1273 6.2684 6.2685 10.5567 10.5568 16.7799 16.7800 18.0438 18.0440 21.1542 21.1547 26.4665 26.4667 k = 0.0000 0.0000 0.9930 ( 610 PWs) bands (ev): -7.3887 -7.3887 -2.4703 -2.4703 -2.4187 -2.4187 1.7258 1.7258 2.1266 2.1266 6.2671 6.2671 10.5593 10.5593 16.7761 16.7761 18.0439 18.0439 21.1512 21.1512 26.4704 26.4704 k = 0.0000 0.0000 0.9930 ( 610 PWs) bands (ev): -7.3887 -7.3887 -2.4703 -2.4703 -2.4187 -2.4187 1.7258 1.7258 2.1266 2.1266 6.2671 6.2671 10.5593 10.5593 16.7761 16.7761 18.0439 18.0439 21.1512 21.1512 26.4704 26.4704 k =-0.0053 0.0091 0.9930 ( 610 PWs) bands (ev): -7.3891 -7.3891 -2.5443 -2.5422 -2.3479 -2.3458 1.7186 1.7189 2.1345 2.1349 6.2699 6.2700 10.5599 10.5600 16.7768 16.7768 18.0463 18.0463 21.1513 21.1514 26.4678 26.4679 k =-0.0106 0.0182 0.9930 ( 610 PWs) bands (ev): -7.3905 -7.3904 -2.6390 -2.6369 -2.2565 -2.2543 1.6987 1.6992 2.1570 2.1577 6.2785 6.2787 10.5616 10.5618 16.7790 16.7791 18.0534 18.0534 21.1518 21.1520 26.4603 26.4603 k =-0.0159 0.0273 0.9930 ( 610 PWs) bands (ev): -7.3927 -7.3927 -2.7358 -2.7337 -2.1651 -2.1628 1.6696 1.6703 2.1908 2.1918 6.2929 6.2931 10.5645 10.5649 16.7828 16.7829 18.0651 18.0651 21.1528 21.1531 26.4477 26.4478 k =-0.0212 0.0364 0.9930 ( 610 PWs) bands (ev): -7.3959 -7.3958 -2.8339 -2.8318 -2.0745 -2.0721 1.6347 1.6354 2.2325 2.2336 6.3129 6.3132 10.5686 10.5691 16.7880 16.7881 18.0816 18.0816 21.1540 21.1544 26.4301 26.4302 k =-0.0265 0.0455 0.9930 ( 610 PWs) bands (ev): -7.3999 -7.3998 -2.9330 -2.9310 -1.9848 -1.9825 1.5963 1.5971 2.2796 2.2809 6.3385 6.3389 10.5739 10.5746 16.7947 16.7948 18.1026 18.1026 21.1557 21.1562 26.4075 26.4076 k =-0.0318 0.0546 0.9930 ( 616 PWs) bands (ev): -7.4049 -7.4048 -3.0331 -3.0312 -1.8962 -1.8938 1.5561 1.5568 2.3304 2.3319 6.3696 6.3701 10.5803 10.5811 16.8028 16.8030 18.1282 18.1282 21.1575 21.1581 26.3796 26.3797 k =-0.0372 0.0637 0.9930 ( 616 PWs) bands (ev): -7.4108 -7.4106 -3.1341 -3.1322 -1.8087 -1.8062 1.5152 1.5160 2.3841 2.3857 6.4062 6.4068 10.5881 10.5890 16.8125 16.8127 18.1583 18.1583 21.1598 21.1605 26.3468 26.3470 k =-0.0425 0.0729 0.9930 ( 612 PWs) bands (ev): -7.4175 -7.4174 -3.2359 -3.2340 -1.7221 -1.7197 1.4744 1.4751 2.4398 2.4415 6.4483 6.4490 10.5972 10.5982 16.8236 16.8238 18.1928 18.1928 21.1624 21.1632 26.3092 26.3094 k =-0.0478 0.0820 0.9930 ( 612 PWs) bands (ev): -7.4253 -7.4251 -3.3384 -3.3366 -1.6366 -1.6341 1.4340 1.4347 2.4971 2.4988 6.4956 6.4964 10.6074 10.6086 16.8361 16.8364 18.2316 18.2316 21.1653 21.1662 26.2662 26.2664 k =-0.0531 0.0911 0.9930 ( 616 PWs) bands (ev): -7.4339 -7.4337 -3.4416 -3.4398 -1.5521 -1.5495 1.3944 1.3951 2.5555 2.5573 6.5481 6.5489 10.6187 10.6200 16.8501 16.8505 18.2745 18.2745 21.1682 21.1692 26.2177 26.2180 k =-0.0584 0.1002 0.9930 ( 616 PWs) bands (ev): -7.4434 -7.4433 -3.5454 -3.5437 -1.4684 -1.4659 1.3560 1.3567 2.6150 2.6169 6.6055 6.6064 10.6314 10.6328 16.8655 16.8659 18.3215 18.3215 21.1714 21.1725 26.1643 26.1646 k =-0.0637 0.1093 0.9930 ( 616 PWs) bands (ev): -7.4539 -7.4537 -3.6498 -3.6481 -1.3857 -1.3831 1.3190 1.3196 2.6753 2.6772 6.6679 6.6688 10.6453 10.6469 16.8824 16.8828 18.3724 18.3725 21.1748 21.1760 26.1056 26.1060 k =-0.0690 0.1184 0.9930 ( 616 PWs) bands (ev): -7.4654 -7.4652 -3.7546 -3.7529 -1.3038 -1.3012 1.2834 1.2840 2.7362 2.7382 6.7350 6.7360 10.6605 10.6622 16.9006 16.9010 18.4272 18.4272 21.1782 21.1795 26.0415 26.0420 k =-0.0743 0.1275 0.9930 ( 616 PWs) bands (ev): -7.4778 -7.4775 -3.8598 -3.8582 -1.2227 -1.2201 1.2495 1.2500 2.7976 2.7997 6.8066 6.8077 10.6771 10.6788 16.9202 16.9207 18.4855 18.4855 21.1817 21.1831 25.9721 25.9726 k =-0.0796 0.1366 0.9930 ( 616 PWs) bands (ev): -7.4911 -7.4909 -3.9653 -3.9638 -1.1423 -1.1397 1.2173 1.2178 2.8595 2.8616 6.8827 6.8838 10.6949 10.6968 16.9411 16.9417 18.5472 18.5473 21.1851 21.1867 25.8972 25.8978 k =-0.0849 0.1457 0.9930 ( 620 PWs) bands (ev): -7.5054 -7.5052 -4.0711 -4.0696 -1.0625 -1.0599 1.1870 1.1875 2.9216 2.9238 6.9629 6.9640 10.7139 10.7159 16.9634 16.9640 18.6122 18.6123 21.1885 21.1901 25.8165 25.8171 k =-0.0849 0.1457 0.9930 ( 620 PWs) bands (ev): -7.5054 -7.5052 -4.0711 -4.0696 -1.0625 -1.0599 1.1870 1.1875 2.9216 2.9238 6.9629 6.9640 10.7139 10.7159 16.9634 16.9640 18.6122 18.6123 21.1885 21.1901 25.8165 25.8171 k =-0.0888 0.1524 0.9852 ( 618 PWs) bands (ev): -7.5178 -7.5175 -4.1486 -4.1471 -1.0047 -1.0021 1.1676 1.1681 2.9676 2.9698 7.0251 7.0263 10.7279 10.7300 16.9824 16.9830 18.6620 18.6623 21.1925 21.1942 25.7510 25.7517 k =-0.0928 0.1591 0.9774 ( 616 PWs) bands (ev): -7.5329 -7.5326 -4.2246 -4.2232 -0.9488 -0.9462 1.1532 1.1537 3.0135 3.0157 7.0901 7.0913 10.7407 10.7428 17.0053 17.0060 18.7134 18.7139 21.1993 21.2012 25.6772 25.6780 k =-0.0967 0.1659 0.9696 ( 616 PWs) bands (ev): -7.5507 -7.5504 -4.2993 -4.2979 -0.8957 -0.8931 1.1446 1.1452 3.0591 3.0614 7.1574 7.1586 10.7525 10.7547 17.0321 17.0329 18.7661 18.7669 21.2087 21.2108 25.5946 25.5956 k =-0.1006 0.1726 0.9619 ( 614 PWs) bands (ev): -7.5710 -7.5706 -4.3727 -4.3713 -0.8461 -0.8435 1.1426 1.1434 3.1043 3.1067 7.2269 7.2282 10.7635 10.7658 17.0627 17.0635 18.8203 18.8213 21.2208 21.2232 25.5034 25.5045 k =-0.1045 0.1793 0.9541 ( 613 PWs) bands (ev): -7.5936 -7.5933 -4.4446 -4.4433 -0.8010 -0.7984 1.1481 1.1490 3.1491 3.1515 7.2983 7.2996 10.7739 10.7763 17.0968 17.0976 18.8757 18.8770 21.2353 21.2379 25.4033 25.4045 k =-0.1084 0.1860 0.9463 ( 613 PWs) bands (ev): -7.6184 -7.6181 -4.5152 -4.5139 -0.7610 -0.7584 1.1619 1.1630 3.1935 3.1959 7.3712 7.3726 10.7841 10.7865 17.1343 17.1352 18.9322 18.9337 21.2521 21.2550 25.2943 25.2957 k =-0.1123 0.1927 0.9385 ( 613 PWs) bands (ev): -7.6452 -7.6448 -4.5844 -4.5832 -0.7268 -0.7243 1.1847 1.1860 3.2373 3.2398 7.4454 7.4469 10.7943 10.7968 17.1751 17.1761 18.9897 18.9915 21.2710 21.2743 25.1766 25.1781 k =-0.1162 0.1995 0.9308 ( 613 PWs) bands (ev): -7.6738 -7.6735 -4.6523 -4.6511 -0.6991 -0.6966 1.2170 1.2184 3.2804 3.2830 7.5206 7.5221 10.8048 10.8073 17.2189 17.2200 19.0482 19.0503 21.2918 21.2954 25.0505 25.0521 k =-0.1202 0.2062 0.9230 ( 613 PWs) bands (ev): -7.7041 -7.7038 -4.7188 -4.7176 -0.6781 -0.6755 1.2591 1.2606 3.3229 3.3255 7.5963 7.5979 10.8158 10.8184 17.2656 17.2668 19.1074 19.1098 21.3144 21.3183 24.9163 24.9180 k =-0.1241 0.2129 0.9152 ( 613 PWs) bands (ev): -7.7359 -7.7355 -4.7840 -4.7828 -0.6638 -0.6613 1.3110 1.3126 3.3647 3.3673 7.6723 7.6738 10.8279 10.8305 17.3151 17.3163 19.1673 19.1699 21.3385 21.3427 24.7744 24.7763 k =-0.1280 0.2196 0.9074 ( 608 PWs) bands (ev): -7.7689 -7.7686 -4.8478 -4.8467 -0.6562 -0.6537 1.3726 1.3743 3.4058 3.4084 7.7481 7.7497 10.8414 10.8439 17.3671 17.3684 19.2277 19.2306 21.3641 21.3686 24.6255 24.6274 k =-0.1319 0.2263 0.8996 ( 610 PWs) bands (ev): -7.8032 -7.8028 -4.9103 -4.9092 -0.6548 -0.6524 1.4432 1.4451 3.4459 3.4486 7.8232 7.8248 10.8564 10.8590 17.4215 17.4228 19.2884 19.2916 21.3904 21.3952 24.4698 24.4719 k =-0.1358 0.2330 0.8919 ( 610 PWs) bands (ev): -7.8383 -7.8380 -4.9715 -4.9704 -0.6593 -0.6569 1.5225 1.5245 3.4852 3.4880 7.8974 7.8990 10.8735 10.8761 17.4780 17.4795 19.3492 19.3526 21.4175 21.4226 24.3083 24.3104 k =-0.1397 0.2398 0.8841 ( 614 PWs) bands (ev): -7.8744 -7.8740 -5.0313 -5.0303 -0.6689 -0.6666 1.6097 1.6118 3.5236 3.5264 7.9702 7.9718 10.8929 10.8955 17.5366 17.5381 19.4099 19.4136 21.4450 21.4504 24.1414 24.1436 k =-0.1437 0.2465 0.8763 ( 614 PWs) bands (ev): -7.9110 -7.9107 -5.0898 -5.0888 -0.6831 -0.6809 1.7041 1.7063 3.5611 3.5640 8.0412 8.0428 10.9153 10.9178 17.5971 17.5987 19.4704 19.4744 21.4726 21.4783 23.9700 23.9723 k =-0.1476 0.2532 0.8685 ( 616 PWs) bands (ev): -7.9482 -7.9479 -5.1469 -5.1460 -0.7012 -0.6990 1.8049 1.8071 3.5978 3.6007 8.1099 8.1116 10.9407 10.9432 17.6592 17.6609 19.5303 19.5345 21.5000 21.5060 23.7950 23.7973 k =-0.1515 0.2599 0.8608 ( 616 PWs) bands (ev): -7.9857 -7.9854 -5.2028 -5.2018 -0.7226 -0.7205 1.9114 1.9137 3.6335 3.6365 8.1761 8.1777 10.9696 10.9721 17.7228 17.7246 19.5896 19.5940 21.5267 21.5328 23.6172 23.6196 k =-0.1554 0.2666 0.8530 ( 618 PWs) bands (ev): -8.0235 -8.0232 -5.2572 -5.2563 -0.7467 -0.7447 2.0229 2.0252 3.6683 3.6713 8.2393 8.2409 11.0022 11.0046 17.7877 17.7896 19.6478 19.6524 21.5520 21.5584 23.4375 23.4400 k =-0.1593 0.2734 0.8452 ( 618 PWs) bands (ev): -8.0614 -8.0611 -5.3104 -5.3095 -0.7731 -0.7712 2.1386 2.1411 3.7022 3.7054 8.2991 8.3008 11.0390 11.0412 17.8538 17.8557 19.7047 19.7095 21.5753 21.5818 23.2574 23.2600 k =-0.1632 0.2801 0.8374 ( 616 PWs) bands (ev): -8.0992 -8.0989 -5.3621 -5.3613 -0.8013 -0.7994 2.2580 2.2606 3.7353 3.7385 8.3555 8.3571 11.0799 11.0821 17.9208 17.9228 19.7600 19.7649 21.5954 21.6020 23.0785 23.0813 k =-0.1672 0.2868 0.8297 ( 616 PWs) bands (ev): -8.1369 -8.1366 -5.4125 -5.4117 -0.8309 -0.8290 2.3805 2.3832 3.7677 3.7709 8.4080 8.4096 11.1252 11.1273 17.9886 17.9907 19.8133 19.8184 21.6107 21.6173 22.9028 22.9059 k =-0.1711 0.2935 0.8219 ( 614 PWs) bands (ev): -8.1743 -8.1740 -5.4615 -5.4608 -0.8614 -0.8597 2.5055 2.5083 3.7993 3.8027 8.4565 8.4582 11.1750 11.1769 18.0570 18.0592 19.8643 19.8694 21.6188 21.6254 22.7334 22.7370 k =-0.1750 0.3002 0.8141 ( 612 PWs) bands (ev): -8.2114 -8.2111 -5.5092 -5.5084 -0.8927 -0.8910 2.6323 2.6352 3.8304 3.8338 8.5010 8.5027 11.2291 11.2309 18.1257 18.1280 19.9125 19.9176 21.6160 21.6224 22.5748 22.5790 k =-0.1789 0.3070 0.8063 ( 610 PWs) bands (ev): -8.2480 -8.2477 -5.5554 -5.5547 -0.9245 -0.9228 2.7604 2.7634 3.8610 3.8645 8.5414 8.5432 11.2875 11.2893 18.1944 18.1968 19.9573 19.9624 21.5965 21.6025 22.4334 22.4384 k =-0.1828 0.3137 0.7986 ( 612 PWs) bands (ev): -8.2841 -8.2838 -5.6002 -5.5996 -0.9565 -0.9548 2.8890 2.8922 3.8915 3.8951 8.5777 8.5795 11.3499 11.3516 18.2628 18.2654 19.9981 20.0030 21.5533 21.5588 22.3169 22.3229 k =-0.1867 0.3204 0.7908 ( 612 PWs) bands (ev): -8.3195 -8.3193 -5.6437 -5.6430 -0.9885 -0.9869 3.0174 3.0208 3.9221 3.9258 8.6101 8.6120 11.4163 11.4178 18.3308 18.3334 20.0342 20.0389 21.4816 21.4863 22.2320 22.2389 k =-0.1906 0.3271 0.7830 ( 612 PWs) bands (ev): -8.3543 -8.3540 -5.6856 -5.6850 -1.0203 -1.0187 3.1448 3.1484 3.9533 3.9572 8.6387 8.6406 11.4862 11.4876 18.3977 18.4006 20.0645 20.0689 21.3829 21.3867 22.1784 22.1860 k =-0.1946 0.3338 0.7752 ( 611 PWs) bands (ev): -8.3882 -8.3880 -5.7262 -5.7256 -1.0518 -1.0502 3.2699 3.2738 3.9861 3.9901 8.6638 8.6657 11.5593 11.5606 18.4633 18.4663 20.0875 20.0912 21.2659 21.2685 22.1499 22.1579 k =-0.1985 0.3405 0.7674 ( 612 PWs) bands (ev): -8.4213 -8.4211 -5.7652 -5.7647 -1.0828 -1.0813 3.3912 3.3954 4.0213 4.0256 8.6854 8.6874 11.6351 11.6363 18.5269 18.5301 20.1008 20.1037 21.1414 21.1428 22.1381 22.1463 k =-0.2024 0.3473 0.7597 ( 616 PWs) bands (ev): -8.4535 -8.4532 -5.8028 -5.8023 -1.1133 -1.1118 3.5066 3.5112 4.0610 4.0655 8.7038 8.7060 11.7131 11.7142 18.5878 18.5912 20.1012 20.1030 21.0194 21.0199 22.1368 22.1450 k =-0.2063 0.3540 0.7519 ( 616 PWs) bands (ev): -8.4846 -8.4844 -5.8390 -5.8384 -1.1430 -1.1415 3.6133 3.6182 4.1075 4.1122 8.7195 8.7217 11.7930 11.7940 18.6449 18.6486 20.0852 20.0862 20.9085 20.9103 22.1415 22.1499 k =-0.2102 0.3607 0.7441 ( 616 PWs) bands (ev): -8.5148 -8.5146 -5.8736 -5.8731 -1.1719 -1.1705 3.7079 3.7130 4.1641 4.1687 8.7326 8.7348 11.8743 11.8752 18.6972 18.7011 20.0482 20.0506 20.8168 20.8205 22.1498 22.1581 k =-0.2141 0.3674 0.7363 ( 616 PWs) bands (ev): -8.5438 -8.5436 -5.9067 -5.9062 -1.1999 -1.1986 3.7874 3.7925 4.2332 4.2376 8.7433 8.7457 11.9565 11.9574 18.7426 18.7469 19.9908 19.9950 20.7487 20.7542 22.1599 22.1682 k =-0.2181 0.3741 0.7286 ( 616 PWs) bands (ev): -8.5717 -8.5715 -5.9383 -5.9378 -1.2270 -1.2256 3.8510 3.8559 4.3155 4.3194 8.7521 8.7545 12.0389 12.0397 18.7788 18.7835 19.9178 19.9236 20.7035 20.7103 22.1708 22.1791 k =-0.2220 0.3809 0.7208 ( 616 PWs) bands (ev): -8.5984 -8.5982 -5.9683 -5.9679 -1.2530 -1.2517 3.9005 3.9050 4.4086 4.4119 8.7589 8.7614 12.1211 12.1217 18.8025 18.8075 19.8383 19.8454 20.6767 20.6843 22.1818 22.1900 k =-0.2259 0.3876 0.7130 ( 616 PWs) bands (ev): -8.6239 -8.6237 -5.9968 -5.9964 -1.2779 -1.2766 3.9390 3.9431 4.5087 4.5114 8.7643 8.7668 12.2025 12.2031 18.8097 18.8149 19.7628 19.7707 20.6625 20.6706 22.1925 22.2006 k =-0.2298 0.3943 0.7052 ( 614 PWs) bands (ev): -8.6481 -8.6479 -6.0237 -6.0234 -1.3016 -1.3004 3.9695 3.9734 4.6125 4.6147 8.7683 8.7709 12.2829 12.2835 18.7963 18.8016 19.7004 19.7087 20.6567 20.6650 22.2026 22.2106 k =-0.2337 0.4010 0.6975 ( 612 PWs) bands (ev): -8.6710 -8.6708 -6.0491 -6.0487 -1.3241 -1.3229 3.9944 3.9981 4.7170 4.7188 8.7711 8.7738 12.3614 12.3619 18.7604 18.7654 19.6571 19.6654 20.6559 20.6642 22.2120 22.2200 k =-0.2376 0.4077 0.6897 ( 614 PWs) bands (ev): -8.6925 -8.6924 -6.0728 -6.0725 -1.3454 -1.3441 4.0150 4.0186 4.8203 4.8218 8.7730 8.7757 12.4374 12.4379 18.7032 18.7075 19.6337 19.6418 20.6581 20.6664 22.2203 22.2283 k =-0.2416 0.4145 0.6819 ( 614 PWs) bands (ev): -8.7127 -8.7126 -6.0950 -6.0947 -1.3653 -1.3641 4.0325 4.0360 4.9211 4.9223 8.7741 8.7769 12.5109 12.5114 18.6292 18.6329 19.6280 19.6355 20.6622 20.6702 22.2278 22.2356 k =-0.2455 0.4212 0.6741 ( 614 PWs) bands (ev): -8.7315 -8.7314 -6.1156 -6.1153 -1.3840 -1.3827 4.0476 4.0509 5.0181 5.0191 8.7746 8.7774 12.5813 12.5817 18.5444 18.5475 19.6348 19.6419 20.6672 20.6750 22.2342 22.2421 k =-0.2494 0.4279 0.6663 ( 613 PWs) bands (ev): -8.7489 -8.7488 -6.1345 -6.1342 -1.4012 -1.4000 4.0605 4.0639 5.1106 5.1114 8.7746 8.7774 12.6480 12.6485 18.4543 18.4568 19.6499 19.6565 20.6728 20.6802 22.2398 22.2476 k =-0.2533 0.4346 0.6586 ( 611 PWs) bands (ev): -8.7649 -8.7648 -6.1518 -6.1516 -1.4170 -1.4158 4.0718 4.0751 5.1976 5.1983 8.7742 8.7771 12.7107 12.7111 18.3633 18.3653 19.6696 19.6758 20.6786 20.6856 22.2445 22.2522 k =-0.2572 0.4413 0.6508 ( 611 PWs) bands (ev): -8.7793 -8.7792 -6.1675 -6.1673 -1.4314 -1.4302 4.0816 4.0849 5.2784 5.2789 8.7735 8.7764 12.7689 12.7692 18.2745 18.2761 19.6912 19.6972 20.6844 20.6909 22.2484 22.2560 k =-0.2611 0.4480 0.6430 ( 611 PWs) bands (ev): -8.7923 -8.7923 -6.1816 -6.1814 -1.4443 -1.4432 4.0901 4.0934 5.3525 5.3529 8.7727 8.7756 12.8221 12.8224 18.1905 18.1918 19.7132 19.7188 20.6900 20.6960 22.2515 22.2592 k =-0.2650 0.4548 0.6352 ( 611 PWs) bands (ev): -8.8039 -8.8038 -6.1940 -6.1939 -1.4558 -1.4546 4.0973 4.1006 5.4192 5.4196 8.7717 8.7747 12.8701 12.8704 18.1131 18.1142 19.7342 19.7396 20.6954 20.7008 22.2540 22.2616 k =-0.2690 0.4615 0.6275 ( 609 PWs) bands (ev): -8.8139 -8.8138 -6.2048 -6.2047 -1.4657 -1.4646 4.1035 4.1068 5.4782 5.4784 8.7708 8.7738 12.9125 12.9127 18.0437 18.0445 19.7534 19.7587 20.7005 20.7053 22.2560 22.2636 k =-0.2729 0.4682 0.6197 ( 611 PWs) bands (ev): -8.8223 -8.8223 -6.2140 -6.2138 -1.4742 -1.4731 4.1085 4.1118 5.5288 5.5290 8.7699 8.7729 12.9488 12.9490 17.9833 17.9840 19.7703 19.7754 20.7051 20.7091 22.2575 22.2650 k =-0.2768 0.4749 0.6119 ( 611 PWs) bands (ev): -8.8293 -8.8292 -6.2214 -6.2213 -1.4812 -1.4800 4.1127 4.1159 5.5708 5.5710 8.7691 8.7721 12.9790 12.9792 17.9328 17.9334 19.7845 19.7894 20.7091 20.7124 22.2586 22.2661 k =-0.2807 0.4816 0.6041 ( 609 PWs) bands (ev): -8.8347 -8.8347 -6.2272 -6.2271 -1.4866 -1.4854 4.1159 4.1191 5.6039 5.6040 8.7684 8.7714 13.0028 13.0030 17.8930 17.8934 19.7958 19.8006 20.7126 20.7151 22.2594 22.2669 k =-0.2846 0.4884 0.5964 ( 611 PWs) bands (ev): -8.8386 -8.8385 -6.2314 -6.2313 -1.4904 -1.4893 4.1181 4.1213 5.6277 5.6277 8.7679 8.7710 13.0198 13.0199 17.8641 17.8645 19.8038 19.8086 20.7150 20.7167 22.2599 22.2674 k =-0.2885 0.4951 0.5886 ( 611 PWs) bands (ev): -8.8409 -8.8409 -6.2339 -6.2338 -1.4928 -1.4916 4.1194 4.1227 5.6420 5.6421 8.7676 8.7706 13.0301 13.0302 17.8466 17.8470 19.8087 19.8134 20.7167 20.7176 22.2601 22.2676 k =-0.2925 0.5018 0.5808 ( 611 PWs) bands (ev): -8.8417 -8.8417 -6.2347 -6.2346 -1.4935 -1.4924 4.1198 4.1231 5.6468 5.6468 8.7675 8.7705 13.0336 13.0336 17.8408 17.8411 19.8104 19.8150 20.7176 20.7176 22.2602 22.2677 k =-0.2925 0.5018 0.5808 ( 611 PWs) bands (ev): -8.8417 -8.8417 -6.2347 -6.2346 -1.4935 -1.4924 4.1198 4.1231 5.6468 5.6468 8.7675 8.7705 13.0336 13.0336 17.8408 17.8411 19.8104 19.8150 20.7176 20.7176 22.2602 22.2677 k =-0.2886 0.4951 0.5731 ( 611 PWs) bands (ev): -8.8651 -8.8650 -6.1275 -6.1274 -1.5442 -1.5431 4.0566 4.0598 5.6796 5.6796 8.6625 8.6655 12.9763 12.9763 17.8882 17.8885 19.8235 19.8283 20.7404 20.7404 22.3209 22.3285 k =-0.2847 0.4884 0.5653 ( 611 PWs) bands (ev): -8.8917 -8.8916 -6.0187 -6.0186 -1.5896 -1.5884 3.9934 3.9967 5.7116 5.7116 8.5601 8.5632 12.9183 12.9183 17.9338 17.9341 19.8368 19.8418 20.7650 20.7650 22.3820 22.3897 k =-0.2808 0.4817 0.5576 ( 611 PWs) bands (ev): -8.9215 -8.9214 -5.9085 -5.9083 -1.6297 -1.6285 3.9304 3.9337 5.7429 5.7430 8.4605 8.4636 12.8596 12.8596 17.9774 17.9776 19.8505 19.8556 20.7914 20.7914 22.4434 22.4511 k =-0.2769 0.4750 0.5498 ( 611 PWs) bands (ev): -8.9544 -8.9544 -5.7968 -5.7967 -1.6646 -1.6634 3.8678 3.8711 5.7735 5.7735 8.3638 8.3668 12.8002 12.8002 18.0188 18.0189 19.8648 19.8700 20.8197 20.8197 22.5050 22.5128 k =-0.2730 0.4683 0.5421 ( 611 PWs) bands (ev): -8.9905 -8.9905 -5.6837 -5.6836 -1.6944 -1.6932 3.8055 3.8088 5.8032 5.8032 8.2700 8.2730 12.7404 12.7404 18.0576 18.0578 19.8798 19.8851 20.8498 20.8498 22.5667 22.5746 k =-0.2691 0.4617 0.5343 ( 615 PWs) bands (ev): -9.0297 -9.0296 -5.5693 -5.5692 -1.7194 -1.7182 3.7437 3.7470 5.8319 5.8319 8.1793 8.1823 12.6799 12.6799 18.0937 18.0938 19.8957 19.9013 20.8817 20.8817 22.6285 22.6364 k =-0.2652 0.4550 0.5266 ( 611 PWs) bands (ev): -9.0718 -9.0717 -5.4536 -5.4535 -1.7396 -1.7384 3.6825 3.6859 5.8598 5.8598 8.0918 8.0948 12.6195 12.6195 18.1269 18.1270 19.9129 19.9186 20.9160 20.9160 22.6903 22.6984 k =-0.2613 0.4483 0.5189 ( 609 PWs) bands (ev): -9.1168 -9.1167 -5.3368 -5.3367 -1.7552 -1.7539 3.6220 3.6253 5.8867 5.8867 8.0077 8.0107 12.5585 12.5585 18.1569 18.1569 19.9315 19.9373 20.9517 20.9517 22.7520 22.7601 k =-0.2574 0.4416 0.5111 ( 609 PWs) bands (ev): -9.1645 -9.1644 -5.2187 -5.2186 -1.7663 -1.7651 3.5623 3.5656 5.9125 5.9125 7.9271 7.9300 12.4972 12.4972 18.1835 18.1835 19.9517 19.9576 20.9894 20.9894 22.8133 22.8214 k =-0.2535 0.4349 0.5034 ( 609 PWs) bands (ev): -9.2148 -9.2147 -5.0997 -5.0995 -1.7734 -1.7721 3.5034 3.5068 5.9373 5.9373 7.8499 7.8528 12.4358 12.4358 18.2064 18.2064 19.9737 19.9798 21.0290 21.0290 22.8740 22.8822 k =-0.2496 0.4282 0.4956 ( 611 PWs) bands (ev): -9.2676 -9.2675 -4.9796 -4.9795 -1.7765 -1.7752 3.4456 3.4489 5.9609 5.9609 7.7763 7.7792 12.3742 12.3742 18.2255 18.2256 19.9978 20.0040 21.0704 21.0704 22.9340 22.9423 k =-0.2457 0.4215 0.4879 ( 607 PWs) bands (ev): -9.3226 -9.3226 -4.8586 -4.8585 -1.7759 -1.7746 3.3889 3.3922 5.9834 5.9834 7.7065 7.7095 12.3127 12.3127 18.2408 18.2409 20.0240 20.0303 21.1138 21.1138 22.9933 23.0017 k =-0.2418 0.4148 0.4801 ( 607 PWs) bands (ev): -9.3799 -9.3798 -4.7368 -4.7367 -1.7719 -1.7706 3.3334 3.3367 6.0047 6.0047 7.6407 7.6436 12.2512 12.2512 18.2519 18.2521 20.0524 20.0588 21.1591 21.1591 23.0513 23.0597 k =-0.2379 0.4081 0.4724 ( 607 PWs) bands (ev): -9.4391 -9.4390 -4.6143 -4.6142 -1.7648 -1.7635 3.2792 3.2826 6.0248 6.0248 7.5788 7.5817 12.1897 12.1898 18.2591 18.2592 20.0832 20.0896 21.2063 21.2063 23.1079 23.1164 k =-0.2340 0.4014 0.4646 ( 607 PWs) bands (ev): -9.5001 -9.5000 -4.4912 -4.4911 -1.7547 -1.7534 3.2266 3.2299 6.0436 6.0436 7.5211 7.5239 12.1285 12.1285 18.2621 18.2622 20.1163 20.1228 21.2553 21.2553 23.1628 23.1714 k =-0.2301 0.3947 0.4569 ( 603 PWs) bands (ev): -9.5628 -9.5627 -4.3676 -4.3675 -1.7420 -1.7407 3.1757 3.1790 6.0612 6.0612 7.4677 7.4705 12.0675 12.0676 18.2611 18.2612 20.1518 20.1584 21.3063 21.3063 23.2159 23.2246 k =-0.2262 0.3881 0.4492 ( 607 PWs) bands (ev): -9.6269 -9.6268 -4.2436 -4.2435 -1.7271 -1.7257 3.1264 3.1296 6.0775 6.0776 7.4184 7.4212 12.0069 12.0069 18.2560 18.2561 20.1895 20.1962 21.3590 21.3590 23.2663 23.2751 k =-0.2223 0.3814 0.4414 ( 603 PWs) bands (ev): -9.6924 -9.6923 -4.1193 -4.1192 -1.7100 -1.7087 3.0791 3.0824 6.0926 6.0926 7.3737 7.3765 11.9466 11.9466 18.2471 18.2472 20.2296 20.2364 21.4136 21.4136 23.3144 23.3233 k =-0.2184 0.3747 0.4337 ( 603 PWs) bands (ev): -9.7590 -9.7589 -3.9950 -3.9949 -1.6912 -1.6898 3.0339 3.0372 6.1063 6.1063 7.3335 7.3362 11.8867 11.8867 18.2344 18.2345 20.2717 20.2785 21.4700 21.4700 23.3593 23.3683 k =-0.2145 0.3680 0.4259 ( 603 PWs) bands (ev): -9.8265 -9.8265 -3.8707 -3.8706 -1.6708 -1.6694 2.9910 2.9942 6.1187 6.1187 7.2979 7.3006 11.8273 11.8273 18.2181 18.2182 20.3157 20.3226 21.5282 21.5282 23.4008 23.4099 k =-0.2106 0.3613 0.4182 ( 607 PWs) bands (ev): -9.8949 -9.8949 -3.7467 -3.7465 -1.6493 -1.6478 2.9504 2.9536 6.1298 6.1298 7.2670 7.2697 11.7684 11.7684 18.1983 18.1984 20.3614 20.3684 21.5881 21.5881 23.4381 23.4472 k =-0.2067 0.3546 0.4104 ( 607 PWs) bands (ev): -9.9640 -9.9639 -3.6230 -3.6229 -1.6267 -1.6252 2.9125 2.9157 6.1396 6.1396 7.2410 7.2436 11.7101 11.7101 18.1752 18.1752 20.4090 20.4160 21.6497 21.6497 23.4712 23.4804 k =-0.2028 0.3479 0.4027 ( 607 PWs) bands (ev): -10.0336 -10.0335 -3.5000 -3.4998 -1.6033 -1.6019 2.8774 2.8806 6.1482 6.1482 7.2199 7.2225 11.6524 11.6525 18.1490 18.1490 20.4581 20.4651 21.7130 21.7130 23.4993 23.5087 k =-0.1989 0.3412 0.3949 ( 603 PWs) bands (ev): -10.1035 -10.1034 -3.3777 -3.3775 -1.5795 -1.5780 2.8454 2.8485 6.1555 6.1555 7.2038 7.2064 11.5956 11.5956 18.1198 18.1199 20.5086 20.5157 21.7779 21.7779 23.5221 23.5316 k =-0.1950 0.3345 0.3872 ( 603 PWs) bands (ev): -10.1737 -10.1736 -3.2564 -3.2563 -1.5553 -1.5539 2.8166 2.8197 6.1615 6.1615 7.1927 7.1953 11.5393 11.5393 18.0879 18.0879 20.5603 20.5674 21.8443 21.8443 23.5388 23.5483 k =-0.1911 0.3278 0.3795 ( 603 PWs) bands (ev): -10.2439 -10.2439 -3.1364 -3.1362 -1.5312 -1.5297 2.7912 2.7943 6.1662 6.1662 7.1867 7.1892 11.4838 11.4838 18.0532 18.0533 20.6131 20.6202 21.9121 21.9121 23.5488 23.5585 k =-0.1872 0.3212 0.3717 ( 603 PWs) bands (ev): -10.3142 -10.3141 -3.0179 -3.0177 -1.5071 -1.5057 2.7696 2.7727 6.1697 6.1697 7.1858 7.1883 11.4291 11.4291 18.0162 18.0163 20.6667 20.6739 21.9813 21.9814 23.5517 23.5614 k =-0.1833 0.3145 0.3640 ( 603 PWs) bands (ev): -10.3843 -10.3842 -2.9011 -2.9010 -1.4834 -1.4819 2.7520 2.7549 6.1720 6.1720 7.1901 7.1925 11.3752 11.3753 17.9767 17.9769 20.7211 20.7283 22.0519 22.0519 23.5468 23.5566 k =-0.1794 0.3078 0.3562 ( 607 PWs) bands (ev): -10.4541 -10.4541 -2.7864 -2.7862 -1.4601 -1.4587 2.7384 2.7414 6.1731 6.1731 7.1993 7.2017 11.3222 11.3222 17.9350 17.9352 20.7761 20.7834 22.1237 22.1237 23.5333 23.5431 k =-0.1755 0.3011 0.3485 ( 607 PWs) bands (ev): -10.5236 -10.5235 -2.6740 -2.6738 -1.4374 -1.4360 2.7295 2.7324 6.1729 6.1729 7.2139 7.2161 11.2700 11.2700 17.8913 17.8915 20.8316 20.8389 22.1967 22.1967 23.5113 23.5211 k =-0.1716 0.2944 0.3407 ( 607 PWs) bands (ev): -10.5926 -10.5926 -2.5642 -2.5640 -1.4156 -1.4142 2.7252 2.7280 6.1718 6.1718 7.2335 7.2358 11.2188 11.2188 17.8455 17.8457 20.8875 20.8949 22.2707 22.2707 23.4800 23.4898 k =-0.1677 0.2877 0.3330 ( 605 PWs) bands (ev): -10.6611 -10.6610 -2.4573 -2.4571 -1.3946 -1.3932 2.7260 2.7288 6.1697 6.1697 7.2584 7.2606 11.1686 11.1686 17.7979 17.7981 20.9437 20.9511 22.3457 22.3457 23.4392 23.4490 k =-0.1638 0.2810 0.3253 ( 605 PWs) bands (ev): -10.7288 -10.7288 -2.3536 -2.3534 -1.3747 -1.3733 2.7320 2.7347 6.1666 6.1666 7.2882 7.2904 11.1193 11.1193 17.7483 17.7486 20.9999 21.0074 22.4216 22.4216 23.3886 23.3983 k =-0.1599 0.2743 0.3175 ( 605 PWs) bands (ev): -10.7959 -10.7958 -2.2534 -2.2532 -1.3559 -1.3545 2.7435 2.7461 6.1624 6.1625 7.3230 7.3251 11.0710 11.0710 17.6970 17.6973 21.0561 21.0637 22.4982 22.4983 23.3282 23.3378 k =-0.1560 0.2676 0.3098 ( 605 PWs) bands (ev): -10.8621 -10.8621 -2.1570 -2.1568 -1.3382 -1.3368 2.7607 2.7633 6.1574 6.1574 7.3627 7.3647 11.0237 11.0237 17.6440 17.6443 21.1122 21.1198 22.5755 22.5756 23.2581 23.2676 k =-0.1521 0.2609 0.3020 ( 605 PWs) bands (ev): -10.9274 -10.9274 -2.0647 -2.0645 -1.3217 -1.3203 2.7839 2.7864 6.1516 6.1516 7.4071 7.4092 10.9775 10.9775 17.5892 17.5895 21.1680 21.1758 22.6533 22.6534 23.1787 23.1881 k =-0.1482 0.2542 0.2943 ( 605 PWs) bands (ev): -10.9918 -10.9917 -1.9767 -1.9765 -1.3064 -1.3051 2.8132 2.8156 6.1449 6.1449 7.4563 7.4583 10.9323 10.9323 17.5328 17.5331 21.2235 21.2314 22.7315 22.7317 23.0905 23.0997 k =-0.1443 0.2476 0.2865 ( 601 PWs) bands (ev): -11.0551 -11.0550 -1.8932 -1.8930 -1.2923 -1.2910 2.8488 2.8512 6.1375 6.1375 7.5100 7.5119 10.8882 10.8882 17.4747 17.4750 21.2785 21.2865 22.8103 22.8105 22.9941 23.0031 k =-0.1404 0.2409 0.2788 ( 601 PWs) bands (ev): -11.1173 -11.1172 -1.8146 -1.8143 -1.2794 -1.2782 2.8907 2.8930 6.1294 6.1294 7.5680 7.5699 10.8452 10.8452 17.4149 17.4153 21.3328 21.3409 22.8832 22.8890 22.8959 22.8993 k =-0.1365 0.2342 0.2710 ( 601 PWs) bands (ev): -11.1783 -11.1783 -1.7408 -1.7406 -1.2677 -1.2666 2.9390 2.9412 6.1207 6.1207 7.6302 7.6320 10.8032 10.8032 17.3535 17.3538 21.3863 21.3945 22.7792 22.7885 22.9679 22.9681 k =-0.1326 0.2275 0.2633 ( 601 PWs) bands (ev): -11.2382 -11.2381 -1.6721 -1.6719 -1.2571 -1.2560 2.9937 2.9958 6.1114 6.1114 7.6964 7.6982 10.7623 10.7623 17.2903 17.2907 21.4386 21.4471 22.6633 22.6724 23.0466 23.0466 k =-0.1287 0.2208 0.2556 ( 603 PWs) bands (ev): -11.2967 -11.2967 -1.6086 -1.6085 -1.2475 -1.2465 3.0547 3.0568 6.1015 6.1015 7.7663 7.7680 10.7226 10.7226 17.2254 17.2258 21.4894 21.4982 22.5428 22.5518 23.1249 23.1250 k =-0.1248 0.2141 0.2478 ( 603 PWs) bands (ev): -11.3539 -11.3539 -1.5504 -1.5503 -1.2388 -1.2379 3.1219 3.1239 6.0912 6.0912 7.8398 7.8415 10.6839 10.6839 17.1588 17.1592 21.5382 21.5473 22.4195 22.4285 23.2029 23.2029 k =-0.1209 0.2074 0.2401 ( 599 PWs) bands (ev): -11.4098 -11.4097 -1.4974 -1.4974 -1.2307 -1.2299 3.1952 3.1972 6.0806 6.0806 7.9167 7.9184 10.6464 10.6464 17.0905 17.0908 21.5839 21.5934 22.2952 22.3044 23.2804 23.2804 k =-0.1170 0.2007 0.2323 ( 597 PWs) bands (ev): -11.4642 -11.4642 -1.4500 -1.4499 -1.2231 -1.2224 3.2743 3.2762 6.0696 6.0696 7.9966 7.9983 10.6100 10.6100 17.0202 17.0205 21.6239 21.6339 22.1730 22.1824 23.3573 23.3573 k =-0.1131 0.1940 0.2246 ( 595 PWs) bands (ev): -11.5172 -11.5172 -1.4082 -1.4080 -1.2155 -1.2151 3.3588 3.3606 6.0583 6.0583 8.0793 8.0810 10.5748 10.5748 16.9482 16.9486 21.6527 21.6632 22.0595 22.0691 23.4333 23.4333 k =-0.1092 0.1873 0.2168 ( 595 PWs) bands (ev): -11.5687 -11.5687 -1.3723 -1.3719 -1.2076 -1.2074 3.4484 3.4501 6.0467 6.0467 8.1645 8.1661 10.5407 10.5407 16.8744 16.8747 21.6559 21.6656 21.9709 21.9794 23.5083 23.5083 k =-0.1053 0.1806 0.2091 ( 595 PWs) bands (ev): -11.6186 -11.6186 -1.3424 -1.3419 -1.1988 -1.1987 3.5427 3.5443 6.0350 6.0350 8.2519 8.2534 10.5077 10.5077 16.7987 16.7990 21.6116 21.6177 21.9315 21.9362 23.5822 23.5822 k =-0.1014 0.1740 0.2013 ( 595 PWs) bands (ev): -11.6670 -11.6670 -1.3188 -1.3181 -1.1887 -1.1885 3.6412 3.6428 6.0233 6.0233 8.3411 8.3426 10.4759 10.4759 16.7211 16.7214 21.5214 21.5237 21.9378 21.9385 23.6548 23.6548 k =-0.0975 0.1673 0.1936 ( 595 PWs) bands (ev): -11.7138 -11.7138 -1.3014 -1.3005 -1.1770 -1.1765 3.7436 3.7451 6.0114 6.0114 8.4319 8.4334 10.4452 10.4453 16.6417 16.6420 21.4087 21.4089 21.9634 21.9652 23.7261 23.7261 k =-0.0936 0.1606 0.1859 ( 595 PWs) bands (ev): -11.7590 -11.7590 -1.2893 -1.2883 -1.1639 -1.1633 3.8493 3.8507 5.9995 5.9995 8.5238 8.5252 10.4158 10.4158 16.5605 16.5608 21.2869 21.2878 21.9973 22.0003 23.7958 23.7958 k =-0.0897 0.1539 0.1781 ( 595 PWs) bands (ev): -11.8025 -11.8025 -1.2818 -1.2806 -1.1502 -1.1495 3.9578 3.9591 5.9878 5.9878 8.6167 8.6181 10.3875 10.3875 16.4777 16.4779 21.1636 21.1651 22.0343 22.0382 23.8638 23.8638 k =-0.0858 0.1472 0.1704 ( 593 PWs) bands (ev): -11.8444 -11.8443 -1.2774 -1.2763 -1.1367 -1.1360 4.0686 4.0699 5.9761 5.9761 8.7102 8.7115 10.3603 10.3604 16.3932 16.3934 21.0415 21.0433 22.0725 22.0767 23.9301 23.9301 k =-0.0819 0.1405 0.1626 ( 593 PWs) bands (ev): -11.8845 -11.8845 -1.2755 -1.2744 -1.1239 -1.1232 4.1810 4.1822 5.9646 5.9646 8.8037 8.8050 10.3344 10.3344 16.3073 16.3075 20.9218 20.9238 22.1105 22.1151 23.9943 23.9944 k =-0.0780 0.1338 0.1549 ( 593 PWs) bands (ev): -11.9229 -11.9229 -1.2753 -1.2742 -1.1123 -1.1115 4.2945 4.2957 5.9532 5.9532 8.8968 8.8981 10.3096 10.3096 16.2202 16.2204 20.8057 20.8076 22.1478 22.1526 24.0560 24.0566 k =-0.0741 0.1271 0.1471 ( 589 PWs) bands (ev): -11.9595 -11.9595 -1.2763 -1.2753 -1.1019 -1.1012 4.4086 4.4097 5.9422 5.9422 8.9895 8.9907 10.2862 10.2862 16.1322 16.1323 20.6936 20.6956 22.1841 22.1890 24.0136 24.0160 k =-0.0702 0.1204 0.1394 ( 589 PWs) bands (ev): -11.9944 -11.9944 -1.2782 -1.2772 -1.0927 -1.0921 4.5225 4.5236 5.9315 5.9315 9.0809 9.0821 10.2638 10.2638 16.0435 16.0436 20.5861 20.5880 22.2190 22.2241 23.9451 23.9472 k =-0.0663 0.1137 0.1316 ( 585 PWs) bands (ev): -12.0275 -12.0275 -1.2807 -1.2798 -1.0849 -1.0843 4.6358 4.6368 5.9210 5.9210 9.1709 9.1720 10.2426 10.2426 15.9546 15.9546 20.4837 20.4856 22.2527 22.2578 23.8758 23.8776 k =-0.0624 0.1071 0.1239 ( 585 PWs) bands (ev): -12.0588 -12.0588 -1.2837 -1.2829 -1.0782 -1.0776 4.7476 4.7486 5.9110 5.9110 9.2588 9.2599 10.2225 10.2225 15.8658 15.8658 20.3866 20.3884 22.2844 22.2895 23.8060 23.8075 k =-0.0585 0.1004 0.1162 ( 585 PWs) bands (ev): -12.0882 -12.0882 -1.2871 -1.2863 -1.0726 -1.0721 4.8575 4.8584 5.9014 5.9014 9.3445 9.3455 10.2037 10.2037 15.7776 15.7776 20.2950 20.2967 22.3143 22.3193 23.7361 23.7374 k =-0.0546 0.0937 0.1084 ( 581 PWs) bands (ev): -12.1159 -12.1158 -1.2907 -1.2899 -1.0680 -1.0675 4.9648 4.9656 5.8923 5.8923 9.4274 9.4284 10.1862 10.1862 15.6905 15.6905 20.2093 20.2109 22.3423 22.3472 23.6667 23.6678 k =-0.0507 0.0870 0.1007 ( 581 PWs) bands (ev): -12.1416 -12.1416 -1.2943 -1.2937 -1.0642 -1.0637 5.0687 5.0695 5.8836 5.8836 9.5070 9.5079 10.1698 10.1698 15.6052 15.6053 20.1294 20.1309 22.3681 22.3729 23.5984 23.5993 k =-0.0468 0.0803 0.0929 ( 581 PWs) bands (ev): -12.1656 -12.1655 -1.2980 -1.2974 -1.0612 -1.0607 5.1686 5.1694 5.8754 5.8754 9.5829 9.5838 10.1545 10.1546 15.5223 15.5224 20.0555 20.0569 22.3917 22.3963 23.5320 23.5327 k =-0.0429 0.0736 0.0852 ( 579 PWs) bands (ev): -12.1876 -12.1876 -1.3016 -1.3011 -1.0587 -1.0583 5.2640 5.2647 5.8677 5.8677 9.6549 9.6557 10.1405 10.1405 15.4425 15.4426 19.9877 19.9889 22.4130 22.4174 23.4681 23.4688 k =-0.0390 0.0669 0.0774 ( 579 PWs) bands (ev): -12.2078 -12.2077 -1.3051 -1.3046 -1.0568 -1.0565 5.3539 5.3545 5.8607 5.8607 9.7221 9.7228 10.1277 10.1277 15.3664 15.3665 19.9259 19.9270 22.4318 22.4361 23.4076 23.4082 k =-0.0351 0.0602 0.0697 ( 579 PWs) bands (ev): -12.2260 -12.2260 -1.3085 -1.3080 -1.0554 -1.0551 5.4378 5.4384 5.8542 5.8542 9.7843 9.7850 10.1162 10.1162 15.2948 15.2949 19.8702 19.8712 22.4482 22.4522 23.3512 23.3517 k =-0.0312 0.0535 0.0620 ( 579 PWs) bands (ev): -12.2424 -12.2424 -1.3116 -1.3112 -1.0543 -1.0540 5.5150 5.5155 5.8483 5.8484 9.8412 9.8418 10.1058 10.1058 15.2284 15.2285 19.8205 19.8214 22.4620 22.4657 23.2996 23.3000 k =-0.0273 0.0468 0.0542 ( 579 PWs) bands (ev): -12.2569 -12.2568 -1.3144 -1.3141 -1.0535 -1.0533 5.5849 5.5854 5.8431 5.8431 9.8924 9.8929 10.0967 10.0967 15.1678 15.1679 19.7768 19.7776 22.4734 22.4768 23.2533 23.2537 k =-0.0234 0.0401 0.0465 ( 579 PWs) bands (ev): -12.2694 -12.2694 -1.3169 -1.3166 -1.0530 -1.0528 5.6469 5.6473 5.8386 5.8386 9.9375 9.9380 10.0888 10.0888 15.1137 15.1138 19.7390 19.7397 22.4825 22.4854 23.2128 23.2132 k =-0.0195 0.0335 0.0387 ( 579 PWs) bands (ev): -12.2800 -12.2800 -1.3191 -1.3189 -1.0526 -1.0524 5.7004 5.7007 5.8347 5.8347 9.9762 9.9766 10.0821 10.0821 15.0668 15.0669 19.7072 19.7078 22.4893 22.4919 23.1785 23.1788 k =-0.0156 0.0268 0.0310 ( 579 PWs) bands (ev): -12.2887 -12.2887 -1.3209 -1.3207 -1.0523 -1.0522 5.7449 5.7452 5.8315 5.8316 10.0082 10.0085 10.0767 10.0767 15.0276 15.0276 19.6813 19.6817 22.4943 22.4964 23.1505 23.1507 k =-0.0117 0.0201 0.0232 ( 583 PWs) bands (ev): -12.2955 -12.2955 -1.3224 -1.3223 -1.0522 -1.0521 5.7799 5.7801 5.8290 5.8290 10.0331 10.0334 10.0726 10.0726 14.9965 14.9966 19.6611 19.6615 22.4977 22.4993 23.1288 23.1290 k =-0.0078 0.0134 0.0155 ( 583 PWs) bands (ev): -12.3003 -12.3003 -1.3235 -1.3234 -1.0521 -1.0520 5.8053 5.8054 5.8272 5.8272 10.0506 10.0508 10.0702 10.0702 14.9741 14.9741 19.6468 19.6470 22.4999 22.5009 23.1134 23.1136 k =-0.0039 0.0067 0.0077 ( 583 PWs) bands (ev): -12.3032 -12.3032 -1.3241 -1.3240 -1.0520 -1.0520 5.8205 5.8205 5.8263 5.8263 10.0598 10.0599 10.0702 10.0702 14.9605 14.9605 19.6382 19.6383 22.5012 22.5017 23.1043 23.1044 k = 0.0000 0.0000 0.0000 ( 583 PWs) bands (ev): -12.3042 -12.3042 -1.3243 -1.3243 -1.0520 -1.0520 5.8248 5.8248 5.8267 5.8267 10.0618 10.0618 10.0712 10.0712 14.9559 14.9559 19.6354 19.6354 22.5018 22.5018 23.1013 23.1013 k = 0.0000 0.0000 0.0000 ( 583 PWs) bands (ev): -12.3042 -12.3042 -1.3243 -1.3243 -1.0520 -1.0520 5.8248 5.8248 5.8267 5.8267 10.0618 10.0618 10.0712 10.0712 14.9559 14.9559 19.6354 19.6354 22.5018 22.5018 23.1013 23.1013 k = 0.0094 0.0055 0.0000 ( 583 PWs) bands (ev): -12.3031 -12.3031 -1.4161 -1.4161 -0.9597 -0.9597 5.8226 5.8226 5.8245 5.8245 10.0657 10.0657 10.0751 10.0751 14.9553 14.9553 19.6327 19.6327 22.5040 22.5040 23.1031 23.1031 k = 0.0189 0.0110 0.0000 ( 583 PWs) bands (ev): -12.2999 -12.2999 -1.5780 -1.5780 -0.7966 -0.7966 5.8161 5.8161 5.8180 5.8180 10.0772 10.0772 10.0867 10.0867 14.9536 14.9536 19.6246 19.6246 22.5107 22.5107 23.1085 23.1085 k = 0.0283 0.0165-0.0000 ( 584 PWs) bands (ev): -12.2944 -12.2944 -1.7521 -1.7521 -0.6204 -0.6204 5.8052 5.8053 5.8073 5.8073 10.0964 10.0964 10.1059 10.1059 14.9506 14.9506 19.6112 19.6112 22.5216 22.5216 23.1175 23.1175 k = 0.0377 0.0220 0.0000 ( 580 PWs) bands (ev): -12.2869 -12.2869 -1.9293 -1.9293 -0.4402 -0.4402 5.7903 5.7903 5.7925 5.7925 10.1231 10.1231 10.1326 10.1326 14.9465 14.9465 19.5928 19.5928 22.5366 22.5366 23.1300 23.1300 k = 0.0472 0.0275-0.0000 ( 580 PWs) bands (ev): -12.2771 -12.2771 -2.1075 -2.1075 -0.2584 -0.2584 5.7714 5.7714 5.7736 5.7737 10.1570 10.1570 10.1665 10.1665 14.9413 14.9413 19.5696 19.5696 22.5552 22.5552 23.1461 23.1461 k = 0.0566 0.0330-0.0000 ( 580 PWs) bands (ev): -12.2652 -12.2652 -2.2858 -2.2858 -0.0756 -0.0756 5.7487 5.7488 5.7511 5.7511 10.1980 10.1980 10.2075 10.2075 14.9349 14.9349 19.5419 19.5419 22.5769 22.5769 23.1656 23.1656 k = 0.0660 0.0385 0.0000 ( 580 PWs) bands (ev): -12.2511 -12.2511 -2.4638 -2.4638 0.1077 0.1077 5.7226 5.7226 5.7251 5.7252 10.2457 10.2457 10.2552 10.2552 14.9276 14.9276 19.5100 19.5100 22.6012 22.6012 23.1886 23.1886 k = 0.0755 0.0440 0.0000 ( 580 PWs) bands (ev): -12.2349 -12.2349 -2.6414 -2.6414 0.2911 0.2911 5.6933 5.6933 5.6960 5.6960 10.2998 10.2998 10.3094 10.3094 14.9192 14.9192 19.4744 19.4744 22.6274 22.6274 23.2148 23.2148 k = 0.0849 0.0495-0.0000 ( 580 PWs) bands (ev): -12.2164 -12.2164 -2.8183 -2.8183 0.4745 0.4745 5.6611 5.6611 5.6639 5.6639 10.3602 10.3602 10.3698 10.3698 14.9099 14.9099 19.4353 19.4353 22.6550 22.6550 23.2442 23.2442 k = 0.0943 0.0550-0.0000 ( 580 PWs) bands (ev): -12.1959 -12.1959 -2.9944 -2.9944 0.6579 0.6579 5.6263 5.6263 5.6292 5.6292 10.4263 10.4263 10.4360 10.4360 14.8997 14.8997 19.3932 19.3932 22.6833 22.6833 23.2768 23.2768 k = 0.1038 0.0605-0.0000 ( 580 PWs) bands (ev): -12.1731 -12.1731 -3.1697 -3.1697 0.8410 0.8410 5.5892 5.5892 5.5922 5.5922 10.4979 10.4979 10.5076 10.5076 14.8887 14.8887 19.3484 19.3484 22.7116 22.7116 23.3123 23.3123 k = 0.1132 0.0660-0.0000 ( 584 PWs) bands (ev): -12.1483 -12.1483 -3.3442 -3.3442 1.0236 1.0236 5.5500 5.5500 5.5532 5.5532 10.5747 10.5747 10.5844 10.5844 14.8770 14.8770 19.3013 19.3013 22.7389 22.7389 23.3505 23.3505 k = 0.1226 0.0715-0.0000 ( 584 PWs) bands (ev): -12.1212 -12.1212 -3.5177 -3.5177 1.2058 1.2058 5.5092 5.5092 5.5125 5.5125 10.6562 10.6562 10.6661 10.6661 14.8645 14.8645 19.2522 19.2522 22.7651 22.7651 23.3914 23.3914 k = 0.1321 0.0770 0.0000 ( 584 PWs) bands (ev): -12.0920 -12.0920 -3.6901 -3.6901 1.3874 1.3874 5.4669 5.4670 5.4703 5.4704 10.7423 10.7423 10.7522 10.7522 14.8515 14.8515 19.2013 19.2013 22.7892 22.7892 23.4348 23.4348 k = 0.1415 0.0825-0.0000 ( 584 PWs) bands (ev): -12.0607 -12.0607 -3.8615 -3.8615 1.5682 1.5682 5.4235 5.4235 5.4270 5.4271 10.8326 10.8326 10.8425 10.8425 14.8380 14.8380 19.1491 19.1491 22.8106 22.8106 23.4804 23.4804 k = 0.1509 0.0880 0.0000 ( 584 PWs) bands (ev): -12.0272 -12.0272 -4.0318 -4.0318 1.7481 1.7481 5.3792 5.3792 5.3828 5.3828 10.9267 10.9267 10.9367 10.9367 14.8240 14.8240 19.0957 19.0957 22.8286 22.8286 23.5280 23.5280 k = 0.1604 0.0935-0.0000 ( 584 PWs) bands (ev): -11.9916 -11.9916 -4.2010 -4.2010 1.9270 1.9270 5.3342 5.3342 5.3379 5.3379 11.0244 11.0244 11.0344 11.0344 14.8097 14.8097 19.0413 19.0413 22.8424 22.8424 23.5775 23.5775 k = 0.1698 0.0990-0.0000 ( 584 PWs) bands (ev): -11.9538 -11.9538 -4.3690 -4.3690 2.1048 2.1048 5.2887 5.2888 5.2925 5.2926 11.1253 11.1253 11.1354 11.1354 14.7951 14.7951 18.9862 18.9862 22.8516 22.8516 23.6288 23.6288 k = 0.1792 0.1045-0.0000 ( 592 PWs) bands (ev): -11.9139 -11.9139 -4.5359 -4.5359 2.2811 2.2811 5.2430 5.2430 5.2469 5.2469 11.2292 11.2292 11.2395 11.2395 14.7803 14.7803 18.9304 18.9304 22.8555 22.8555 23.6814 23.6814 k = 0.1887 0.1100-0.0000 ( 592 PWs) bands (ev): -11.8718 -11.8718 -4.7014 -4.7014 2.4562 2.4562 5.1972 5.1972 5.2012 5.2012 11.3359 11.3359 11.3462 11.3462 14.7655 14.7655 18.8743 18.8743 22.8538 22.8538 23.6939 23.6939 k = 0.1981 0.1155-0.0000 ( 592 PWs) bands (ev): -11.8276 -11.8276 -4.8657 -4.8657 2.6296 2.6296 5.1516 5.1516 5.1556 5.1556 11.4450 11.4450 11.4554 11.4554 14.7506 14.7506 18.8180 18.8180 22.8458 22.8458 23.5981 23.5981 k = 0.2075 0.1210-0.0000 ( 592 PWs) bands (ev): -11.7813 -11.7813 -5.0287 -5.0287 2.8013 2.8013 5.1062 5.1062 5.1103 5.1103 11.5564 11.5564 11.5668 11.5668 14.7359 14.7359 18.7617 18.7617 22.8314 22.8314 23.4990 23.4990 k = 0.2170 0.1265-0.0000 ( 592 PWs) bands (ev): -11.7329 -11.7329 -5.1903 -5.1903 2.9710 2.9710 5.0612 5.0612 5.0653 5.0654 11.6697 11.6697 11.6802 11.6802 14.7213 14.7213 18.7053 18.7053 22.8104 22.8104 23.3971 23.3971 k = 0.2264 0.1320-0.0000 ( 592 PWs) bands (ev): -11.6823 -11.6823 -5.3505 -5.3505 3.1387 3.1387 5.0168 5.0168 5.0210 5.0210 11.7846 11.7846 11.7953 11.7953 14.7069 14.7069 18.6491 18.6491 22.7826 22.7826 23.2926 23.2926 k = 0.2358 0.1375-0.0000 ( 600 PWs) bands (ev): -11.6296 -11.6296 -5.5094 -5.5094 3.3039 3.3039 4.9731 4.9731 4.9773 4.9773 11.9009 11.9009 11.9117 11.9117 14.6928 14.6928 18.5930 18.5930 22.7481 22.7481 23.1847 23.1847 k = 0.2453 0.1430-0.0000 ( 596 PWs) bands (ev): -11.5748 -11.5748 -5.6668 -5.6668 3.4668 3.4668 4.9301 4.9301 4.9344 4.9344 12.0187 12.0187 12.0295 12.0295 14.6793 14.6793 18.5374 18.5374 22.7074 22.7074 23.0757 23.0757 k = 0.2547 0.1485-0.0000 ( 596 PWs) bands (ev): -11.5180 -11.5180 -5.8228 -5.8228 3.6270 3.6270 4.8881 4.8881 4.8924 4.8924 12.1372 12.1372 12.1482 12.1482 14.6661 14.6661 18.4821 18.4821 22.6604 22.6604 22.9648 22.9648 k = 0.2642 0.1540 0.0000 ( 596 PWs) bands (ev): -11.4590 -11.4590 -5.9773 -5.9773 3.7842 3.7842 4.8470 4.8470 4.8514 4.8514 12.2563 12.2563 12.2674 12.2674 14.6534 14.6534 18.4273 18.4273 22.6077 22.6077 22.8524 22.8524 k = 0.2736 0.1595-0.0000 ( 596 PWs) bands (ev): -11.3979 -11.3979 -6.1302 -6.1302 3.9384 3.9384 4.8071 4.8071 4.8115 4.8115 12.3759 12.3759 12.3871 12.3871 14.6414 14.6414 18.3731 18.3731 22.5498 22.5498 22.7388 22.7388 k = 0.2830 0.1649-0.0000 ( 600 PWs) bands (ev): -11.3347 -11.3347 -6.2818 -6.2818 4.0891 4.0891 4.7682 4.7683 4.7727 4.7727 12.4955 12.4955 12.5069 12.5069 14.6299 14.6299 18.3195 18.3195 22.4874 22.4874 22.6242 22.6242 k = 0.2925 0.1704-0.0000 ( 600 PWs) bands (ev): -11.2695 -11.2695 -6.4317 -6.4317 4.2363 4.2363 4.7307 4.7307 4.7351 4.7351 12.6150 12.6150 12.6266 12.6266 14.6192 14.6192 18.2666 18.2666 22.4212 22.4212 22.5091 22.5091 k = 0.3019 0.1759-0.0000 ( 600 PWs) bands (ev): -11.2022 -11.2022 -6.5800 -6.5800 4.3797 4.3797 4.6944 4.6944 4.6989 4.6989 12.7340 12.7340 12.7457 12.7457 14.6092 14.6092 18.2146 18.2146 22.3519 22.3519 22.3938 22.3939 k = 0.3113 0.1814-0.0000 ( 600 PWs) bands (ev): -11.1328 -11.1328 -6.7267 -6.7267 4.5190 4.5190 4.6594 4.6594 4.6640 4.6640 12.8522 12.8522 12.8641 12.8641 14.6000 14.6000 18.1634 18.1634 22.2760 22.2760 22.2824 22.2824 k = 0.3208 0.1869-0.0000 ( 600 PWs) bands (ev): -11.0613 -11.0613 -6.8718 -6.8718 4.6259 4.6259 4.6300 4.6300 4.6544 4.6545 12.9693 12.9693 12.9813 12.9813 14.5916 14.5916 18.1132 18.1132 22.1635 22.1635 22.1680 22.1681 k = 0.3302 0.1924-0.0000 ( 600 PWs) bands (ev): -10.9878 -10.9878 -7.0153 -7.0153 4.5938 4.5939 4.5983 4.5983 4.7844 4.7844 13.0849 13.0849 13.0970 13.0970 14.5841 14.5841 18.0640 18.0640 22.0499 22.0499 22.0542 22.0542 k = 0.3396 0.1979-0.0000 ( 600 PWs) bands (ev): -10.9123 -10.9123 -7.1570 -7.1570 4.5633 4.5633 4.5678 4.5678 4.9099 4.9099 13.1985 13.1985 13.2108 13.2108 14.5774 14.5774 18.0160 18.0160 21.9376 21.9376 21.9417 21.9417 k = 0.3491 0.2034-0.0000 ( 600 PWs) bands (ev): -10.8348 -10.8348 -7.2971 -7.2971 4.5343 4.5343 4.5388 4.5388 5.0302 5.0302 13.3099 13.3099 13.3224 13.3224 14.5715 14.5715 17.9694 17.9694 21.8272 21.8272 21.8311 21.8312 k = 0.3585 0.2089-0.0000 ( 596 PWs) bands (ev): -10.7552 -10.7552 -7.4354 -7.4354 4.5069 4.5069 4.5114 4.5115 5.1455 5.1455 13.4185 13.4185 13.4312 13.4312 14.5664 14.5664 17.9241 17.9241 21.7191 21.7192 21.7229 21.7229 k = 0.3679 0.2144-0.0000 ( 596 PWs) bands (ev): -10.6737 -10.6737 -7.5720 -7.5720 4.4811 4.4811 4.4857 4.4857 5.2546 5.2546 13.5240 13.5240 13.5368 13.5368 14.5621 14.5621 17.8805 17.8805 21.6139 21.6140 21.6176 21.6176 k = 0.3774 0.2199-0.0000 ( 596 PWs) bands (ev): -10.5901 -10.5901 -7.7069 -7.7069 4.4570 4.4570 4.4616 4.4616 5.3577 5.3577 13.6257 13.6257 13.6387 13.6387 14.5586 14.5586 17.8386 17.8386 21.5122 21.5122 21.5156 21.5157 k = 0.3868 0.2254-0.0000 ( 596 PWs) bands (ev): -10.5047 -10.5047 -7.8399 -7.8399 4.4345 4.4345 4.4391 4.4391 5.4546 5.4546 13.7233 13.7233 13.7365 13.7365 14.5558 14.5558 17.7986 17.7986 21.4144 21.4144 21.4177 21.4177 k = 0.3962 0.2309-0.0000 ( 596 PWs) bands (ev): -10.4173 -10.4173 -7.9710 -7.9710 4.4138 4.4138 4.4184 4.4184 5.5449 5.5449 13.8161 13.8161 13.8295 13.8295 14.5536 14.5536 17.7607 17.7607 21.3211 21.3212 21.3243 21.3244 k = 0.4057 0.2364-0.0000 ( 596 PWs) bands (ev): -10.3280 -10.3280 -8.1003 -8.1003 4.3948 4.3948 4.3994 4.3994 5.6284 5.6284 13.9036 13.9036 13.9171 13.9171 14.5520 14.5520 17.7252 17.7252 21.2331 21.2331 21.2362 21.2362 k = 0.4151 0.2419-0.0000 ( 596 PWs) bands (ev): -10.2369 -10.2369 -8.2276 -8.2276 4.3775 4.3775 4.3821 4.3822 5.7048 5.7048 13.9852 13.9852 13.9989 13.9989 14.5510 14.5510 17.6922 17.6922 21.1509 21.1509 21.1538 21.1538 k = 0.4245 0.2474-0.0000 ( 604 PWs) bands (ev): -10.1440 -10.1440 -8.3529 -8.3529 4.3619 4.3619 4.3666 4.3666 5.7739 5.7739 14.0603 14.0603 14.0742 14.0742 14.5503 14.5503 17.6618 17.6618 21.0748 21.0748 21.0777 21.0777 k = 0.4340 0.2529-0.0000 ( 612 PWs) bands (ev): -10.0495 -10.0495 -8.4760 -8.4760 4.3481 4.3481 4.3527 4.3528 5.8353 5.8353 14.1282 14.1282 14.1423 14.1423 14.5500 14.5500 17.6344 17.6344 21.0060 21.0060 21.0088 21.0088 k = 0.4434 0.2584-0.0000 ( 612 PWs) bands (ev): -9.9535 -9.9535 -8.5969 -8.5969 4.3362 4.3362 4.3408 4.3409 5.8891 5.8891 14.1886 14.1886 14.2028 14.2028 14.5499 14.5499 17.6102 17.6102 20.9449 20.9450 20.9476 20.9477 k = 0.4528 0.2639-0.0000 ( 612 PWs) bands (ev): -9.8563 -9.8563 -8.7150 -8.7150 4.3261 4.3261 4.3308 4.3308 5.9350 5.9350 14.2408 14.2408 14.2551 14.2551 14.5501 14.5501 17.5894 17.5894 20.8921 20.8921 20.8948 20.8948 k = 0.4623 0.2694-0.0000 ( 608 PWs) bands (ev): -9.7585 -9.7585 -8.8300 -8.8300 4.3178 4.3178 4.3225 4.3225 5.9732 5.9732 14.2843 14.2843 14.2988 14.2988 14.5503 14.5503 17.5720 17.5720 20.8481 20.8481 20.8507 20.8508 k = 0.4717 0.2749-0.0000 ( 608 PWs) bands (ev): -9.6612 -9.6612 -8.9407 -8.9407 4.3114 4.3114 4.3161 4.3161 6.0027 6.0027 14.3187 14.3187 14.3332 14.3332 14.5506 14.5506 17.5584 17.5584 20.8134 20.8134 20.8159 20.8160 k = 0.4811 0.2804-0.0000 ( 608 PWs) bands (ev): -9.5676 -9.5676 -9.0439 -9.0439 4.3068 4.3068 4.3115 4.3115 6.0238 6.0238 14.3435 14.3435 14.3581 14.3581 14.5509 14.5509 17.5485 17.5485 20.7882 20.7882 20.7908 20.7908 k = 0.4906 0.2859-0.0000 ( 604 PWs) bands (ev): -9.4869 -9.4869 -9.1302 -9.1302 4.3040 4.3040 4.3087 4.3087 6.0367 6.0367 14.3587 14.3587 14.3733 14.3733 14.5510 14.5510 17.5426 17.5426 20.7731 20.7731 20.7757 20.7757 k = 0.5000 0.2914-0.0000 ( 612 PWs) bands (ev): -9.4494 -9.4494 -9.1697 -9.1697 4.3029 4.3029 4.3076 4.3076 6.0409 6.0409 14.3635 14.3635 14.3782 14.3782 14.5510 14.5510 17.5405 17.5405 20.7677 20.7677 20.7702 20.7702 k = 0.5000 0.2914-0.0000 ( 612 PWs) bands (ev): -9.4494 -9.4494 -9.1697 -9.1697 4.3029 4.3029 4.3076 4.3076 6.0409 6.0409 14.3635 14.3635 14.3782 14.3782 14.5510 14.5510 17.5405 17.5405 20.7677 20.7677 20.7702 20.7702 k = 0.4961 0.2981 0.0078 ( 606 PWs) bands (ev): -9.4488 -9.4487 -9.1686 -9.1686 4.2985 4.2987 4.3068 4.3068 6.0405 6.0408 14.3571 14.3576 14.3745 14.3747 14.5611 14.5613 17.5431 17.5431 20.7674 20.7674 20.7698 20.7703 k = 0.4922 0.3048 0.0156 ( 606 PWs) bands (ev): -9.4468 -9.4468 -9.1655 -9.1655 4.2807 4.2810 4.3082 4.3082 6.0399 6.0404 14.3345 14.3354 14.3711 14.3713 14.5876 14.5879 17.5505 17.5505 20.7653 20.7657 20.7685 20.7692 k = 0.4883 0.3116 0.0233 ( 606 PWs) bands (ev): -9.4436 -9.4436 -9.1603 -9.1603 4.2505 4.2509 4.3113 4.3113 6.0387 6.0395 14.3006 14.3017 14.3690 14.3691 14.6247 14.6250 17.5630 17.5630 20.7617 20.7626 20.7669 20.7674 k = 0.4843 0.3183 0.0311 ( 606 PWs) bands (ev): -9.4391 -9.4391 -9.1530 -9.1530 4.2086 4.2092 4.3158 4.3158 6.0370 6.0379 14.2597 14.2609 14.3667 14.3668 14.6690 14.6692 17.5805 17.5805 20.7568 20.7583 20.7648 20.7653 k = 0.4804 0.3250 0.0389 ( 606 PWs) bands (ev): -9.4333 -9.4333 -9.1437 -9.1436 4.1556 4.1563 4.3215 4.3215 6.0345 6.0357 14.2133 14.2146 14.3639 14.3640 14.7193 14.7194 17.6030 17.6030 20.7511 20.7531 20.7623 20.7626 k = 0.4765 0.3317 0.0467 ( 606 PWs) bands (ev): -9.4263 -9.4263 -9.1322 -9.1322 4.0921 4.0929 4.3285 4.3285 6.0311 6.0324 14.1616 14.1630 14.3606 14.3606 14.7748 14.7748 17.6306 17.6307 20.7448 20.7472 20.7592 20.7595 k = 0.4726 0.3384 0.0544 ( 606 PWs) bands (ev): -9.4181 -9.4181 -9.1187 -9.1186 4.0186 4.0195 4.3368 4.3368 6.0265 6.0280 14.1047 14.1062 14.3566 14.3567 14.8350 14.8351 17.6633 17.6634 20.7382 20.7409 20.7556 20.7558 k = 0.4687 0.3452 0.0622 ( 606 PWs) bands (ev): -9.4087 -9.4086 -9.1030 -9.1030 3.9359 3.9369 4.3464 4.3464 6.0206 6.0223 14.0425 14.0441 14.3520 14.3521 14.8997 14.8999 17.7012 17.7013 20.7318 20.7347 20.7515 20.7517 k = 0.4648 0.3519 0.0700 ( 602 PWs) bands (ev): -9.3981 -9.3980 -9.0852 -9.0852 3.8447 3.8457 4.3572 4.3572 6.0134 6.0152 13.9752 13.9768 14.3468 14.3469 14.9684 14.9687 17.7443 17.7444 20.7257 20.7288 20.7469 20.7471 k = 0.4608 0.3586 0.0778 ( 605 PWs) bands (ev): -9.3864 -9.3863 -9.0654 -9.0653 3.7453 3.7464 4.3692 4.3692 6.0043 6.0062 13.9024 13.9041 14.3409 14.3409 15.0404 15.0408 17.7923 17.7926 20.7201 20.7234 20.7418 20.7420 k = 0.4569 0.3653 0.0855 ( 601 PWs) bands (ev): -9.3736 -9.3735 -9.0433 -9.0432 3.6389 3.6400 4.3824 4.3824 5.9936 5.9956 13.8245 13.8263 14.3343 14.3343 15.1154 15.1158 17.8455 17.8458 20.7155 20.7189 20.7363 20.7365 k = 0.4530 0.3720 0.0933 ( 603 PWs) bands (ev): -9.3597 -9.3596 -9.0192 -9.0191 3.5258 3.5270 4.3968 4.3968 5.9811 5.9832 13.7416 13.7435 14.3269 14.3270 15.1925 15.1930 17.9036 17.9039 20.7117 20.7151 20.7303 20.7306 k = 0.4491 0.3788 0.1011 ( 599 PWs) bands (ev): -9.3448 -9.3447 -8.9929 -8.9928 3.4069 3.4080 4.4125 4.4125 5.9669 5.9691 13.6539 13.6558 14.3189 14.3190 15.2713 15.2719 17.9663 17.9667 20.7093 20.7127 20.7240 20.7243 k = 0.4452 0.3855 0.1089 ( 599 PWs) bands (ev): -9.3290 -9.3289 -8.9645 -8.9643 3.2826 3.2838 4.4293 4.4293 5.9507 5.9530 13.5615 13.5635 14.3100 14.3100 15.3511 15.3517 18.0335 18.0340 20.7085 20.7115 20.7172 20.7179 k = 0.4413 0.3922 0.1166 ( 599 PWs) bands (ev): -9.3122 -9.3121 -8.9339 -8.9338 3.1536 3.1548 4.4472 4.4472 5.9326 5.9349 13.4647 13.4667 14.3003 14.3003 15.4314 15.4321 18.1048 18.1053 20.7092 20.7093 20.7101 20.7139 k = 0.4373 0.3989 0.1244 ( 599 PWs) bands (ev): -9.2945 -9.2944 -8.9011 -8.9010 3.0205 3.0216 4.4663 4.4663 5.9126 5.9149 13.3637 13.3658 14.2897 14.2897 15.5118 15.5124 18.1796 18.1803 20.7025 20.7027 20.7120 20.7158 k = 0.4334 0.4056 0.1322 ( 601 PWs) bands (ev): -9.2760 -9.2759 -8.8662 -8.8661 2.8836 2.8848 4.4864 4.4864 5.8905 5.8930 13.2588 13.2610 14.2781 14.2781 15.5916 15.5923 18.2576 18.2583 20.6947 20.6948 20.7168 20.7204 k = 0.4295 0.4123 0.1400 ( 601 PWs) bands (ev): -9.2567 -9.2566 -8.8292 -8.8291 2.7437 2.7449 4.5077 4.5077 5.8666 5.8691 13.1503 13.1526 14.2657 14.2657 15.6707 15.6714 18.3379 18.3387 20.6869 20.6869 20.7239 20.7273 k = 0.4256 0.4191 0.1478 ( 599 PWs) bands (ev): -9.2368 -9.2366 -8.7900 -8.7898 2.6012 2.6023 4.5300 4.5300 5.8409 5.8434 13.0384 13.0407 14.2523 14.2523 15.7488 15.7495 18.4200 18.4209 20.6788 20.6789 20.7338 20.7369 k = 0.4217 0.4258 0.1555 ( 599 PWs) bands (ev): -9.2161 -9.2160 -8.7486 -8.7485 2.4564 2.4576 4.5534 4.5534 5.8132 5.8157 12.9234 12.9258 14.2378 14.2378 15.8256 15.8262 18.5031 18.5040 20.6706 20.6706 20.7460 20.7489 k = 0.4178 0.4325 0.1633 ( 599 PWs) bands (ev): -9.1949 -9.1948 -8.7051 -8.7050 2.3099 2.3110 4.5777 4.5777 5.7836 5.7862 12.8055 12.8079 14.2224 14.2224 15.9010 15.9016 18.5862 18.5872 20.6623 20.6623 20.7610 20.7636 k = 0.4139 0.4392 0.1711 ( 599 PWs) bands (ev): -9.1732 -9.1731 -8.6595 -8.6593 2.1621 2.1632 4.6031 4.6031 5.7522 5.7548 12.6851 12.6875 14.2058 14.2058 15.9749 15.9755 18.6687 18.6697 20.6540 20.6540 20.7789 20.7811 k = 0.4099 0.4459 0.1789 ( 599 PWs) bands (ev): -9.1511 -9.1509 -8.6117 -8.6115 2.0132 2.0144 4.6294 4.6294 5.7191 5.7217 12.5623 12.5648 14.1881 14.1881 16.0473 16.0479 18.7497 18.7507 20.6456 20.6457 20.7998 20.8016 k = 0.4060 0.4527 0.1866 ( 603 PWs) bands (ev): -9.1285 -9.1284 -8.5617 -8.5616 1.8638 1.8649 4.6566 4.6566 5.6841 5.6868 12.4373 12.4398 14.1690 14.1690 16.1183 16.1188 18.8285 18.8295 20.6373 20.6373 20.8237 20.8251 k = 0.4021 0.4594 0.1944 ( 607 PWs) bands (ev): -9.1058 -9.1056 -8.5097 -8.5096 1.7140 1.7151 4.6846 4.6846 5.6474 5.6501 12.3103 12.3129 14.1490 14.1490 16.1878 16.1883 18.9044 18.9053 20.6292 20.6292 20.8505 20.8515 k = 0.3982 0.4661 0.2022 ( 607 PWs) bands (ev): -9.0828 -9.0827 -8.4555 -8.4554 1.5644 1.5655 4.7136 4.7136 5.6091 5.6118 12.1820 12.1846 14.1277 14.1277 16.2561 16.2565 18.9769 18.9777 20.6212 20.6213 20.8804 20.8810 k = 0.3943 0.4728 0.2100 ( 607 PWs) bands (ev): -9.0597 -9.0596 -8.3992 -8.3991 1.4153 1.4163 4.7433 4.7433 5.5691 5.5718 12.0523 12.0550 14.1051 14.1051 16.3232 16.3236 19.0456 19.0463 20.6136 20.6136 20.9133 20.9134 k = 0.3904 0.4795 0.2177 ( 607 PWs) bands (ev): -9.0366 -9.0365 -8.3408 -8.3406 1.2668 1.2679 4.7738 4.7738 5.5275 5.5303 11.9215 11.9242 14.0813 14.0813 16.3891 16.3894 19.1102 19.1107 20.6062 20.6062 20.9485 20.9490 k = 0.3864 0.4863 0.2255 ( 603 PWs) bands (ev): -9.0136 -9.0135 -8.2803 -8.2801 1.1194 1.1204 4.8051 4.8051 5.4844 5.4872 11.7897 11.7924 14.0561 14.0561 16.4541 16.4544 19.1706 19.1709 20.5994 20.5994 20.9863 20.9872 k = 0.3825 0.4930 0.2333 ( 603 PWs) bands (ev): -8.9909 -8.9908 -8.2177 -8.2175 0.9732 0.9743 4.8371 4.8371 5.4397 5.4426 11.6572 11.6599 14.0295 14.0295 16.5181 16.5183 19.2266 19.2267 20.5929 20.5929 21.0264 21.0278 k = 0.3786 0.4997 0.2411 ( 603 PWs) bands (ev): -8.9684 -8.9683 -8.1530 -8.1529 0.8286 0.8297 4.8696 4.8696 5.3936 5.3965 11.5241 11.5268 14.0016 14.0016 16.5814 16.5815 19.2783 19.2785 20.5869 20.5869 21.0686 21.0706 k = 0.3747 0.5064 0.2489 ( 607 PWs) bands (ev): -8.9465 -8.9464 -8.0862 -8.0861 0.6859 0.6869 4.9027 4.9028 5.3460 5.3489 11.3904 11.3933 13.9719 13.9719 16.6439 16.6440 19.3258 19.3262 20.5814 20.5814 21.1128 21.1152 k = 0.3708 0.5131 0.2566 ( 607 PWs) bands (ev): -8.9251 -8.9250 -8.0174 -8.0173 0.5452 0.5463 4.9365 4.9365 5.2971 5.3000 11.2567 11.2596 13.9411 13.9411 16.7058 16.7058 19.3695 19.3702 20.5767 20.5767 21.1587 21.1616 k = 0.3669 0.5198 0.2644 ( 607 PWs) bands (ev): -8.9044 -8.9043 -7.9466 -7.9465 0.4069 0.4079 4.9707 4.9707 5.2469 5.2498 11.1230 11.1259 13.9089 13.9089 16.7671 16.7672 19.4097 19.4106 20.5726 20.5727 21.2062 21.2095 k = 0.3629 0.5266 0.2722 ( 607 PWs) bands (ev): -8.8845 -8.8844 -7.8737 -7.8736 0.2712 0.2722 5.0054 5.0054 5.1954 5.1984 10.9895 10.9924 13.8752 13.8752 16.8280 16.8280 19.4466 19.4478 20.5694 20.5694 21.2550 21.2587 k = 0.3590 0.5333 0.2800 ( 607 PWs) bands (ev): -8.8656 -8.8656 -7.7988 -7.7987 0.1383 0.1393 5.0404 5.0405 5.1426 5.1457 10.8562 10.8591 13.8400 13.8400 16.8884 16.8884 19.4805 19.4820 20.5670 20.5671 21.3049 21.3091 k = 0.3551 0.5400 0.2877 ( 607 PWs) bands (ev): -8.8479 -8.8478 -7.7219 -7.7218 0.0084 0.0095 5.0750 5.0759 5.0888 5.0927 10.7233 10.7263 13.8034 13.8034 16.9484 16.9485 19.5118 19.5135 20.5656 20.5656 21.3558 21.3604 k = 0.3512 0.5467 0.2955 ( 607 PWs) bands (ev): -8.8314 -8.8314 -7.6430 -7.6429 -0.1181 -0.1171 5.0337 5.0365 5.1118 5.1120 10.5911 10.5941 13.7653 13.7653 17.0080 17.0081 19.5407 19.5426 20.5652 20.5652 21.4077 21.4126 k = 0.3473 0.5534 0.3033 ( 609 PWs) bands (ev): -8.8164 -8.8164 -7.5622 -7.5620 -0.2412 -0.2401 4.9776 4.9805 5.1478 5.1479 10.4595 10.4624 13.7258 13.7258 17.0673 17.0674 19.5673 19.5695 20.5658 20.5658 21.4603 21.4654 k = 0.3434 0.5602 0.3111 ( 609 PWs) bands (ev): -8.8030 -8.8030 -7.4794 -7.4792 -0.3605 -0.3595 4.9206 4.9235 5.1841 5.1841 10.3288 10.3318 13.6848 13.6848 17.1262 17.1264 19.5921 19.5945 20.5675 20.5676 21.5136 21.5191 k = 0.3395 0.5669 0.3188 ( 605 PWs) bands (ev): -8.7913 -8.7913 -7.3946 -7.3944 -0.4759 -0.4748 4.8626 4.8656 5.2205 5.2206 10.1993 10.2023 13.6425 13.6425 17.1848 17.1850 19.6152 19.6178 20.5705 20.5706 21.5678 21.5735 k = 0.3355 0.5736 0.3266 ( 601 PWs) bands (ev): -8.7816 -8.7816 -7.3079 -7.3078 -0.5872 -0.5861 4.8039 4.8069 5.2570 5.2570 10.0710 10.0740 13.5987 13.5987 17.2430 17.2433 19.6368 19.6396 20.5747 20.5748 21.6226 21.6285 k = 0.3316 0.5803 0.3344 ( 601 PWs) bands (ev): -8.7739 -8.7739 -7.2193 -7.2192 -0.6941 -0.6931 4.7442 4.7473 5.2935 5.2935 9.9437 9.9468 13.5535 13.5535 17.3008 17.3011 19.6570 19.6600 20.5802 20.5802 21.6779 21.6840 k = 0.3277 0.5870 0.3422 ( 605 PWs) bands (ev): -8.7685 -8.7685 -7.1289 -7.1288 -0.7966 -0.7956 4.6839 4.6870 5.3299 5.3300 9.8178 9.8208 13.5069 13.5069 17.3582 17.3585 19.6759 19.6790 20.5870 20.5871 21.7335 21.7398 k = 0.3238 0.5938 0.3499 ( 605 PWs) bands (ev): -8.7654 -8.7654 -7.0366 -7.0365 -0.8944 -0.8934 4.6229 4.6260 5.3663 5.3663 9.6934 9.6965 13.4590 13.4590 17.4150 17.4153 19.6937 19.6970 20.5953 20.5953 21.7899 21.7964 k = 0.3199 0.6005 0.3577 ( 607 PWs) bands (ev): -8.7649 -8.7649 -6.9425 -6.9424 -0.9874 -0.9863 4.5613 4.5644 5.4025 5.4025 9.5707 9.5738 13.4098 13.4098 17.4713 17.4716 19.7105 19.7140 20.6050 20.6050 21.8468 21.8535 k = 0.3160 0.6072 0.3655 ( 611 PWs) bands (ev): -8.7670 -8.7670 -6.8466 -6.8465 -1.0755 -1.0744 4.4990 4.5022 5.4385 5.4385 9.4497 9.4528 13.3591 13.3591 17.5269 17.5273 19.7264 19.7301 20.6162 20.6162 21.9043 21.9111 k = 0.3120 0.6139 0.3733 ( 611 PWs) bands (ev): -8.7719 -8.7719 -6.7489 -6.7487 -1.1584 -1.1573 4.4365 4.4397 5.4742 5.4743 9.3307 9.3337 13.3075 13.3075 17.5818 17.5822 19.7416 19.7455 20.6290 20.6290 21.9623 21.9693 k = 0.3081 0.6206 0.3811 ( 611 PWs) bands (ev): -8.7797 -8.7797 -6.6494 -6.6493 -1.2361 -1.2350 4.3736 4.3768 5.5097 5.5097 9.2136 9.2167 13.2548 13.2548 17.6359 17.6362 19.7562 19.7602 20.6433 20.6434 22.0209 22.0280 k = 0.3042 0.6273 0.3888 ( 611 PWs) bands (ev): -8.7905 -8.7905 -6.5482 -6.5481 -1.3085 -1.3074 4.3104 4.3136 5.5447 5.5447 9.0986 9.1017 13.2009 13.2009 17.6889 17.6893 19.7702 19.7744 20.6594 20.6594 22.0800 22.0872 k = 0.3003 0.6341 0.3966 ( 611 PWs) bands (ev): -8.8044 -8.8044 -6.4454 -6.4453 -1.3756 -1.3745 4.2470 4.2502 5.5793 5.5793 8.9859 8.9890 13.1461 13.1461 17.7409 17.7412 19.7839 19.7882 20.6771 20.6771 22.1396 22.1469 k = 0.2964 0.6408 0.4044 ( 611 PWs) bands (ev): -8.8214 -8.8214 -6.3409 -6.3407 -1.4373 -1.4361 4.1834 4.1867 5.6133 5.6133 8.8755 8.8785 13.0903 13.0903 17.7916 17.7919 19.7972 19.8017 20.6965 20.6965 22.1997 22.2071 k = 0.2925 0.6475 0.4122 ( 611 PWs) bands (ev): -8.8417 -8.8417 -6.2347 -6.2346 -1.4935 -1.4924 4.1198 4.1231 5.6468 5.6468 8.7675 8.7705 13.0336 13.0336 17.8408 17.8411 19.8104 19.8150 20.7176 20.7176 22.2602 22.2677 k = 0.2925 0.6475 0.4122 ( 611 PWs) bands (ev): -8.8417 -8.8417 -6.2347 -6.2346 -1.4935 -1.4924 4.1198 4.1231 5.6468 5.6468 8.7675 8.7705 13.0336 13.0336 17.8408 17.8411 19.8104 19.8150 20.7176 20.7176 22.2602 22.2677 k = 0.2824 0.6450 0.4151 ( 611 PWs) bands (ev): -8.8513 -8.8512 -6.1931 -6.1930 -1.5116 -1.5105 4.0918 4.0951 5.6595 5.6595 8.7304 8.7334 13.0111 13.0111 17.8589 17.8592 19.8087 19.8133 20.7269 20.7269 22.2904 22.2979 k = 0.2723 0.6425 0.4180 ( 611 PWs) bands (ev): -8.8634 -8.8633 -6.1486 -6.1485 -1.5257 -1.5245 4.0553 4.0586 5.6727 5.6727 8.6991 8.7021 12.9867 12.9867 17.8769 17.8772 19.7941 19.7987 20.7382 20.7382 22.3350 22.3424 k = 0.2622 0.6400 0.4209 ( 611 PWs) bands (ev): -8.8776 -8.8775 -6.1019 -6.1018 -1.5356 -1.5345 4.0105 4.0137 5.6863 5.6863 8.6738 8.6768 12.9605 12.9605 17.8948 17.8951 19.7676 19.7720 20.7513 20.7513 22.3926 22.3998 k = 0.2521 0.6375 0.4238 ( 609 PWs) bands (ev): -8.8935 -8.8935 -6.0535 -6.0533 -1.5413 -1.5401 3.9575 3.9606 5.7003 5.7003 8.6545 8.6574 12.9329 12.9329 17.9126 17.9129 19.7305 19.7347 20.7663 20.7663 22.4616 22.4685 k = 0.2420 0.6349 0.4267 ( 609 PWs) bands (ev): -8.9109 -8.9108 -6.0039 -6.0038 -1.5426 -1.5415 3.8966 3.8997 5.7145 5.7145 8.6410 8.6439 12.9039 12.9039 17.9301 17.9305 19.6844 19.6884 20.7824 20.7824 22.5400 22.5466 k = 0.2320 0.6324 0.4296 ( 609 PWs) bands (ev): -8.9293 -8.9292 -5.9537 -5.9536 -1.5395 -1.5384 3.8283 3.8314 5.7290 5.7290 8.6332 8.6360 12.8737 12.8737 17.9475 17.9479 19.6309 19.6346 20.7998 20.7998 22.6258 22.6321 k = 0.2219 0.6299 0.4325 ( 613 PWs) bands (ev): -8.9485 -8.9484 -5.9035 -5.9034 -1.5320 -1.5308 3.7532 3.7561 5.7437 5.7437 8.6308 8.6335 12.8426 12.8426 17.9647 17.9651 19.5715 19.5749 20.8180 20.8180 22.7173 22.7232 k = 0.2118 0.6274 0.4354 ( 616 PWs) bands (ev): -8.9681 -8.9681 -5.8536 -5.8535 -1.5199 -1.5188 3.6716 3.6745 5.7584 5.7584 8.6332 8.6359 12.8110 12.8110 17.9816 17.9820 19.5074 19.5105 20.8372 20.8372 22.8124 22.8180 k = 0.2017 0.6249 0.4383 ( 616 PWs) bands (ev): -8.9880 -8.9880 -5.8044 -5.8043 -1.5033 -1.5021 3.5845 3.5873 5.7732 5.7732 8.6402 8.6427 12.7791 12.7791 17.9983 17.9987 19.4403 19.4431 20.8571 20.8571 22.9099 22.9151 k = 0.1916 0.6224 0.4412 ( 609 PWs) bands (ev): -9.0080 -9.0079 -5.7564 -5.7562 -1.4821 -1.4810 3.4926 3.4954 5.7879 5.7880 8.6513 8.6537 12.7472 12.7472 18.0147 18.0151 19.3712 19.3738 20.8775 20.8775 23.0084 23.0132 k = 0.1815 0.6199 0.4441 ( 609 PWs) bands (ev): -9.0277 -9.0277 -5.7098 -5.7097 -1.4567 -1.4555 3.3965 3.3991 5.8025 5.8025 8.6657 8.6680 12.7153 12.7153 18.0306 18.0311 19.3009 19.3032 20.8981 20.8981 23.1062 23.1106 k = 0.1714 0.6174 0.4471 ( 611 PWs) bands (ev): -9.0472 -9.0471 -5.6651 -5.6649 -1.4270 -1.4258 3.2970 3.2995 5.8168 5.8168 8.6830 8.6852 12.6836 12.6836 18.0462 18.0467 19.2303 19.2323 20.9188 20.9188 23.2024 23.2064 k = 0.1614 0.6148 0.4500 ( 611 PWs) bands (ev): -9.0661 -9.0661 -5.6223 -5.6222 -1.3932 -1.3920 3.1948 3.1973 5.8309 5.8309 8.7027 8.7047 12.6525 12.6525 18.0615 18.0620 19.1602 19.1620 20.9393 20.9393 23.2959 23.2996 k = 0.1513 0.6123 0.4529 ( 610 PWs) bands (ev): -9.0845 -9.0844 -5.5817 -5.5816 -1.3556 -1.3545 3.0910 3.0933 5.8446 5.8446 8.7243 8.7262 12.6222 12.6222 18.0762 18.0768 19.0913 19.0928 20.9596 20.9596 23.3861 23.3894 k = 0.1412 0.6098 0.4558 ( 612 PWs) bands (ev): -9.1021 -9.1020 -5.5435 -5.5434 -1.3147 -1.3136 2.9861 2.9883 5.8579 5.8579 8.7470 8.7488 12.5927 12.5927 18.0906 18.0912 19.0240 19.0253 20.9794 20.9794 23.4718 23.4747 k = 0.1311 0.6073 0.4587 ( 612 PWs) bands (ev): -9.1188 -9.1188 -5.5079 -5.5078 -1.2707 -1.2696 2.8812 2.8833 5.8707 5.8707 8.7705 8.7722 12.5645 12.5645 18.1044 18.1050 18.9590 18.9601 20.9987 20.9987 23.5529 23.5555 k = 0.1210 0.6048 0.4616 ( 612 PWs) bands (ev): -9.1347 -9.1346 -5.4748 -5.4747 -1.2242 -1.2231 2.7771 2.7791 5.8828 5.8828 8.7944 8.7959 12.5375 12.5375 18.1178 18.1184 18.8967 18.8976 21.0171 21.0171 23.6286 23.6309 k = 0.1109 0.6023 0.4645 ( 612 PWs) bands (ev): -9.1495 -9.1494 -5.4444 -5.4443 -1.1759 -1.1748 2.6749 2.6767 5.8943 5.8943 8.8181 8.8195 12.5120 12.5120 18.1306 18.1313 18.8374 18.8381 21.0347 21.0347 23.6986 23.7006 k = 0.1008 0.5998 0.4674 ( 608 PWs) bands (ev): -9.1632 -9.1632 -5.4167 -5.4166 -1.1262 -1.1252 2.5754 2.5772 5.9051 5.9051 8.8413 8.8425 12.4882 12.4882 18.1430 18.1437 18.7816 18.7822 21.0512 21.0512 23.7627 23.7644 k = 0.0908 0.5973 0.4703 ( 608 PWs) bands (ev): -9.1758 -9.1757 -5.3918 -5.3917 -1.0763 -1.0753 2.4798 2.4814 5.9151 5.9151 8.8634 8.8645 12.4662 12.4662 18.1548 18.1555 18.7296 18.7299 21.0665 21.0665 23.8205 23.8220 k = 0.0807 0.5947 0.4732 ( 608 PWs) bands (ev): -9.1872 -9.1871 -5.3696 -5.3695 -1.0270 -1.0261 2.3891 2.3906 5.9242 5.9242 8.8842 8.8852 12.4461 12.4461 18.1660 18.1668 18.6815 18.6817 21.0806 21.0806 23.8720 23.8733 k = 0.0706 0.5922 0.4761 ( 607 PWs) bands (ev): -9.1973 -9.1973 -5.3500 -5.3500 -0.9793 -0.9784 2.3047 2.3061 5.9323 5.9323 8.9034 8.9043 12.4281 12.4281 18.1766 18.1774 18.6379 18.6379 21.0932 21.0932 23.9172 23.9183 k = 0.0605 0.5897 0.4790 ( 605 PWs) bands (ev): -9.2062 -9.2061 -5.3332 -5.3332 -0.9343 -0.9335 2.2277 2.2289 5.9396 5.9396 8.9206 8.9214 12.4123 12.4123 18.1867 18.1874 18.5988 18.5989 21.1044 21.1044 23.9561 23.9570 k = 0.0504 0.5872 0.4819 ( 605 PWs) bands (ev): -9.2137 -9.2137 -5.3191 -5.3190 -0.8933 -0.8926 2.1595 2.1605 5.9457 5.9457 8.9356 8.9363 12.3987 12.3987 18.1959 18.1966 18.5647 18.5648 21.1140 21.1140 23.9888 23.9895 k = 0.0403 0.5847 0.4849 ( 605 PWs) bands (ev): -9.2199 -9.2199 -5.3075 -5.3075 -0.8575 -0.8569 2.1014 2.1022 5.9508 5.9508 8.9482 8.9487 12.3875 12.3875 18.2041 18.2048 18.5358 18.5359 21.1219 21.1219 24.0154 24.0159 k = 0.0303 0.5822 0.4878 ( 604 PWs) bands (ev): -9.2248 -9.2248 -5.2986 -5.2986 -0.8281 -0.8276 2.0547 2.0553 5.9548 5.9548 8.9582 8.9586 12.3787 12.3787 18.2112 18.2118 18.5126 18.5128 21.1282 21.1282 24.0360 24.0363 k = 0.0202 0.5797 0.4907 ( 604 PWs) bands (ev): -9.2283 -9.2283 -5.2922 -5.2922 -0.8061 -0.8058 2.0204 2.0208 5.9577 5.9577 8.9655 8.9657 12.3723 12.3723 18.2167 18.2171 18.4956 18.4957 21.1327 21.1327 24.0506 24.0508 k = 0.0101 0.5772 0.4936 ( 600 PWs) bands (ev): -9.2303 -9.2303 -5.2884 -5.2884 -0.7926 -0.7924 1.9995 1.9997 5.9595 5.9595 8.9699 8.9701 12.3686 12.3686 18.2203 18.2205 18.4851 18.4852 21.1354 21.1354 24.0594 24.0595 k = 0.0000 0.5747 0.4965 ( 600 PWs) bands (ev): -9.2310 -9.2310 -5.2871 -5.2871 -0.7879 -0.7879 1.9925 1.9925 5.9601 5.9601 8.9714 8.9714 12.3673 12.3673 18.2216 18.2216 18.4816 18.4816 21.1363 21.1363 24.0623 24.0623 k = 0.0000 0.5747 0.4965 ( 600 PWs) bands (ev): -9.2310 -9.2310 -5.2871 -5.2871 -0.7879 -0.7879 1.9925 1.9925 5.9601 5.9601 8.9714 8.9714 12.3673 12.3673 18.2216 18.2216 18.4816 18.4816 21.1363 21.1363 24.0623 24.0623 k = 0.0039 0.5680 0.5042 ( 602 PWs) bands (ev): -9.2302 -9.2302 -5.2863 -5.2863 -0.7875 -0.7874 1.9927 1.9927 5.9554 5.9554 8.9711 8.9712 12.3636 12.3636 18.2270 18.2272 18.4820 18.4821 21.1346 21.1350 24.0620 24.0623 k = 0.0078 0.5612 0.5120 ( 604 PWs) bands (ev): -9.2278 -9.2278 -5.2839 -5.2838 -0.7860 -0.7860 1.9934 1.9935 5.9411 5.9413 8.9702 8.9705 12.3525 12.3526 18.2431 18.2434 18.4835 18.4838 21.1298 21.1308 24.0612 24.0619 k = 0.0117 0.5545 0.5198 ( 604 PWs) bands (ev): -9.2237 -9.2237 -5.2798 -5.2797 -0.7836 -0.7836 1.9945 1.9947 5.9177 5.9180 8.9688 8.9692 12.3341 12.3344 18.2688 18.2693 18.4870 18.4875 21.1222 21.1236 24.0601 24.0610 k = 0.0156 0.5478 0.5275 ( 604 PWs) bands (ev): -9.2180 -9.2180 -5.2741 -5.2739 -0.7802 -0.7802 1.9961 1.9964 5.8852 5.8855 8.9668 8.9674 12.3087 12.3091 18.3019 18.3026 18.4945 18.4953 21.1118 21.1137 24.0583 24.0596 k = 0.0195 0.5411 0.5353 ( 604 PWs) bands (ev): -9.2106 -9.2106 -5.2667 -5.2666 -0.7759 -0.7758 1.9982 1.9985 5.8438 5.8442 8.9643 8.9650 12.2763 12.2768 18.3373 18.3384 18.5105 18.5116 21.0987 21.1010 24.0558 24.0574 k = 0.0234 0.5344 0.5430 ( 604 PWs) bands (ev): -9.2017 -9.2016 -5.2577 -5.2575 -0.7706 -0.7706 2.0007 2.0011 5.7938 5.7943 8.9613 8.9621 12.2372 12.2377 18.3670 18.3686 18.5428 18.5442 21.0831 21.0858 24.0524 24.0543 k = 0.0273 0.5277 0.5508 ( 606 PWs) bands (ev): -9.1911 -9.1911 -5.2471 -5.2469 -0.7645 -0.7644 2.0036 2.0040 5.7355 5.7361 8.9576 8.9586 12.1916 12.1922 18.3846 18.3865 18.5973 18.5988 21.0651 21.0683 24.0478 24.0500 k = 0.0312 0.5210 0.5585 ( 606 PWs) bands (ev): -9.1789 -9.1789 -5.2348 -5.2346 -0.7575 -0.7574 2.0069 2.0074 5.6694 5.6701 8.9534 8.9545 12.1398 12.1405 18.3910 18.3930 18.6727 18.6741 21.0451 21.0487 24.0418 24.0443 k = 0.0352 0.5143 0.5663 ( 606 PWs) bands (ev): -9.1652 -9.1651 -5.2210 -5.2207 -0.7496 -0.7495 2.0106 2.0111 5.5960 5.5967 8.9486 8.9499 12.0822 12.0830 18.3900 18.3920 18.7642 18.7656 21.0233 21.0273 24.0342 24.0369 k = 0.0391 0.5076 0.5741 ( 608 PWs) bands (ev): -9.1498 -9.1498 -5.2055 -5.2052 -0.7409 -0.7408 2.0146 2.0151 5.5155 5.5163 8.9432 8.9446 12.0191 12.0199 18.3839 18.3861 18.8687 18.8700 20.9999 21.0043 24.0245 24.0275 k = 0.0430 0.5009 0.5818 ( 608 PWs) bands (ev): -9.1329 -9.1328 -5.1885 -5.1882 -0.7315 -0.7313 2.0189 2.0195 5.4285 5.4294 8.9372 8.9387 11.9508 11.9517 18.3741 18.3763 18.9842 18.9855 20.9754 20.9801 24.0127 24.0160 k = 0.0469 0.4942 0.5896 ( 610 PWs) bands (ev): -9.1145 -9.1144 -5.1698 -5.1695 -0.7213 -0.7212 2.0234 2.0241 5.3355 5.3364 8.9304 8.9320 11.8778 11.8787 18.3610 18.3633 19.1094 19.1107 20.9499 20.9549 23.9985 24.0020 k = 0.0508 0.4875 0.5973 ( 612 PWs) bands (ev): -9.0945 -9.0943 -5.1496 -5.1493 -0.7105 -0.7103 2.0282 2.0289 5.2370 5.2380 8.9230 8.9248 11.8004 11.8014 18.3447 18.3471 19.2434 19.2447 20.9239 20.9292 23.9816 23.9853 k = 0.0547 0.4808 0.6051 ( 610 PWs) bands (ev): -9.0729 -9.0728 -5.1278 -5.1274 -0.6990 -0.6989 2.0332 2.0340 5.1333 5.1344 8.9150 8.9169 11.7192 11.7201 18.3252 18.3278 19.3855 19.3868 20.8981 20.9038 23.9621 23.9660 k = 0.0586 0.4741 0.6128 ( 608 PWs) bands (ev): -9.0499 -9.0498 -5.1045 -5.1041 -0.6871 -0.6869 2.0383 2.0392 5.0253 5.0264 8.9063 8.9083 11.6344 11.6354 18.3026 18.3052 19.5347 19.5360 20.8721 20.8780 23.9397 23.9438 k = 0.0625 0.4674 0.6206 ( 606 PWs) bands (ev): -9.0254 -9.0253 -5.0796 -5.0792 -0.6746 -0.6744 2.0435 2.0444 4.9133 4.9145 8.8967 8.8989 11.5464 11.5474 18.2765 18.2791 19.6905 19.6917 20.8467 20.8528 23.9144 23.9187 k = 0.0664 0.4607 0.6284 ( 606 PWs) bands (ev): -8.9995 -8.9993 -5.0533 -5.0528 -0.6618 -0.6616 2.0487 2.0497 4.7977 4.7990 8.8864 8.8887 11.4556 11.4566 18.2468 18.2496 19.8520 19.8532 20.8221 20.8284 23.8862 23.8906 k = 0.0703 0.4540 0.6361 ( 608 PWs) bands (ev): -8.9721 -8.9720 -5.0254 -5.0249 -0.6487 -0.6484 2.0539 2.0549 4.6791 4.6804 8.8752 8.8777 11.3623 11.3633 18.2134 18.2163 20.0186 20.0197 20.7988 20.8052 23.8552 23.8598 k = 0.0742 0.4473 0.6439 ( 610 PWs) bands (ev): -8.9434 -8.9432 -4.9960 -4.9955 -0.6354 -0.6351 2.0590 2.0601 4.5579 4.5593 8.8632 8.8658 11.2672 11.2682 18.1762 18.1791 20.1893 20.1903 20.7775 20.7838 23.8216 23.8263 k = 0.0781 0.4406 0.6516 ( 608 PWs) bands (ev): -8.9132 -8.9131 -4.9652 -4.9646 -0.6220 -0.6217 2.0639 2.0651 4.4347 4.4361 8.8503 8.8530 11.1707 11.1718 18.1351 18.1380 20.3626 20.3636 20.7596 20.7657 23.7856 23.7904 k = 0.0820 0.4339 0.6594 ( 608 PWs) bands (ev): -8.8818 -8.8816 -4.9329 -4.9323 -0.6087 -0.6084 2.0686 2.0699 4.3099 4.3114 8.8363 8.8392 11.0732 11.0742 18.0900 18.0929 20.5331 20.5353 20.7496 20.7546 23.7475 23.7524 k = 0.0859 0.4272 0.6671 ( 608 PWs) bands (ev): -8.8490 -8.8489 -4.8992 -4.8986 -0.5956 -0.5952 2.0730 2.0743 4.1840 4.1856 8.8213 8.8243 10.9749 10.9759 18.0408 18.0438 20.6608 20.6697 20.7841 20.7888 23.7076 23.7127 k = 0.0898 0.4205 0.6749 ( 608 PWs) bands (ev): -8.8150 -8.8149 -4.8641 -4.8634 -0.5828 -0.5824 2.0771 2.0784 4.0574 4.0591 8.8052 8.8084 10.8765 10.8774 17.9876 17.9905 20.6813 20.6910 20.9332 20.9376 23.6664 23.6715 k = 0.0938 0.4138 0.6827 ( 612 PWs) bands (ev): -8.7798 -8.7796 -4.8276 -4.8269 -0.5706 -0.5702 2.0806 2.0820 3.9306 3.9323 8.7878 8.7911 10.7781 10.7790 17.9303 17.9333 20.6754 20.6846 21.1133 21.1171 23.6243 23.6294 k = 0.0977 0.4071 0.6904 ( 612 PWs) bands (ev): -8.7435 -8.7433 -4.7897 -4.7890 -0.5591 -0.5586 2.0836 2.0851 3.8041 3.8059 8.7690 8.7725 10.6805 10.6814 17.8692 17.8721 20.6674 20.6764 21.2985 21.3019 23.5818 23.5869 k = 0.1016 0.4004 0.6982 ( 610 PWs) bands (ev): -8.7060 -8.7057 -4.7505 -4.7497 -0.5484 -0.5479 2.0860 2.0876 3.6784 3.6803 8.7489 8.7526 10.5839 10.5848 17.8043 17.8072 20.6604 20.6692 21.4850 21.4884 23.5396 23.5448 k = 0.1055 0.3937 0.7059 ( 612 PWs) bands (ev): -8.6674 -8.6672 -4.7099 -4.7092 -0.5390 -0.5384 2.0877 2.0892 3.5540 3.5560 8.7270 8.7309 10.4887 10.4896 17.7357 17.7386 20.6550 20.6637 21.6712 21.6747 23.4980 23.5032 k = 0.1094 0.3870 0.7137 ( 612 PWs) bands (ev): -8.6278 -8.6276 -4.6681 -4.6673 -0.5309 -0.5304 2.0885 2.0901 3.4313 3.4334 8.7035 8.7075 10.3956 10.3964 17.6637 17.6666 20.6517 20.6604 21.8561 21.8597 23.4579 23.4630 k = 0.1133 0.3803 0.7215 ( 612 PWs) bands (ev): -8.5873 -8.5870 -4.6250 -4.6242 -0.5246 -0.5240 2.0883 2.0900 3.3109 3.3132 8.6779 8.6822 10.3048 10.3057 17.5886 17.5914 20.6505 20.6592 22.0383 22.0421 23.4202 23.4253 k = 0.1172 0.3736 0.7292 ( 612 PWs) bands (ev): -8.5459 -8.5456 -4.5807 -4.5798 -0.5203 -0.5196 2.0870 2.0888 3.1934 3.1958 8.6503 8.6548 10.2169 10.2178 17.5104 17.5132 20.6513 20.6600 22.2161 22.2202 23.3863 23.3912 k = 0.1211 0.3669 0.7370 ( 610 PWs) bands (ev): -8.5036 -8.5033 -4.5351 -4.5342 -0.5182 -0.5175 2.0845 2.0863 3.0793 3.0819 8.6205 8.6252 10.1324 10.1333 17.4296 17.4323 20.6543 20.6629 22.3872 22.3917 23.3579 23.3626 k = 0.1250 0.3602 0.7447 ( 610 PWs) bands (ev): -8.4606 -8.4603 -4.4884 -4.4874 -0.5188 -0.5180 2.0805 2.0823 2.9692 2.9721 8.5881 8.5930 10.0515 10.0526 17.3464 17.3491 20.6591 20.6677 22.5479 22.5529 23.3381 23.3425 k = 0.1289 0.3535 0.7525 ( 610 PWs) bands (ev): -8.4169 -8.4167 -4.4405 -4.4395 -0.5225 -0.5216 2.0747 2.0767 2.8639 2.8670 8.5532 8.5583 9.9748 9.9759 17.2611 17.2637 20.6658 20.6743 22.6919 22.6978 23.3328 23.3368 k = 0.1328 0.3468 0.7602 ( 610 PWs) bands (ev): -8.3727 -8.3724 -4.3915 -4.3904 -0.5295 -0.5286 2.0671 2.0691 2.7640 2.7674 8.5155 8.5208 9.9026 9.9038 17.1740 17.1766 20.6741 20.6826 22.8092 22.8162 23.3509 23.3547 k = 0.1367 0.3401 0.7680 ( 610 PWs) bands (ev): -8.3279 -8.3276 -4.3413 -4.3402 -0.5404 -0.5393 2.0571 2.0593 2.6704 2.6740 8.4751 8.4806 9.8352 9.8365 17.0854 17.0880 20.6841 20.6926 22.8892 22.8972 23.4026 23.4064 k = 0.1406 0.3334 0.7758 ( 610 PWs) bands (ev): -8.2827 -8.2824 -4.2901 -4.2889 -0.5554 -0.5542 2.0445 2.0469 2.5837 2.5877 8.4319 8.4376 9.7728 9.7742 16.9957 16.9983 20.6957 20.7041 22.9307 22.9391 23.4884 23.4924 k = 0.1445 0.3267 0.7835 ( 612 PWs) bands (ev): -8.2372 -8.2369 -4.2377 -4.2366 -0.5749 -0.5737 2.0289 2.0314 2.5048 2.5093 8.3858 8.3917 9.7155 9.7170 16.9052 16.9077 20.7087 20.7171 22.9447 22.9531 23.5960 23.6003 k = 0.1484 0.3200 0.7913 ( 610 PWs) bands (ev): -8.1915 -8.1911 -4.1844 -4.1831 -0.5991 -0.5978 2.0100 2.0127 2.4345 2.4393 8.3374 8.3434 9.6636 9.6652 16.8142 16.8167 20.7231 20.7314 22.9437 22.9521 23.7121 23.7167 k = 0.1523 0.3133 0.7990 ( 608 PWs) bands (ev): -8.1456 -8.1453 -4.1300 -4.1287 -0.6285 -0.6271 1.9877 1.9906 2.3731 2.3782 8.2866 8.2927 9.6167 9.6184 16.7231 16.7255 20.7388 20.7470 22.9354 22.9438 23.8275 23.8325 k = 0.1562 0.3066 0.8068 ( 604 PWs) bands (ev): -8.0998 -8.0995 -4.0746 -4.0733 -0.6631 -0.6616 1.9623 1.9653 2.3206 2.3260 8.2339 8.2401 9.5749 9.5766 16.6321 16.6345 20.7557 20.7639 22.9238 22.9321 23.9369 23.9425 k = 0.1602 0.2999 0.8145 ( 608 PWs) bands (ev): -8.0541 -8.0538 -4.0183 -4.0169 -0.7031 -0.7016 1.9345 1.9377 2.2763 2.2819 8.1795 8.1858 9.5377 9.5394 16.5416 16.5440 20.7735 20.7816 22.9110 22.9193 24.0363 24.0424 k = 0.1641 0.2932 0.8223 ( 608 PWs) bands (ev): -8.0087 -8.0084 -3.9610 -3.9595 -0.7485 -0.7468 1.9057 1.9088 2.2392 2.2449 8.1239 8.1303 9.5051 9.5069 16.4520 16.4543 20.7924 20.8003 22.8981 22.9064 24.1237 24.1304 k = 0.1680 0.2865 0.8301 ( 608 PWs) bands (ev): -7.9637 -7.9633 -3.9027 -3.9012 -0.7991 -0.7974 1.8771 1.8801 2.2079 2.2136 8.0676 8.0740 9.4767 9.4785 16.3635 16.3658 20.8121 20.8199 22.8858 22.8941 24.1973 24.2046 k = 0.1719 0.2798 0.8378 ( 608 PWs) bands (ev): -7.9192 -7.9189 -3.8435 -3.8420 -0.8549 -0.8531 1.8500 1.8530 2.1810 2.1866 8.0109 8.0174 9.4522 9.4540 16.2764 16.2787 20.8326 20.8403 22.8741 22.8825 24.2559 24.2637 k = 0.1758 0.2730 0.8456 ( 608 PWs) bands (ev): -7.8754 -7.8751 -3.7833 -3.7818 -0.9155 -0.9136 1.8254 1.8283 2.1572 2.1628 7.9544 7.9608 9.4313 9.4331 16.1912 16.1934 20.8539 20.8615 22.8633 22.8717 24.2995 24.3077 k = 0.1797 0.2663 0.8533 ( 608 PWs) bands (ev): -7.8325 -7.8321 -3.7223 -3.7207 -0.9805 -0.9785 1.8039 1.8066 2.1356 2.1412 7.8984 7.9049 9.4135 9.4153 16.1080 16.1102 20.8756 20.8831 22.8533 22.8619 24.3287 24.3370 k = 0.1836 0.2596 0.8611 ( 610 PWs) bands (ev): -7.7905 -7.7901 -3.6603 -3.6587 -1.0496 -1.0476 1.7857 1.7884 2.1157 2.1211 7.8434 7.8498 9.3986 9.4004 16.0272 16.0294 20.8979 20.9052 22.8441 22.8527 24.3450 24.3533 k = 0.1875 0.2529 0.8688 ( 610 PWs) bands (ev): -7.7497 -7.7493 -3.5974 -3.5957 -1.1223 -1.1203 1.7710 1.7737 2.0969 2.1022 7.7897 7.7961 9.3863 9.3880 15.9491 15.9513 20.9205 20.9277 22.8355 22.8443 24.3507 24.3588 k = 0.1914 0.2462 0.8766 ( 612 PWs) bands (ev): -7.7102 -7.7098 -3.5335 -3.5318 -1.1982 -1.1961 1.7598 1.7624 2.0788 2.0841 7.7377 7.7441 9.3763 9.3780 15.8740 15.8762 20.9433 20.9504 22.8274 22.8363 24.3481 24.3560 k = 0.1953 0.2395 0.8844 ( 610 PWs) bands (ev): -7.6722 -7.6718 -3.4687 -3.4670 -1.2767 -1.2746 1.7518 1.7544 2.0614 2.0667 7.6877 7.6941 9.3683 9.3700 15.8022 15.8043 20.9663 20.9731 22.8197 22.8288 24.3396 24.3471 k = 0.1992 0.2328 0.8921 ( 608 PWs) bands (ev): -7.6358 -7.6355 -3.4030 -3.4011 -1.3574 -1.3553 1.7467 1.7493 2.0445 2.0497 7.6400 7.6463 9.3620 9.3637 15.7339 15.7361 20.9891 20.9957 22.8123 22.8215 24.3272 24.3342 k = 0.2031 0.2261 0.8999 ( 608 PWs) bands (ev): -7.6013 -7.6010 -3.3362 -3.3344 -1.4399 -1.4378 1.7443 1.7469 2.0279 2.0331 7.5948 7.6011 9.3572 9.3588 15.6695 15.6716 21.0116 21.0180 22.8050 22.8144 24.3123 24.3187 k = 0.2070 0.2194 0.9076 ( 608 PWs) bands (ev): -7.5688 -7.5685 -3.2685 -3.2666 -1.5239 -1.5217 1.7442 1.7469 2.0117 2.0168 7.5524 7.5587 9.3538 9.3553 15.6091 15.6112 21.0335 21.0397 22.7978 22.8073 24.2962 24.3022 k = 0.2109 0.2127 0.9154 ( 610 PWs) bands (ev): -7.5385 -7.5381 -3.1998 -3.1978 -1.6087 -1.6065 1.7462 1.7489 1.9957 2.0009 7.5130 7.5192 9.3513 9.3528 15.5530 15.5551 21.0548 21.0608 22.7906 22.8003 24.2799 24.2853 k = 0.2148 0.2060 0.9231 ( 610 PWs) bands (ev): -7.5105 -7.5101 -3.1300 -3.1280 -1.6942 -1.6920 1.7500 1.7526 1.9802 1.9854 7.4767 7.4829 9.3497 9.3512 15.5015 15.5036 21.0752 21.0808 22.7835 22.7933 24.2642 24.2691 k = 0.2188 0.1993 0.9309 ( 612 PWs) bands (ev): -7.4849 -7.4846 -3.0591 -3.0571 -1.7800 -1.7778 1.7552 1.7578 1.9651 1.9702 7.4438 7.4500 9.3487 9.3502 15.4548 15.4569 21.0942 21.0996 22.7765 22.7865 24.2495 24.2538 k = 0.2227 0.1926 0.9387 ( 612 PWs) bands (ev): -7.4620 -7.4616 -2.9872 -2.9851 -1.8659 -1.8636 1.7616 1.7642 1.9504 1.9556 7.4145 7.4207 9.3483 9.3498 15.4131 15.4152 21.1119 21.1170 22.7698 22.7799 24.2362 24.2400 k = 0.2266 0.1859 0.9464 ( 612 PWs) bands (ev): -7.4418 -7.4415 -2.9141 -2.9120 -1.9515 -1.9492 1.7689 1.7715 1.9363 1.9415 7.3888 7.3949 9.3483 9.3497 15.3766 15.3786 21.1280 21.1328 22.7635 22.7737 24.2245 24.2278 k = 0.2305 0.1792 0.9542 ( 610 PWs) bands (ev): -7.4246 -7.4242 -2.8399 -2.8378 -2.0367 -2.0344 1.7768 1.7794 1.9228 1.9281 7.3668 7.3730 9.3485 9.3500 15.3454 15.3474 21.1421 21.1466 22.7578 22.7681 24.2146 24.2174 k = 0.2344 0.1725 0.9619 ( 610 PWs) bands (ev): -7.4103 -7.4099 -2.7646 -2.7624 -2.1213 -2.1191 1.7850 1.7875 1.9103 1.9156 7.3488 7.3549 9.3489 9.3503 15.3196 15.3217 21.1540 21.1583 22.7528 22.7632 24.2065 24.2088 k = 0.2383 0.1658 0.9697 ( 612 PWs) bands (ev): -7.3991 -7.3987 -2.6881 -2.6859 -2.2052 -2.2030 1.7930 1.7954 1.8990 1.9045 7.3346 7.3407 9.3492 9.3506 15.2995 15.3015 21.1634 21.1675 22.7486 22.7590 24.2002 24.2020 k = 0.2422 0.1591 0.9775 ( 612 PWs) bands (ev): -7.3910 -7.3906 -2.6105 -2.6083 -2.2882 -2.2859 1.8001 1.8024 1.8896 1.8952 7.3244 7.3306 9.3495 9.3509 15.2850 15.2871 21.1703 21.1742 22.7455 22.7560 24.1958 24.1972 k = 0.2461 0.1524 0.9852 ( 612 PWs) bands (ev): -7.3861 -7.3858 -2.5318 -2.5296 -2.3701 -2.3679 1.8053 1.8074 1.8831 1.8889 7.3183 7.3245 9.3497 9.3511 15.2763 15.2784 21.1745 21.1783 22.7436 22.7541 24.1932 24.1943 k = 0.2500 0.1457 0.9930 ( 612 PWs) bands (ev): -7.3845 -7.3842 -2.4587 -2.4572 -2.4435 -2.4421 1.8073 1.8092 1.8807 1.8865 7.3163 7.3224 9.3498 9.3512 15.2734 15.2755 21.1760 21.1797 22.7429 22.7535 24.1924 24.1933 k = 0.2500 0.1457 0.9930 ( 612 PWs) bands (ev): -7.3845 -7.3842 -2.4587 -2.4572 -2.4435 -2.4421 1.8073 1.8092 1.8807 1.8865 7.3163 7.3224 9.3498 9.3512 15.2734 15.2755 21.1760 21.1797 22.7429 22.7535 24.1924 24.1933 k = 0.2581 0.1504 0.9875 ( 612 PWs) bands (ev): -7.3849 -7.3846 -2.4927 -2.4905 -2.4100 -2.4078 1.8064 1.8084 1.8820 1.8878 7.3129 7.3190 9.3541 9.3555 15.2763 15.2784 21.1653 21.1690 22.7372 22.7477 24.2033 24.2042 k = 0.2661 0.1551 0.9821 ( 612 PWs) bands (ev): -7.3860 -7.3857 -2.5340 -2.5318 -2.3680 -2.3658 1.8035 1.8056 1.8863 1.8920 7.3028 7.3089 9.3670 9.3684 15.2851 15.2871 21.1341 21.1378 22.7199 22.7302 24.2351 24.2362 k = 0.2742 0.1598 0.9766 ( 612 PWs) bands (ev): -7.3878 -7.3875 -2.5767 -2.5744 -2.3244 -2.3221 1.7982 1.8004 1.8941 1.8996 7.2865 7.2925 9.3882 9.3897 15.2995 15.3015 21.0841 21.0878 22.6913 22.7015 24.2861 24.2874 k = 0.2823 0.1645 0.9712 ( 610 PWs) bands (ev): -7.3901 -7.3898 -2.6204 -2.6181 -2.2796 -2.2772 1.7903 1.7926 1.9053 1.9107 7.2647 7.2706 9.4171 9.4186 15.3195 15.3215 21.0176 21.0212 22.6525 22.6625 24.3538 24.3553 k = 0.2903 0.1692 0.9658 ( 610 PWs) bands (ev): -7.3930 -7.3926 -2.6652 -2.6629 -2.2337 -2.2313 1.7800 1.7824 1.9199 1.9251 7.2383 7.2441 9.4531 9.4547 15.3449 15.3470 20.9368 20.9403 22.6044 22.6141 24.4352 24.4370 k = 0.2984 0.1739 0.9603 ( 608 PWs) bands (ev): -7.3962 -7.3958 -2.7110 -2.7087 -2.1870 -2.1846 1.7675 1.7700 1.9376 1.9427 7.2080 7.2137 9.4953 9.4969 15.3758 15.3778 20.8443 20.8476 22.5484 22.5578 24.5278 24.5299 k = 0.3065 0.1786 0.9549 ( 604 PWs) bands (ev): -7.3997 -7.3994 -2.7577 -2.7555 -2.1396 -2.1372 1.7531 1.7556 1.9584 1.9633 7.1748 7.1804 9.5430 9.5447 15.4118 15.4138 20.7423 20.7455 22.4858 22.4949 24.6293 24.6316 k = 0.3145 0.1833 0.9494 ( 607 PWs) bands (ev): -7.4035 -7.4032 -2.8054 -2.8031 -2.0919 -2.0894 1.7367 1.7392 1.9820 1.9868 7.1396 7.1450 9.5951 9.5969 15.4529 15.4549 20.6326 20.6358 22.4178 22.4266 24.7371 24.7397 k = 0.3226 0.1880 0.9440 ( 607 PWs) bands (ev): -7.4075 -7.4072 -2.8540 -2.8517 -2.0438 -2.0414 1.7186 1.7211 2.0084 2.0131 7.1033 7.1085 9.6510 9.6528 15.4989 15.5009 20.5173 20.5203 22.3458 22.3542 24.8498 24.8526 k = 0.3306 0.1927 0.9386 ( 607 PWs) bands (ev): -7.4116 -7.4113 -2.9034 -2.9012 -1.9955 -1.9931 1.6988 1.7013 2.0375 2.0421 7.0666 7.0717 9.7099 9.7117 15.5497 15.5517 20.3976 20.4005 22.2707 22.2788 24.9659 24.9689 k = 0.3387 0.1974 0.9331 ( 609 PWs) bands (ev): -7.4158 -7.4155 -2.9537 -2.9516 -1.9473 -1.9448 1.6774 1.6798 2.0692 2.0737 7.0302 7.0351 9.7710 9.7729 15.6050 15.6070 20.2749 20.2777 22.1936 22.2013 25.0840 25.0872 k = 0.3468 0.2021 0.9277 ( 611 PWs) bands (ev): -7.4201 -7.4198 -3.0049 -3.0027 -1.8992 -1.8967 1.6547 1.6570 2.1034 2.1077 6.9947 6.9994 9.8338 9.8357 15.6647 15.6667 20.1503 20.1530 22.1153 22.1227 25.2029 25.2063 k = 0.3548 0.2068 0.9222 ( 613 PWs) bands (ev): -7.4243 -7.4240 -3.0568 -3.0547 -1.8513 -1.8488 1.6307 1.6329 2.1399 2.1441 6.9606 6.9651 9.8975 9.8995 15.7286 15.7305 20.0248 20.0274 22.0367 22.0438 25.3214 25.3250 k = 0.3629 0.2115 0.9168 ( 613 PWs) bands (ev): -7.4285 -7.4282 -3.1096 -3.1075 -1.8037 -1.8012 1.6056 1.6078 2.1787 2.1827 6.9286 6.9329 9.9617 9.9636 15.7963 15.7983 19.8993 19.9018 21.9586 21.9653 25.4381 25.4419 k = 0.3710 0.2162 0.9114 ( 613 PWs) bands (ev): -7.4327 -7.4324 -3.1631 -3.1610 -1.7565 -1.7540 1.5795 1.5816 2.2194 2.2234 6.8989 6.9030 10.0258 10.0277 15.8677 15.8697 19.7746 19.7770 21.8816 21.8879 25.5512 25.5550 k = 0.3790 0.2209 0.9059 ( 613 PWs) bands (ev): -7.4368 -7.4365 -3.2173 -3.2153 -1.7097 -1.7072 1.5527 1.5547 2.2620 2.2658 6.8720 6.8759 10.0892 10.0912 15.9425 15.9444 19.6513 19.6536 21.8064 21.8124 25.6581 25.6620 k = 0.3871 0.2256 0.9005 ( 613 PWs) bands (ev): -7.4408 -7.4405 -3.2722 -3.2703 -1.6634 -1.6608 1.5254 1.5272 2.3062 2.3099 6.8482 6.8519 10.1516 10.1536 16.0202 16.0221 19.5301 19.5324 21.7336 21.7392 25.7551 25.7590 k = 0.3952 0.2303 0.8950 ( 613 PWs) bands (ev): -7.4447 -7.4445 -3.3278 -3.3259 -1.6176 -1.6150 1.4976 1.4993 2.3518 2.3553 6.8278 6.8312 10.2125 10.2145 16.1004 16.1023 19.4119 19.4140 21.6637 21.6690 25.8380 25.8416 k = 0.4032 0.2350 0.8896 ( 613 PWs) bands (ev): -7.4486 -7.4483 -3.3840 -3.3821 -1.5723 -1.5698 1.4696 1.4712 2.3984 2.4017 6.8110 6.8143 10.2716 10.2735 16.1828 16.1846 19.2971 19.2992 21.5971 21.6021 25.9032 25.9064 k = 0.4113 0.2397 0.8842 ( 613 PWs) bands (ev): -7.4524 -7.4522 -3.4407 -3.4388 -1.5275 -1.5250 1.4416 1.4431 2.4458 2.4490 6.7982 6.8012 10.3283 10.3302 16.2666 16.2684 19.1867 19.1887 21.5344 21.5390 25.9501 25.9528 k = 0.4194 0.2444 0.8787 ( 611 PWs) bands (ev): -7.4562 -7.4559 -3.4978 -3.4960 -1.4833 -1.4808 1.4138 1.4152 2.4937 2.4967 6.7895 6.7923 10.3824 10.3843 16.3513 16.3530 19.0816 19.0835 21.4759 21.4801 25.9808 25.9831 k = 0.4274 0.2491 0.8733 ( 617 PWs) bands (ev): -7.4600 -7.4597 -3.5554 -3.5536 -1.4396 -1.4371 1.3863 1.3876 2.5416 2.5445 6.7850 6.7876 10.4335 10.4353 16.4359 16.4376 18.9824 18.9842 21.4218 21.4257 25.9982 26.0001 k = 0.4355 0.2538 0.8678 ( 615 PWs) bands (ev): -7.4638 -7.4636 -3.6133 -3.6115 -1.3964 -1.3938 1.3595 1.3607 2.5894 2.5921 6.7852 6.7876 10.4813 10.4832 16.5195 16.5211 18.8906 18.8923 21.3729 21.3764 26.0051 26.0067 k = 0.4435 0.2585 0.8624 ( 615 PWs) bands (ev): -7.4678 -7.4675 -3.6713 -3.6696 -1.3536 -1.3510 1.3335 1.3345 2.6365 2.6391 6.7900 6.7921 10.5255 10.5274 16.6008 16.6023 18.8075 18.8090 21.3292 21.3324 26.0030 26.0043 k = 0.4516 0.2632 0.8570 ( 616 PWs) bands (ev): -7.4719 -7.4717 -3.7295 -3.7278 -1.3112 -1.3086 1.3084 1.3093 2.6828 2.6853 6.7996 6.8015 10.5658 10.5677 16.6784 16.6798 18.7344 18.7358 21.2910 21.2938 25.9932 25.9943 k = 0.4597 0.2679 0.8515 ( 616 PWs) bands (ev): -7.4763 -7.4760 -3.7875 -3.7859 -1.2691 -1.2666 1.2845 1.2853 2.7278 2.7301 6.8141 6.8158 10.6020 10.6038 16.7504 16.7517 18.6734 18.6746 21.2586 21.2611 25.9769 25.9778 k = 0.4677 0.2726 0.8461 ( 618 PWs) bands (ev): -7.4810 -7.4808 -3.8454 -3.8437 -1.2274 -1.2249 1.2618 1.2625 2.7710 2.7733 6.8337 6.8352 10.6338 10.6356 16.8150 16.8161 18.6263 18.6273 21.2321 21.2343 25.9546 25.9554 k = 0.4758 0.2773 0.8406 ( 618 PWs) bands (ev): -7.4862 -7.4859 -3.9028 -3.9012 -1.1860 -1.1834 1.2406 1.2412 2.8124 2.8146 6.8583 6.8596 10.6610 10.6629 16.8701 16.8710 18.5951 18.5959 21.2118 21.2137 25.9270 25.9277 k = 0.4839 0.2820 0.8352 ( 618 PWs) bands (ev): -7.4919 -7.4916 -3.9597 -3.9582 -1.1447 -1.1421 1.2210 1.2216 2.8515 2.8537 6.8881 6.8893 10.6835 10.6855 16.9139 16.9147 18.5817 18.5822 21.1977 21.1995 25.8946 25.8952 k = 0.4919 0.2867 0.8298 ( 618 PWs) bands (ev): -7.4982 -7.4980 -4.0159 -4.0144 -1.1036 -1.1010 1.2031 1.2036 2.8880 2.8902 6.9229 6.9241 10.7012 10.7032 16.9452 16.9458 18.5873 18.5876 21.1899 21.1916 25.8576 25.8583 k = 0.5000 0.2914 0.8243 ( 620 PWs) bands (ev): -7.5054 -7.5052 -4.0711 -4.0696 -1.0625 -1.0600 1.1870 1.1875 2.9216 2.9238 6.9629 6.9640 10.7139 10.7159 16.9634 16.9640 18.6122 18.6123 21.1885 21.1901 25.8165 25.8171 k = 0.5000 0.2914 0.8243 ( 620 PWs) bands (ev): -7.5054 -7.5052 -4.0711 -4.0696 -1.0625 -1.0600 1.1870 1.1875 2.9216 2.9238 6.9629 6.9640 10.7139 10.7159 16.9634 16.9640 18.6122 18.6123 21.1885 21.1901 25.8165 25.8171 k = 0.5000 0.2914 0.8133 ( 616 PWs) bands (ev): -7.5214 -7.5211 -4.1816 -4.1801 -0.9800 -0.9774 1.1576 1.1580 2.9869 2.9891 7.0510 7.0523 10.7353 10.7374 16.9881 16.9887 18.6832 18.6833 21.1920 21.1938 25.7267 25.7275 k = 0.5000 0.2914 0.8023 ( 616 PWs) bands (ev): -7.5383 -7.5380 -4.2922 -4.2908 -0.8981 -0.8955 1.1304 1.1308 3.0523 3.0546 7.1432 7.1445 10.7581 10.7603 17.0141 17.0147 18.7572 18.7574 21.1952 21.1970 25.6308 25.6316 k = 0.5000 0.2914 0.7913 ( 616 PWs) bands (ev): -7.5563 -7.5560 -4.4028 -4.4015 -0.8166 -0.8141 1.1055 1.1059 3.1178 3.1202 7.2394 7.2407 10.7823 10.7847 17.0415 17.0422 18.8340 18.8342 21.1981 21.2000 25.5287 25.5296 k = 0.5000 0.2914 0.7804 ( 616 PWs) bands (ev): -7.5754 -7.5751 -4.5134 -4.5121 -0.7356 -0.7331 1.0831 1.0835 3.1835 3.1859 7.3394 7.3408 10.8080 10.8105 17.0702 17.0709 18.9134 18.9135 21.2007 21.2027 25.4205 25.4215 k = 0.5000 0.2914 0.7694 ( 612 PWs) bands (ev): -7.5955 -7.5952 -4.6239 -4.6226 -0.6550 -0.6524 1.0633 1.0636 3.2493 3.2517 7.4430 7.4444 10.8352 10.8378 17.1003 17.1010 18.9950 18.9952 21.2028 21.2049 25.3063 25.3074 k = 0.5000 0.2914 0.7584 ( 612 PWs) bands (ev): -7.6166 -7.6163 -4.7341 -4.7328 -0.5746 -0.5721 1.0460 1.0463 3.3150 3.3175 7.5500 7.5514 10.8639 10.8665 17.1316 17.1324 19.0784 19.0787 21.2044 21.2066 25.1860 25.1872 k = 0.5000 0.2914 0.7474 ( 612 PWs) bands (ev): -7.6388 -7.6384 -4.8441 -4.8428 -0.4945 -0.4919 1.0313 1.0316 3.3807 3.3833 7.6601 7.6615 10.8941 10.8968 17.1641 17.1649 19.1634 19.1637 21.2054 21.2077 25.0598 25.0610 k = 0.5000 0.2914 0.7364 ( 610 PWs) bands (ev): -7.6620 -7.6616 -4.9537 -4.9525 -0.4145 -0.4119 1.0194 1.0196 3.4464 3.4490 7.7731 7.7746 10.9257 10.9285 17.1978 17.1987 19.2497 19.2501 21.2058 21.2082 24.9279 24.9292 k = 0.5000 0.2914 0.7254 ( 610 PWs) bands (ev): -7.6861 -7.6858 -5.0628 -5.0617 -0.3345 -0.3320 1.0102 1.0104 3.5119 3.5146 7.8889 7.8904 10.9589 10.9617 17.2326 17.2335 19.3368 19.3372 21.2054 21.2079 24.7904 24.7917 k = 0.5000 0.2914 0.7144 ( 608 PWs) bands (ev): -7.7113 -7.7109 -5.1715 -5.1704 -0.2546 -0.2521 1.0039 1.0041 3.5773 3.5801 8.0073 8.0088 10.9935 10.9965 17.2686 17.2695 19.4245 19.4249 21.2044 21.2070 24.6475 24.6490 k = 0.5000 0.2914 0.7034 ( 606 PWs) bands (ev): -7.7374 -7.7370 -5.2796 -5.2785 -0.1746 -0.1721 1.0004 1.0005 3.6426 3.6454 8.1280 8.1296 11.0297 11.0327 17.3055 17.3065 19.5122 19.5127 21.2024 21.2051 24.4996 24.5011 k = 0.5000 0.2914 0.6924 ( 606 PWs) bands (ev): -7.7645 -7.7641 -5.3870 -5.3860 -0.0945 -0.0920 0.9998 0.9999 3.7076 3.7104 8.2509 8.2525 11.0673 11.0704 17.3435 17.3445 19.5996 19.6002 21.1995 21.2022 24.3468 24.3484 k = 0.5000 0.2914 0.6814 ( 606 PWs) bands (ev): -7.7925 -7.7921 -5.4938 -5.4927 -0.0143 -0.0118 1.0020 1.0021 3.7723 3.7752 8.3757 8.3773 11.1063 11.1095 17.3824 17.3835 19.6864 19.6869 21.1955 21.1983 24.1895 24.1911 k = 0.5000 0.2914 0.6704 ( 610 PWs) bands (ev): -7.8214 -7.8210 -5.5998 -5.5988 0.0661 0.0686 1.0072 1.0072 3.8368 3.8397 8.5023 8.5039 11.1468 11.1501 17.4221 17.4232 19.7718 19.7725 21.1905 21.1934 24.0279 24.0296 k = 0.5000 0.2914 0.6595 ( 610 PWs) bands (ev): -7.8511 -7.8507 -5.7049 -5.7039 0.1468 0.1493 1.0153 1.0154 3.9010 3.9039 8.6305 8.6321 11.1888 11.1921 17.4627 17.4638 19.8559 19.8566 21.1844 21.1873 23.8625 23.8642 k = 0.5000 0.2914 0.6485 ( 610 PWs) bands (ev): -7.8817 -7.8812 -5.8091 -5.8082 0.2278 0.2302 1.0264 1.0264 3.9648 3.9678 8.7601 8.7617 11.2322 11.2356 17.5040 17.5052 19.9380 19.9387 21.1771 21.1801 23.6935 23.6953 k = 0.5000 0.2914 0.6375 ( 610 PWs) bands (ev): -7.9130 -7.9126 -5.9125 -5.9116 0.3091 0.3115 1.0404 1.0404 4.0284 4.0314 8.8910 8.8926 11.2771 11.2806 17.5459 17.5472 20.0176 20.0183 21.1688 21.1718 23.5211 23.5230 k = 0.5000 0.2914 0.6265 ( 610 PWs) bands (ev): -7.9451 -7.9447 -6.0148 -6.0139 0.3908 0.3931 1.0574 1.0574 4.0915 4.0946 9.0229 9.0245 11.3234 11.3269 17.5885 17.5898 20.0944 20.0952 21.1591 21.1622 23.3460 23.3479 k = 0.5000 0.2914 0.6155 ( 610 PWs) bands (ev): -7.9779 -7.9775 -6.1160 -6.1152 0.4728 0.4751 1.0774 1.0774 4.1542 4.1573 9.1557 9.1574 11.3710 11.3745 17.6316 17.6329 20.1678 20.1687 21.1481 21.1512 23.1684 23.1704 k = 0.5000 0.2914 0.6045 ( 610 PWs) bands (ev): -8.0114 -8.0110 -6.2162 -6.2154 0.5552 0.5576 1.1003 1.1003 4.2164 4.2195 9.2893 9.2910 11.4199 11.4235 17.6752 17.6765 20.2375 20.2383 21.1358 21.1390 22.9888 22.9908 k = 0.5000 0.2914 0.5935 ( 610 PWs) bands (ev): -8.0455 -8.0451 -6.3152 -6.3144 0.6381 0.6404 1.1261 1.1261 4.2781 4.2813 9.4235 9.4252 11.4702 11.4739 17.7191 17.7204 20.3028 20.3037 21.1223 21.1255 22.8075 22.8096 k = 0.5000 0.2914 0.5825 ( 610 PWs) bands (ev): -8.0802 -8.0797 -6.4130 -6.4122 0.7214 0.7237 1.1548 1.1548 4.3394 4.3426 9.5582 9.5598 11.5218 11.5255 17.7632 17.7646 20.3632 20.3641 21.1074 21.1107 22.6253 22.6274 k = 0.5000 0.2914 0.5715 ( 612 PWs) bands (ev): -8.1154 -8.1149 -6.5096 -6.5089 0.8051 0.8074 1.1864 1.1864 4.4001 4.4033 9.6931 9.6948 11.5747 11.5784 17.8075 17.8089 20.4181 20.4190 21.0913 21.0945 22.4427 22.4449 k = 0.5000 0.2914 0.5605 ( 608 PWs) bands (ev): -8.1510 -8.1506 -6.6049 -6.6042 0.8893 0.8915 1.2209 1.2209 4.4602 4.4635 9.8283 9.8299 11.6289 11.6326 17.8519 17.8534 20.4667 20.4675 21.0739 21.0772 22.2606 22.2629 k = 0.5000 0.2914 0.5495 ( 608 PWs) bands (ev): -8.1871 -8.1867 -6.6989 -6.6982 0.9739 0.9761 1.2582 1.2582 4.5198 4.5231 9.9634 9.9650 11.6841 11.6879 17.8962 17.8977 20.5076 20.5085 21.0552 21.0584 22.0803 22.0826 k = 0.5000 0.2914 0.5386 ( 608 PWs) bands (ev): -8.2235 -8.2231 -6.7915 -6.7908 1.0590 1.0612 1.2982 1.2982 4.5788 4.5821 10.0984 10.1000 11.7406 11.7444 17.9404 17.9419 20.5394 20.5402 21.0352 21.0384 21.9035 21.9059 k = 0.5000 0.2914 0.5276 ( 608 PWs) bands (ev): -8.2603 -8.2599 -6.8827 -6.8820 1.1444 1.1466 1.3409 1.3409 4.6371 4.6404 10.2332 10.2348 11.7981 11.8019 17.9842 17.9858 20.5595 20.5602 21.0140 21.0172 21.7329 21.7354 k = 0.5000 0.2914 0.5166 ( 608 PWs) bands (ev): -8.2973 -8.2969 -6.9725 -6.9718 1.2303 1.2325 1.3862 1.3863 4.6947 4.6981 10.3676 10.3692 11.8567 11.8606 18.0276 18.0292 20.5640 20.5647 20.9916 20.9948 21.5725 21.5751 k = 0.5000 0.2914 0.5056 ( 600 PWs) bands (ev): -8.3345 -8.3341 -7.0607 -7.0601 1.3167 1.3188 1.4344 1.4344 4.7517 4.7550 10.5017 10.5032 11.9165 11.9204 18.0705 18.0721 20.5473 20.5479 20.9683 20.9714 21.4285 21.4312 k = 0.5000 0.2914 0.4946 ( 600 PWs) bands (ev): -8.3719 -8.3715 -7.1476 -7.1470 1.4033 1.4054 1.4849 1.4849 4.8078 4.8112 10.6350 10.6365 11.9771 11.9810 18.1126 18.1142 20.5016 20.5022 20.9438 20.9469 21.3085 21.3113 k = 0.5000 0.2914 0.4836 ( 600 PWs) bands (ev): -8.4093 -8.4089 -7.2328 -7.2323 1.4903 1.4924 1.5379 1.5380 4.8632 4.8666 10.7676 10.7691 12.0386 12.0425 18.1537 18.1553 20.4215 20.4221 20.9183 20.9213 21.2184 21.2211 k = 0.5000 0.2914 0.4726 ( 600 PWs) bands (ev): -8.4468 -8.4464 -7.3165 -7.3160 1.5774 1.5796 1.5933 1.5935 4.9178 4.9212 10.8994 10.9009 12.1009 12.1048 18.1937 18.1953 20.3075 20.3083 20.8920 20.8950 21.1580 21.1606 k = 0.5000 0.2914 0.4616 ( 600 PWs) bands (ev): -8.4843 -8.4839 -7.3987 -7.3981 1.6508 1.6510 1.6653 1.6671 4.9715 4.9749 11.0302 11.0317 12.1640 12.1679 18.2325 18.2341 20.1666 20.1674 20.8650 20.8679 21.1208 21.1233 k = 0.5000 0.2914 0.4506 ( 600 PWs) bands (ev): -8.5216 -8.5213 -7.4791 -7.4786 1.7110 1.7110 1.7529 1.7548 5.0243 5.0277 11.1600 11.1614 12.2278 12.2317 18.2697 18.2713 20.0070 20.0080 20.8374 20.8402 21.0988 21.1011 k = 0.5000 0.2914 0.4396 ( 600 PWs) bands (ev): -8.5589 -8.5585 -7.5580 -7.5575 1.7732 1.7732 1.8408 1.8426 5.0762 5.0796 11.2886 11.2900 12.2923 12.2962 18.3051 18.3067 19.8357 19.8368 20.8094 20.8120 21.0855 21.0877 k = 0.5000 0.2914 0.4286 ( 604 PWs) bands (ev): -8.5959 -8.5956 -7.6352 -7.6347 1.8375 1.8375 1.9287 1.9306 5.1271 5.1305 11.4158 11.4172 12.3573 12.3612 18.3385 18.3400 19.6569 19.6581 20.7810 20.7834 21.0770 21.0791 k = 0.5000 0.2914 0.4177 ( 604 PWs) bands (ev): -8.6328 -8.6324 -7.7107 -7.7102 1.9037 1.9038 2.0167 2.0186 5.1770 5.1805 11.5418 11.5432 12.4229 12.4268 18.3697 18.3711 19.4737 19.4749 20.7526 20.7549 21.0707 21.0727 k = 0.5000 0.2914 0.4067 ( 604 PWs) bands (ev): -8.6693 -8.6689 -7.7844 -7.7840 1.9719 1.9720 2.1048 2.1066 5.2259 5.2293 11.6664 11.6677 12.4889 12.4928 18.3982 18.3997 19.2879 19.2892 20.7244 20.7265 21.0653 21.0672 k = 0.5000 0.2914 0.3957 ( 604 PWs) bands (ev): -8.7054 -8.7051 -7.8565 -7.8560 2.0419 2.0420 2.1927 2.1945 5.2737 5.2771 11.7894 11.7907 12.5553 12.5592 18.4239 18.4253 19.1007 19.1020 20.6966 20.6985 21.0600 21.0618 k = 0.5000 0.2914 0.3847 ( 604 PWs) bands (ev): -8.7412 -8.7409 -7.9267 -7.9263 2.1136 2.1137 2.2804 2.2822 5.3203 5.3238 11.9108 11.9121 12.6219 12.6258 18.4464 18.4477 18.9130 18.9144 20.6695 20.6711 21.0541 21.0559 k = 0.5000 0.2914 0.3737 ( 604 PWs) bands (ev): -8.7765 -8.7762 -7.9952 -7.9948 2.1869 2.1870 2.3679 2.3696 5.3658 5.3693 12.0304 12.0317 12.6887 12.6925 18.4653 18.4666 18.7255 18.7268 20.6433 20.6447 21.0476 21.0493 k = 0.5000 0.2914 0.3627 ( 604 PWs) bands (ev): -8.8114 -8.8111 -8.0619 -8.0615 2.2616 2.2618 2.4551 2.4568 5.4101 5.4136 12.1482 12.1494 12.7556 12.7594 18.4802 18.4816 18.5389 18.5400 20.6184 20.6195 21.0403 21.0419 k = 0.5000 0.2914 0.3517 ( 608 PWs) bands (ev): -8.8457 -8.8454 -8.1268 -8.1264 2.3377 2.3379 2.5418 2.5435 5.4531 5.4566 12.2640 12.2652 12.8223 12.8261 18.3526 18.3540 18.4915 18.4924 20.5949 20.5957 21.0319 21.0335 k = 0.5000 0.2914 0.3407 ( 606 PWs) bands (ev): -8.8794 -8.8791 -8.1898 -8.1895 2.4150 2.4153 2.6280 2.6297 5.4949 5.4984 12.3780 12.3792 12.8891 12.8929 18.1683 18.1697 18.4979 18.4988 20.5734 20.5739 21.0231 21.0245 k = 0.5000 0.2914 0.3297 ( 610 PWs) bands (ev): -8.9124 -8.9122 -8.2510 -8.2507 2.4934 2.4937 2.7136 2.7152 5.5352 5.5387 12.4897 12.4909 12.9557 12.9594 17.9857 17.9871 18.4997 18.5004 20.5539 20.5542 21.0134 21.0147 k = 0.5000 0.2914 0.3187 ( 608 PWs) bands (ev): -8.9448 -8.9446 -8.3103 -8.3100 2.5728 2.5731 2.7985 2.8001 5.5743 5.5777 12.5994 12.6005 13.0220 13.0257 17.8052 17.8066 18.4965 18.4971 20.5369 20.5370 21.0031 21.0045 k = 0.5000 0.2914 0.3077 ( 608 PWs) bands (ev): -8.9765 -8.9762 -8.3677 -8.3674 2.6530 2.6533 2.8825 2.8840 5.6119 5.6153 12.7066 12.7077 13.0879 13.0915 17.6271 17.6284 18.4882 18.4887 20.5223 20.5228 20.9924 20.9936 k = 0.5000 0.2914 0.2968 ( 608 PWs) bands (ev): -9.0074 -9.0072 -8.4233 -8.4230 2.7338 2.7341 2.9655 2.9670 5.6480 5.6514 12.8115 12.8125 13.1533 13.1568 17.4515 17.4529 18.4748 18.4752 20.5105 20.5113 20.9812 20.9824 k = 0.5000 0.2914 0.2858 ( 604 PWs) bands (ev): -9.0375 -9.0373 -8.4769 -8.4766 2.8151 2.8154 3.0474 3.0488 5.6826 5.6860 12.9141 12.9151 13.2183 13.2218 17.2789 17.2802 18.4563 18.4566 20.5019 20.5029 20.9697 20.9709 k = 0.5000 0.2914 0.2748 ( 604 PWs) bands (ev): -9.0668 -9.0666 -8.5286 -8.5283 2.8966 2.8970 3.1281 3.1295 5.7157 5.7190 13.0138 13.0148 13.2823 13.2858 17.1093 17.1106 18.4328 18.4330 20.4960 20.4974 20.9580 20.9590 k = 0.5000 0.2914 0.2638 ( 604 PWs) bands (ev): -9.0952 -9.0950 -8.5783 -8.5781 2.9783 2.9788 3.2074 3.2087 5.7472 5.7505 13.1109 13.1119 13.3455 13.3489 16.9432 16.9444 18.4046 18.4047 20.4932 20.4949 20.9461 20.9471 k = 0.5000 0.2914 0.2528 ( 604 PWs) bands (ev): -9.1227 -9.1225 -8.6262 -8.6259 3.0599 3.0604 3.2852 3.2865 5.7770 5.7803 13.2052 13.2061 13.4076 13.4110 16.7806 16.7818 18.3718 18.3718 20.4932 20.4952 20.9341 20.9350 k = 0.5000 0.2914 0.2418 ( 604 PWs) bands (ev): -9.1493 -9.1491 -8.6720 -8.6718 3.1413 3.1418 3.3613 3.3626 5.8052 5.8084 13.2966 13.2975 13.4688 13.4720 16.6219 16.6231 18.3350 18.3350 20.4960 20.4982 20.9222 20.9230 k = 0.5000 0.2914 0.2308 ( 608 PWs) bands (ev): -9.1749 -9.1747 -8.7159 -8.7157 3.2221 3.2226 3.4356 3.4368 5.8317 5.8349 13.3850 13.3859 13.5287 13.5318 16.4672 16.4684 18.2945 18.2946 20.5012 20.5037 20.9103 20.9111 k = 0.5000 0.2914 0.2198 ( 612 PWs) bands (ev): -9.1995 -9.1994 -8.7578 -8.7576 3.3022 3.3028 3.5079 3.5091 5.8564 5.8595 13.4700 13.4709 13.5872 13.5903 16.3169 16.3180 18.2509 18.2510 20.5087 20.5114 20.8983 20.8991 k = 0.5000 0.2914 0.2088 ( 612 PWs) bands (ev): -9.2231 -9.2230 -8.7977 -8.7975 3.3814 3.3820 3.5782 3.5793 5.8795 5.8826 13.5521 13.5530 13.6445 13.6474 16.1712 16.1722 18.2047 18.2049 20.5186 20.5215 20.8869 20.8877 k = 0.5000 0.2914 0.1978 ( 608 PWs) bands (ev): -9.2457 -9.2455 -8.8356 -8.8354 3.4594 3.4600 3.6462 3.6473 5.9009 5.9038 13.6314 13.6322 13.7003 13.7031 16.0303 16.0313 18.1567 18.1569 20.5303 20.5334 20.8759 20.8765 k = 0.5000 0.2914 0.1868 ( 608 PWs) bands (ev): -9.2671 -9.2670 -8.8715 -8.8714 3.5359 3.5365 3.7117 3.7127 5.9205 5.9234 13.7066 13.7075 13.7546 13.7572 15.8945 15.8955 18.1072 18.1074 20.5436 20.5468 20.8651 20.8657 k = 0.5000 0.2914 0.1759 ( 608 PWs) bands (ev): -9.2875 -9.2873 -8.9054 -8.9053 3.6106 3.6112 3.7746 3.7756 5.9383 5.9412 13.7780 13.7791 13.8075 13.8098 15.7641 15.7649 18.0570 18.0572 20.5581 20.5614 20.8548 20.8554 k = 0.5000 0.2914 0.1649 ( 608 PWs) bands (ev): -9.3067 -9.3066 -8.9373 -8.9372 3.6833 3.6839 3.8348 3.8357 5.9545 5.9572 13.8444 13.8461 13.8599 13.8615 15.6391 15.6399 18.0065 18.0067 20.5738 20.5772 20.8450 20.8455 k = 0.5000 0.2914 0.1539 ( 608 PWs) bands (ev): -9.3248 -9.3247 -8.9672 -8.9670 3.7537 3.7543 3.8920 3.8928 5.9690 5.9716 13.9014 13.9043 13.9163 13.9166 15.5199 15.5206 17.9564 17.9566 20.5902 20.5937 20.8356 20.8361 k = 0.5000 0.2914 0.1429 ( 602 PWs) bands (ev): -9.3417 -9.3416 -8.9950 -8.9949 3.8215 3.8221 3.9462 3.9470 5.9822 5.9847 13.9502 13.9530 13.9753 13.9755 15.4067 15.4073 17.9073 17.9074 20.6072 20.6107 20.8268 20.8272 k = 0.5000 0.2914 0.1319 ( 602 PWs) bands (ev): -9.3574 -9.3573 -9.0208 -9.0206 3.8862 3.8868 3.9971 3.9978 5.9934 5.9958 13.9956 13.9982 14.0316 14.0318 15.2995 15.3001 17.8595 17.8596 20.6246 20.6281 20.8185 20.8189 k = 0.5000 0.2914 0.1209 ( 606 PWs) bands (ev): -9.3720 -9.3719 -9.0445 -9.0444 3.9474 3.9480 4.0445 4.0452 6.0031 6.0054 14.0387 14.0412 14.0842 14.0845 15.1986 15.1991 17.8135 17.8137 20.6419 20.6454 20.8106 20.8110 k = 0.5000 0.2914 0.1099 ( 606 PWs) bands (ev): -9.3853 -9.3852 -9.0662 -9.0661 4.0051 4.0057 4.0884 4.0891 6.0114 6.0135 14.0797 14.0821 14.1328 14.1331 15.1041 15.1045 17.7700 17.7701 20.6593 20.6627 20.8035 20.8039 k = 0.5000 0.2914 0.0989 ( 604 PWs) bands (ev): -9.3974 -9.3973 -9.0858 -9.0857 4.0588 4.0594 4.1287 4.1292 6.0184 6.0203 14.1189 14.1210 14.1773 14.1775 15.0162 15.0164 17.7292 17.7293 20.6762 20.6795 20.7972 20.7975 k = 0.5000 0.2914 0.0879 ( 604 PWs) bands (ev): -9.4083 -9.4082 -9.1034 -9.1033 4.1080 4.1085 4.1650 4.1655 6.0241 6.0259 14.1561 14.1581 14.2174 14.2176 14.9348 14.9349 17.6917 17.6917 20.6926 20.6957 20.7914 20.7917 k = 0.5000 0.2914 0.0769 ( 608 PWs) bands (ev): -9.4179 -9.4178 -9.1189 -9.1189 4.1524 4.1529 4.1974 4.1979 6.0286 6.0302 14.1916 14.1935 14.2530 14.2531 14.8599 14.8599 17.6576 17.6577 20.7081 20.7110 20.7862 20.7865 k = 0.5000 0.2914 0.0659 ( 608 PWs) bands (ev): -9.4262 -9.4262 -9.1324 -9.1323 4.1917 4.1921 4.2258 4.2262 6.0323 6.0337 14.2254 14.2272 14.2842 14.2843 14.7916 14.7916 17.6274 17.6275 20.7225 20.7251 20.7817 20.7820 k = 0.5000 0.2914 0.0550 ( 608 PWs) bands (ev): -9.4333 -9.4332 -9.1438 -9.1437 4.2256 4.2260 4.2501 4.2503 6.0351 6.0363 14.2577 14.2593 14.3108 14.3108 14.7299 14.7300 17.6014 17.6015 20.7355 20.7378 20.7779 20.7781 k = 0.5000 0.2914 0.0440 ( 608 PWs) bands (ev): -9.4391 -9.4390 -9.1531 -9.1531 4.2538 4.2540 4.2701 4.2702 6.0372 6.0382 14.2883 14.2897 14.3328 14.3328 14.6750 14.6752 17.5798 17.5798 20.7468 20.7487 20.7748 20.7750 k = 0.5000 0.2914 0.0330 ( 608 PWs) bands (ev): -9.4436 -9.4436 -9.1603 -9.1603 4.2758 4.2760 4.2859 4.2860 6.0388 6.0395 14.3167 14.3179 14.3502 14.3503 14.6274 14.6277 17.5628 17.5628 20.7561 20.7575 20.7724 20.7726 k = 0.5000 0.2914 0.0220 ( 608 PWs) bands (ev): -9.4468 -9.4468 -9.1655 -9.1655 4.2914 4.2914 4.2975 4.2976 6.0398 6.0403 14.3412 14.3422 14.3635 14.3636 14.5884 14.5887 17.5505 17.5505 20.7630 20.7638 20.7707 20.7710 k = 0.5000 0.2914 0.0110 ( 604 PWs) bands (ev): -9.4488 -9.4487 -9.1686 -9.1686 4.3003 4.3004 4.3051 4.3051 6.0406 6.0408 14.3581 14.3587 14.3737 14.3737 14.5612 14.5614 17.5431 17.5431 20.7671 20.7673 20.7702 20.7705 k = 0.5000 0.2914-0.0000 ( 612 PWs) bands (ev): -9.4494 -9.4494 -9.1697 -9.1697 4.3029 4.3029 4.3076 4.3076 6.0409 6.0409 14.3635 14.3635 14.3782 14.3782 14.5510 14.5510 17.5405 17.5405 20.7677 20.7677 20.7702 20.7702 k = 0.0000 0.0000 0.9930 ( 610 PWs) bands (ev): -7.3887 -7.3887 -2.4703 -2.4703 -2.4187 -2.4187 1.7258 1.7258 2.1266 2.1266 6.2671 6.2671 10.5593 10.5593 16.7761 16.7761 18.0439 18.0439 21.1512 21.1512 26.4704 26.4704 k = 0.0093 0.0054 0.9930 ( 610 PWs) bands (ev): -7.3887 -7.3886 -2.4703 -2.4702 -2.4189 -2.4188 1.7260 1.7261 2.1255 2.1259 6.2697 6.2701 10.5559 10.5561 16.7623 16.7627 18.0608 18.0612 21.1553 21.1557 26.4678 26.4681 k = 0.0185 0.0108 0.9930 ( 610 PWs) bands (ev): -7.3886 -7.3886 -2.4700 -2.4699 -2.4194 -2.4192 1.7268 1.7270 2.1227 2.1234 6.2779 6.2786 10.5458 10.5461 16.7234 16.7242 18.1096 18.1105 21.1680 21.1689 26.4604 26.4610 k = 0.0278 0.0162 0.9930 ( 610 PWs) bands (ev): -7.3886 -7.3885 -2.4696 -2.4694 -2.4201 -2.4198 1.7281 1.7285 2.1181 2.1192 6.2916 6.2927 10.5291 10.5296 16.6646 16.6657 18.1854 18.1866 21.1892 21.1906 26.4483 26.4492 k = 0.0370 0.0216 0.9930 ( 610 PWs) bands (ev): -7.3885 -7.3884 -2.4691 -2.4687 -2.4210 -2.4206 1.7300 1.7304 2.1118 2.1133 6.3107 6.3121 10.5060 10.5067 16.5918 16.5931 18.2823 18.2836 21.2187 21.2206 26.4313 26.4325 k = 0.0463 0.0270 0.9930 ( 610 PWs) bands (ev): -7.3884 -7.3883 -2.4683 -2.4679 -2.4222 -2.4217 1.7323 1.7329 2.1040 2.1058 6.3351 6.3368 10.4767 10.4775 16.5099 16.5113 18.3950 18.3965 21.2563 21.2586 26.4095 26.4110 k = 0.0556 0.0324 0.9930 ( 610 PWs) bands (ev): -7.3882 -7.3881 -2.4674 -2.4669 -2.4237 -2.4231 1.7351 1.7358 2.0947 2.0970 6.3645 6.3664 10.4415 10.4424 16.4228 16.4244 18.5197 18.5213 21.3017 21.3044 26.3831 26.3848 k = 0.0648 0.0378 0.9930 ( 610 PWs) bands (ev): -7.3880 -7.3879 -2.4664 -2.4658 -2.4253 -2.4246 1.7384 1.7392 2.0842 2.0868 6.3986 6.4009 10.4006 10.4017 16.3333 16.3349 18.6534 18.6552 21.3544 21.3576 26.3519 26.3539 k = 0.0741 0.0432 0.9930 ( 610 PWs) bands (ev): -7.3879 -7.3877 -2.4652 -2.4645 -2.4271 -2.4263 1.7420 1.7429 2.0726 2.0755 6.4373 6.4399 10.3545 10.3558 16.2433 16.2450 18.7941 18.7960 21.4140 21.4177 26.3161 26.3183 k = 0.0833 0.0486 0.9930 ( 610 PWs) bands (ev): -7.3877 -7.3875 -2.4640 -2.4631 -2.4290 -2.4281 1.7460 1.7469 2.0601 2.0633 6.4802 6.4831 10.3036 10.3050 16.1543 16.1561 18.9403 18.9422 21.4800 21.4842 26.2758 26.2782 k = 0.0926 0.0540 0.9930 ( 616 PWs) bands (ev): -7.3875 -7.3873 -2.4626 -2.4617 -2.4311 -2.4302 1.7501 1.7511 2.0468 2.0503 6.5269 6.5301 10.2483 10.2498 16.0672 16.0690 19.0905 19.0925 21.5518 21.5563 26.2309 26.2336 k = 0.1019 0.0594 0.9930 ( 616 PWs) bands (ev): -7.3872 -7.3870 -2.4612 -2.4602 -2.4333 -2.4323 1.7545 1.7557 2.0330 2.0368 6.5772 6.5806 10.1892 10.1908 15.9829 15.9848 19.2440 19.2461 21.6289 21.6339 26.1818 26.1848 k = 0.1111 0.0648 0.9930 ( 614 PWs) bands (ev): -7.3870 -7.3868 -2.4597 -2.4586 -2.4356 -2.4344 1.7591 1.7604 2.0190 2.0230 6.6304 6.6341 10.1270 10.1286 15.9020 15.9039 19.3997 19.4019 21.7105 21.7159 26.0575 26.0588 k = 0.1204 0.0702 0.9930 ( 610 PWs) bands (ev): -7.3868 -7.3865 -2.4582 -2.4570 -2.4379 -2.4366 1.7639 1.7653 2.0047 2.0090 6.6864 6.6903 10.0620 10.0636 15.8249 15.8268 19.5570 19.5593 21.7961 21.8020 25.8894 25.8906 k = 0.1296 0.0756 0.9930 ( 610 PWs) bands (ev): -7.3865 -7.3863 -2.4566 -2.4554 -2.4402 -2.4388 1.7687 1.7701 1.9905 1.9950 6.7443 6.7484 9.9948 9.9965 15.7520 15.7539 19.7149 19.7172 21.8844 21.8907 25.7212 25.7223 k = 0.1389 0.0809 0.9930 ( 610 PWs) bands (ev): -7.3863 -7.3860 -2.4551 -2.4538 -2.4425 -2.4410 1.7734 1.7749 1.9766 1.9813 6.8036 6.8080 9.9263 9.9281 15.6835 15.6854 19.8726 19.8750 21.9747 21.9814 25.5540 25.5549 k = 0.1481 0.0863 0.9930 ( 614 PWs) bands (ev): -7.3860 -7.3857 -2.4536 -2.4522 -2.4447 -2.4431 1.7780 1.7796 1.9630 1.9679 6.8638 6.8684 9.8571 9.8588 15.6197 15.6217 20.0290 20.0316 22.0660 22.0731 25.3887 25.3894 k = 0.1574 0.0917 0.9930 ( 614 PWs) bands (ev): -7.3858 -7.3855 -2.4523 -2.4507 -2.4468 -2.4451 1.7825 1.7841 1.9501 1.9551 6.9242 6.9290 9.7882 9.7900 15.5609 15.5629 20.1833 20.1859 22.1572 22.1648 25.2263 25.2268 k = 0.1667 0.0971 0.9930 ( 604 PWs) bands (ev): -7.3856 -7.3853 -2.4511 -2.4494 -2.4486 -2.4468 1.7870 1.7887 1.9380 1.9432 6.9839 6.9889 9.7205 9.7223 15.5073 15.5093 20.3345 20.3372 22.2473 22.2553 25.0682 25.0686 k = 0.1759 0.1025 0.9930 ( 604 PWs) bands (ev): -7.3854 -7.3850 -2.4509 -2.4507 -2.4478 -2.4477 1.7909 1.7927 1.9267 1.9320 7.0421 7.0472 9.6549 9.6566 15.4588 15.4608 20.4802 20.4831 22.3347 22.3431 24.9157 24.9159 k = 0.1852 0.1079 0.9930 ( 608 PWs) bands (ev): -7.3852 -7.3848 -2.4526 -2.4516 -2.4474 -2.4465 1.7945 1.7963 1.9164 1.9218 7.0976 7.1030 9.5924 9.5941 15.4158 15.4178 20.6192 20.6222 22.4179 22.4267 24.7706 24.7707 k = 0.1944 0.1133 0.9930 ( 608 PWs) bands (ev): -7.3850 -7.3847 -2.4542 -2.4529 -2.4465 -2.4454 1.7978 1.7996 1.9072 1.9128 7.1495 7.1550 9.5344 9.5361 15.3783 15.3803 20.7492 20.7523 22.4954 22.5046 24.6352 24.6354 k = 0.2037 0.1187 0.9930 ( 608 PWs) bands (ev): -7.3849 -7.3845 -2.4555 -2.4542 -2.4457 -2.4444 1.8006 1.8025 1.8993 1.9049 7.1965 7.2022 9.4821 9.4837 15.3464 15.3484 20.8677 20.8710 22.5654 22.5750 24.5120 24.5124 k = 0.2130 0.1241 0.9930 ( 612 PWs) bands (ev): -7.3847 -7.3844 -2.4567 -2.4552 -2.4449 -2.4436 1.8029 1.8048 1.8927 1.8984 7.2373 7.2432 9.4368 9.4383 15.3202 15.3223 20.9714 20.9749 22.6260 22.6359 24.4040 24.4045 k = 0.2222 0.1295 0.9930 ( 612 PWs) bands (ev): -7.3846 -7.3843 -2.4576 -2.4561 -2.4443 -2.4429 1.8048 1.8067 1.8875 1.8933 7.2708 7.2768 9.3998 9.4013 15.2998 15.3018 21.0574 21.0610 22.6757 22.6858 24.3150 24.3157 k = 0.2315 0.1349 0.9930 ( 612 PWs) bands (ev): -7.3846 -7.3842 -2.4582 -2.4567 -2.4439 -2.4425 1.8062 1.8081 1.8837 1.8895 7.2957 7.3018 9.3724 9.3738 15.2851 15.2872 21.1220 21.1257 22.7125 22.7229 24.2481 24.2489 k = 0.2407 0.1403 0.9930 ( 612 PWs) bands (ev): -7.3845 -7.3842 -2.4586 -2.4571 -2.4436 -2.4422 1.8070 1.8090 1.8815 1.8873 7.3111 7.3172 9.3555 9.3569 15.2764 15.2784 21.1623 21.1660 22.7353 22.7457 24.2065 24.2074 k = 0.2500 0.1457 0.9930 ( 612 PWs) bands (ev): -7.3845 -7.3842 -2.4587 -2.4572 -2.4435 -2.4421 1.8073 1.8092 1.8807 1.8865 7.3163 7.3224 9.3498 9.3512 15.2734 15.2755 21.1760 21.1797 22.7429 22.7535 24.1924 24.1933 Writing output data file CN2.save init_run : 0.17s CPU 0.90s WALL ( 1 calls) electrons : 51.84s CPU 52.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.23s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 51.83s CPU 52.83s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 577 calls) cegterg : 47.52s CPU 48.37s WALL ( 615 calls) Called by sum_band: Called by *egterg: h_psi : 29.50s CPU 33.81s WALL ( 10223 calls) s_psi : 0.82s CPU 0.92s WALL ( 10223 calls) g_psi : 0.03s CPU 0.04s WALL ( 9031 calls) cdiaghg : 13.26s CPU 13.49s WALL ( 9608 calls) cegterg:over : 1.54s CPU 1.59s WALL ( 9031 calls) cegterg:upda : 0.31s CPU 0.31s WALL ( 9031 calls) cegterg:last : 0.23s CPU 0.22s WALL ( 2066 calls) Called by h_psi: h_psi:vloc : 27.99s CPU 32.20s WALL ( 10223 calls) h_psi:vnl : 1.50s CPU 1.58s WALL ( 10223 calls) add_vuspsi : 0.49s CPU 0.58s WALL ( 10223 calls) General routines calbec : 0.99s CPU 0.98s WALL ( 10223 calls) fft : 0.01s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.10s CPU 30.82s WALL ( 579188 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.02s CPU 0.15s WALL ( 1154 calls) Parallel routines fft_scatter : 21.19s CPU 22.81s WALL ( 579211 calls) PWSCF : 1m 6.56s CPU 1m28.51s WALL This run was terminated on: 12:28:28 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=