Program PWSCF v.5.1.1 starts on 20Jul2015 at 6:37: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaC2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 33 19 5 674 280 46 Max 34 20 6 678 291 49 Sum 1619 917 279 32467 13755 2295 bravais-lattice index = 14 lattice parameter (alat) = 7.9598 a.u. unit-cell volume = 325.7515 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.959796 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.573555 celldm(5)= -0.573555 celldm(6)= 0.147110 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.147110 0.989120 0.000000 ) a(3) = ( -0.573555 -0.494560 0.653028 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.148728 0.765665 ) b(2) = ( 0.000000 1.011000 0.765665 ) b(3) = ( 0.000000 0.000000 1.531329 ) PseudoPot. # 1 for Ca read from file: /home/autes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 atomic species valence mass pseudopotential Ca 10.00 40.07800 Ca( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 413 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0000000 0.0000000 0.0132011), wk = 0.0024213 k( 3) = ( 0.0000000 0.0000000 0.0264022), wk = 0.0024213 k( 4) = ( 0.0000000 0.0000000 0.0396033), wk = 0.0024213 k( 5) = ( 0.0000000 0.0000000 0.0528045), wk = 0.0024213 k( 6) = ( 0.0000000 0.0000000 0.0660056), wk = 0.0024213 k( 7) = ( 0.0000000 0.0000000 0.0792067), wk = 0.0024213 k( 8) = ( 0.0000000 0.0000000 0.0924078), wk = 0.0024213 k( 9) = ( 0.0000000 0.0000000 0.1056089), wk = 0.0024213 k( 10) = ( 0.0000000 0.0000000 0.1188100), wk = 0.0024213 k( 11) = ( 0.0000000 0.0000000 0.1320111), wk = 0.0024213 k( 12) = ( 0.0000000 0.0000000 0.1452122), wk = 0.0024213 k( 13) = ( 0.0000000 0.0000000 0.1584134), wk = 0.0024213 k( 14) = ( 0.0000000 0.0000000 0.1716145), wk = 0.0024213 k( 15) = ( 0.0000000 0.0000000 0.1848156), wk = 0.0024213 k( 16) = ( 0.0000000 0.0000000 0.1980167), wk = 0.0024213 k( 17) = ( 0.0000000 0.0000000 0.2112178), wk = 0.0024213 k( 18) = ( 0.0000000 0.0000000 0.2244189), wk = 0.0024213 k( 19) = ( 0.0000000 0.0000000 0.2376200), wk = 0.0024213 k( 20) = ( 0.0000000 0.0000000 0.2508211), wk = 0.0024213 k( 21) = ( 0.0000000 0.0000000 0.2640222), wk = 0.0024213 k( 22) = ( 0.0000000 0.0000000 0.2772234), wk = 0.0024213 k( 23) = ( 0.0000000 0.0000000 0.2904245), wk = 0.0024213 k( 24) = ( 0.0000000 0.0000000 0.3036256), wk = 0.0024213 k( 25) = ( 0.0000000 0.0000000 0.3168267), wk = 0.0024213 k( 26) = ( 0.0000000 0.0000000 0.3300278), wk = 0.0024213 k( 27) = ( 0.0000000 0.0000000 0.3432289), wk = 0.0024213 k( 28) = ( 0.0000000 0.0000000 0.3564300), wk = 0.0024213 k( 29) = ( 0.0000000 0.0000000 0.3696311), wk = 0.0024213 k( 30) = ( 0.0000000 0.0000000 0.3828323), wk = 0.0024213 k( 31) = ( 0.0000000 0.0000000 0.3960334), wk = 0.0024213 k( 32) = ( 0.0000000 0.0000000 0.4092345), wk = 0.0024213 k( 33) = ( 0.0000000 0.0000000 0.4224356), wk = 0.0024213 k( 34) = ( 0.0000000 0.0000000 0.4356367), wk = 0.0024213 k( 35) = ( 0.0000000 0.0000000 0.4488378), wk = 0.0024213 k( 36) = ( 0.0000000 0.0000000 0.4620389), wk = 0.0024213 k( 37) = ( 0.0000000 0.0000000 0.4752401), wk = 0.0024213 k( 38) = ( 0.0000000 0.0000000 0.4884412), wk = 0.0024213 k( 39) = ( 0.0000000 0.0000000 0.5016423), wk = 0.0024213 k( 40) = ( 0.0000000 0.0000000 0.5148434), wk = 0.0024213 k( 41) = ( 0.0000000 0.0000000 0.5280445), wk = 0.0024213 k( 42) = ( 0.0000000 0.0000000 0.5412456), wk = 0.0024213 k( 43) = ( 0.0000000 0.0000000 0.5544467), wk = 0.0024213 k( 44) = ( 0.0000000 0.0000000 0.5676478), wk = 0.0024213 k( 45) = ( 0.0000000 0.0000000 0.5808489), wk = 0.0024213 k( 46) = ( 0.0000000 0.0000000 0.5940501), wk = 0.0024213 k( 47) = ( 0.0000000 0.0000000 0.6072512), wk = 0.0024213 k( 48) = ( 0.0000000 0.0000000 0.6204523), wk = 0.0024213 k( 49) = ( 0.0000000 0.0000000 0.6336534), wk = 0.0024213 k( 50) = ( 0.0000000 0.0000000 0.6468545), wk = 0.0024213 k( 51) = ( 0.0000000 0.0000000 0.6600556), wk = 0.0024213 k( 52) = ( 0.0000000 0.0000000 0.6732567), wk = 0.0024213 k( 53) = ( 0.0000000 0.0000000 0.6864578), wk = 0.0024213 k( 54) = ( 0.0000000 0.0000000 0.6996590), wk = 0.0024213 k( 55) = ( 0.0000000 0.0000000 0.7128601), wk = 0.0024213 k( 56) = ( 0.0000000 0.0000000 0.7260612), wk = 0.0024213 k( 57) = ( 0.0000000 0.0000000 0.7392623), wk = 0.0024213 k( 58) = ( 0.0000000 0.0000000 0.7524634), wk = 0.0024213 k( 59) = ( 0.0000000 0.0000000 0.7656645), wk = 0.0024213 k( 60) = ( 0.0000000 0.0000000 0.7656645), wk = 0.0024213 k( 61) = ( -0.0084490 0.0097985 0.7656645), wk = 0.0024213 k( 62) = ( -0.0168980 0.0195971 0.7656645), wk = 0.0024213 k( 63) = ( -0.0253470 0.0293956 0.7656645), wk = 0.0024213 k( 64) = ( -0.0337960 0.0391942 0.7656645), wk = 0.0024213 k( 65) = ( -0.0422450 0.0489927 0.7656645), wk = 0.0024213 k( 66) = ( -0.0506940 0.0587912 0.7656645), wk = 0.0024213 k( 67) = ( -0.0591430 0.0685898 0.7656645), wk = 0.0024213 k( 68) = ( -0.0675920 0.0783883 0.7656645), wk = 0.0024213 k( 69) = ( -0.0760410 0.0881868 0.7656645), wk = 0.0024213 k( 70) = ( -0.0844900 0.0979854 0.7656645), wk = 0.0024213 k( 71) = ( -0.0929390 0.1077839 0.7656645), wk = 0.0024213 k( 72) = ( -0.1013880 0.1175825 0.7656645), wk = 0.0024213 k( 73) = ( -0.1098370 0.1273810 0.7656645), wk = 0.0024213 k( 74) = ( -0.1182860 0.1371795 0.7656645), wk = 0.0024213 k( 75) = ( -0.1267350 0.1469781 0.7656645), wk = 0.0024213 k( 76) = ( -0.1351840 0.1567766 0.7656645), wk = 0.0024213 k( 77) = ( -0.1436330 0.1665751 0.7656645), wk = 0.0024213 k( 78) = ( -0.1520819 0.1763737 0.7656645), wk = 0.0024213 k( 79) = ( -0.1605310 0.1861722 0.7656645), wk = 0.0024213 k( 80) = ( -0.1689799 0.1959707 0.7656645), wk = 0.0024213 k( 81) = ( -0.1774289 0.2057693 0.7656645), wk = 0.0024213 k( 82) = ( -0.1858779 0.2155678 0.7656645), wk = 0.0024213 k( 83) = ( -0.1858779 0.2155678 0.7656645), wk = 0.0024213 k( 84) = ( -0.1919187 0.2225735 0.7564141), wk = 0.0024213 k( 85) = ( -0.1979596 0.2295792 0.7471636), wk = 0.0024213 k( 86) = ( -0.2040004 0.2365849 0.7379131), wk = 0.0024213 k( 87) = ( -0.2100412 0.2435906 0.7286627), wk = 0.0024213 k( 88) = ( -0.2160820 0.2505963 0.7194122), wk = 0.0024213 k( 89) = ( -0.2221228 0.2576020 0.7101617), wk = 0.0024213 k( 90) = ( -0.2281636 0.2646077 0.7009113), wk = 0.0024213 k( 91) = ( -0.2342044 0.2716134 0.6916608), wk = 0.0024213 k( 92) = ( -0.2402452 0.2786191 0.6824103), wk = 0.0024213 k( 93) = ( -0.2462860 0.2856248 0.6731599), wk = 0.0024213 k( 94) = ( -0.2523268 0.2926305 0.6639094), wk = 0.0024213 k( 95) = ( -0.2583677 0.2996362 0.6546589), wk = 0.0024213 k( 96) = ( -0.2644085 0.3066418 0.6454085), wk = 0.0024213 k( 97) = ( -0.2704493 0.3136475 0.6361580), wk = 0.0024213 k( 98) = ( -0.2764901 0.3206532 0.6269075), wk = 0.0024213 k( 99) = ( -0.2825309 0.3276589 0.6176571), wk = 0.0024213 k( 100) = ( -0.2885717 0.3346646 0.6084066), wk = 0.0024213 k( 101) = ( -0.2946125 0.3416703 0.5991561), wk = 0.0024213 k( 102) = ( -0.3006533 0.3486760 0.5899057), wk = 0.0024213 k( 103) = ( -0.3066941 0.3556817 0.5806552), wk = 0.0024213 k( 104) = ( -0.3127349 0.3626874 0.5714047), wk = 0.0024213 k( 105) = ( -0.3187757 0.3696931 0.5621543), wk = 0.0024213 k( 106) = ( -0.3248165 0.3766988 0.5529038), wk = 0.0024213 k( 107) = ( -0.3308573 0.3837045 0.5436533), wk = 0.0024213 k( 108) = ( -0.3368982 0.3907102 0.5344029), wk = 0.0024213 k( 109) = ( -0.3429390 0.3977159 0.5251524), wk = 0.0024213 k( 110) = ( -0.3429390 0.3977159 0.5251524), wk = 0.0024213 k( 111) = ( -0.3368151 0.3906138 0.5157747), wk = 0.0024213 k( 112) = ( -0.3306911 0.3835117 0.5063970), wk = 0.0024213 k( 113) = ( -0.3245672 0.3764097 0.4970192), wk = 0.0024213 k( 114) = ( -0.3184433 0.3693076 0.4876415), wk = 0.0024213 k( 115) = ( -0.3123194 0.3622055 0.4782638), wk = 0.0024213 k( 116) = ( -0.3061955 0.3551035 0.4688861), wk = 0.0024213 k( 117) = ( -0.3000716 0.3480014 0.4595084), wk = 0.0024213 k( 118) = ( -0.2939477 0.3408993 0.4501306), wk = 0.0024213 k( 119) = ( -0.2878238 0.3337972 0.4407529), wk = 0.0024213 k( 120) = ( -0.2816999 0.3266952 0.4313752), wk = 0.0024213 k( 121) = ( -0.2755760 0.3195931 0.4219975), wk = 0.0024213 k( 122) = ( -0.2694520 0.3124910 0.4126198), wk = 0.0024213 k( 123) = ( -0.2633281 0.3053890 0.4032420), wk = 0.0024213 k( 124) = ( -0.2572042 0.2982869 0.3938643), wk = 0.0024213 k( 125) = ( -0.2510803 0.2911848 0.3844866), wk = 0.0024213 k( 126) = ( -0.2449564 0.2840828 0.3751089), wk = 0.0024213 k( 127) = ( -0.2388325 0.2769807 0.3657311), wk = 0.0024213 k( 128) = ( -0.2327086 0.2698786 0.3563534), wk = 0.0024213 k( 129) = ( -0.2265847 0.2627766 0.3469757), wk = 0.0024213 k( 130) = ( -0.2204608 0.2556745 0.3375980), wk = 0.0024213 k( 131) = ( -0.2143369 0.2485724 0.3282203), wk = 0.0024213 k( 132) = ( -0.2082130 0.2414704 0.3188425), wk = 0.0024213 k( 133) = ( -0.2020890 0.2343683 0.3094648), wk = 0.0024213 k( 134) = ( -0.1959651 0.2272662 0.3000871), wk = 0.0024213 k( 135) = ( -0.1898412 0.2201641 0.2907094), wk = 0.0024213 k( 136) = ( -0.1837173 0.2130621 0.2813317), wk = 0.0024213 k( 137) = ( -0.1775934 0.2059600 0.2719539), wk = 0.0024213 k( 138) = ( -0.1714695 0.1988579 0.2625762), wk = 0.0024213 k( 139) = ( -0.1653456 0.1917559 0.2531985), wk = 0.0024213 k( 140) = ( -0.1592217 0.1846538 0.2438208), wk = 0.0024213 k( 141) = ( -0.1530978 0.1775517 0.2344430), wk = 0.0024213 k( 142) = ( -0.1469738 0.1704497 0.2250653), wk = 0.0024213 k( 143) = ( -0.1408499 0.1633476 0.2156876), wk = 0.0024213 k( 144) = ( -0.1347260 0.1562455 0.2063099), wk = 0.0024213 k( 145) = ( -0.1286021 0.1491434 0.1969321), wk = 0.0024213 k( 146) = ( -0.1224782 0.1420414 0.1875544), wk = 0.0024213 k( 147) = ( -0.1163543 0.1349393 0.1781767), wk = 0.0024213 k( 148) = ( -0.1102304 0.1278372 0.1687990), wk = 0.0024213 k( 149) = ( -0.1041065 0.1207352 0.1594213), wk = 0.0024213 k( 150) = ( -0.0979826 0.1136331 0.1500435), wk = 0.0024213 k( 151) = ( -0.0918587 0.1065310 0.1406658), wk = 0.0024213 k( 152) = ( -0.0857347 0.0994290 0.1312881), wk = 0.0024213 k( 153) = ( -0.0796108 0.0923269 0.1219104), wk = 0.0024213 k( 154) = ( -0.0734869 0.0852248 0.1125327), wk = 0.0024213 k( 155) = ( -0.0673630 0.0781228 0.1031549), wk = 0.0024213 k( 156) = ( -0.0612391 0.0710207 0.0937772), wk = 0.0024213 k( 157) = ( -0.0551152 0.0639186 0.0843995), wk = 0.0024213 k( 158) = ( -0.0489913 0.0568166 0.0750218), wk = 0.0024213 k( 159) = ( -0.0428674 0.0497145 0.0656440), wk = 0.0024213 k( 160) = ( -0.0367435 0.0426124 0.0562663), wk = 0.0024213 k( 161) = ( -0.0306195 0.0355103 0.0468886), wk = 0.0024213 k( 162) = ( -0.0244956 0.0284083 0.0375109), wk = 0.0024213 k( 163) = ( -0.0183717 0.0213062 0.0281332), wk = 0.0024213 k( 164) = ( -0.0122478 0.0142041 0.0187554), wk = 0.0024213 k( 165) = ( -0.0061239 0.0071021 0.0093777), wk = 0.0024213 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 168) = ( 0.0100000 0.0086227 0.0000000), wk = 0.0024213 k( 169) = ( 0.0200000 0.0172454 0.0000000), wk = 0.0024213 k( 170) = ( 0.0300000 0.0258681 0.0000000), wk = 0.0024213 k( 171) = ( 0.0400000 0.0344909 0.0000000), wk = 0.0024213 k( 172) = ( 0.0500000 0.0431136 0.0000000), wk = 0.0024213 k( 173) = ( 0.0600000 0.0517363 0.0000000), wk = 0.0024213 k( 174) = ( 0.0700000 0.0603590 0.0000000), wk = 0.0024213 k( 175) = ( 0.0800000 0.0689817 0.0000000), wk = 0.0024213 k( 176) = ( 0.0900000 0.0776044 0.0000000), wk = 0.0024213 k( 177) = ( 0.1000000 0.0862271 0.0000000), wk = 0.0024213 k( 178) = ( 0.1100000 0.0948498 0.0000000), wk = 0.0024213 k( 179) = ( 0.1200000 0.1034726 0.0000000), wk = 0.0024213 k( 180) = ( 0.1300000 0.1120953 0.0000000), wk = 0.0024213 k( 181) = ( 0.1400000 0.1207180 0.0000000), wk = 0.0024213 k( 182) = ( 0.1500000 0.1293407 0.0000000), wk = 0.0024213 k( 183) = ( 0.1600000 0.1379634 0.0000000), wk = 0.0024213 k( 184) = ( 0.1700000 0.1465861 0.0000000), wk = 0.0024213 k( 185) = ( 0.1800000 0.1552088 0.0000000), wk = 0.0024213 k( 186) = ( 0.1900000 0.1638315 0.0000000), wk = 0.0024213 k( 187) = ( 0.2000000 0.1724543 0.0000000), wk = 0.0024213 k( 188) = ( 0.2100000 0.1810770 0.0000000), wk = 0.0024213 k( 189) = ( 0.2200000 0.1896997 0.0000000), wk = 0.0024213 k( 190) = ( 0.2300000 0.1983224 0.0000000), wk = 0.0024213 k( 191) = ( 0.2400000 0.2069451 0.0000000), wk = 0.0024213 k( 192) = ( 0.2500000 0.2155678 0.0000000), wk = 0.0024213 k( 193) = ( 0.2600000 0.2241905 0.0000000), wk = 0.0024213 k( 194) = ( 0.2700000 0.2328132 0.0000000), wk = 0.0024213 k( 195) = ( 0.2800000 0.2414360 0.0000000), wk = 0.0024213 k( 196) = ( 0.2900000 0.2500587 0.0000000), wk = 0.0024213 k( 197) = ( 0.3000000 0.2586814 0.0000000), wk = 0.0024213 k( 198) = ( 0.3100000 0.2673041 0.0000000), wk = 0.0024213 k( 199) = ( 0.3200000 0.2759268 0.0000000), wk = 0.0024213 k( 200) = ( 0.3300000 0.2845495 0.0000000), wk = 0.0024213 k( 201) = ( 0.3400000 0.2931722 0.0000000), wk = 0.0024213 k( 202) = ( 0.3500000 0.3017949 0.0000000), wk = 0.0024213 k( 203) = ( 0.3600000 0.3104177 0.0000000), wk = 0.0024213 k( 204) = ( 0.3700000 0.3190404 0.0000000), wk = 0.0024213 k( 205) = ( 0.3800000 0.3276631 0.0000000), wk = 0.0024213 k( 206) = ( 0.3900000 0.3362858 0.0000000), wk = 0.0024213 k( 207) = ( 0.4000000 0.3449085 0.0000000), wk = 0.0024213 k( 208) = ( 0.4100000 0.3535312 0.0000000), wk = 0.0024213 k( 209) = ( 0.4200000 0.3621539 0.0000000), wk = 0.0024213 k( 210) = ( 0.4300000 0.3707766 0.0000000), wk = 0.0024213 k( 211) = ( 0.4400000 0.3793994 0.0000000), wk = 0.0024213 k( 212) = ( 0.4500000 0.3880221 0.0000000), wk = 0.0024213 k( 213) = ( 0.4600000 0.3966448 0.0000000), wk = 0.0024213 k( 214) = ( 0.4700000 0.4052675 0.0000000), wk = 0.0024213 k( 215) = ( 0.4800000 0.4138902 0.0000000), wk = 0.0024213 k( 216) = ( 0.4900000 0.4225129 0.0000000), wk = 0.0024213 k( 217) = ( 0.5000000 0.4311356 0.0000000), wk = 0.0024213 k( 218) = ( 0.5000000 0.4311356 0.0000000), wk = 0.0024213 k( 219) = ( 0.4939592 0.4381413 0.0092505), wk = 0.0024213 k( 220) = ( 0.4879184 0.4451470 0.0185009), wk = 0.0024213 k( 221) = ( 0.4818776 0.4521527 0.0277514), wk = 0.0024213 k( 222) = ( 0.4758368 0.4591584 0.0370019), wk = 0.0024213 k( 223) = ( 0.4697960 0.4661641 0.0462523), wk = 0.0024213 k( 224) = ( 0.4637552 0.4731698 0.0555028), wk = 0.0024213 k( 225) = ( 0.4577143 0.4801755 0.0647533), wk = 0.0024213 k( 226) = ( 0.4516735 0.4871812 0.0740037), wk = 0.0024213 k( 227) = ( 0.4456327 0.4941869 0.0832542), wk = 0.0024213 k( 228) = ( 0.4395919 0.5011926 0.0925047), wk = 0.0024213 k( 229) = ( 0.4335511 0.5081983 0.1017551), wk = 0.0024213 k( 230) = ( 0.4275103 0.5152040 0.1110056), wk = 0.0024213 k( 231) = ( 0.4214695 0.5222097 0.1202561), wk = 0.0024213 k( 232) = ( 0.4154287 0.5292154 0.1295065), wk = 0.0024213 k( 233) = ( 0.4093879 0.5362210 0.1387570), wk = 0.0024213 k( 234) = ( 0.4033471 0.5432267 0.1480075), wk = 0.0024213 k( 235) = ( 0.3973063 0.5502324 0.1572579), wk = 0.0024213 k( 236) = ( 0.3912654 0.5572381 0.1665084), wk = 0.0024213 k( 237) = ( 0.3852246 0.5642438 0.1757589), wk = 0.0024213 k( 238) = ( 0.3791838 0.5712495 0.1850093), wk = 0.0024213 k( 239) = ( 0.3731430 0.5782552 0.1942598), wk = 0.0024213 k( 240) = ( 0.3671022 0.5852609 0.2035102), wk = 0.0024213 k( 241) = ( 0.3610614 0.5922666 0.2127607), wk = 0.0024213 k( 242) = ( 0.3550206 0.5992723 0.2220112), wk = 0.0024213 k( 243) = ( 0.3489798 0.6062780 0.2312616), wk = 0.0024213 k( 244) = ( 0.3429390 0.6132837 0.2405121), wk = 0.0024213 k( 245) = ( 0.3429390 0.6132837 0.2405121), wk = 0.0024213 k( 246) = ( 0.3311135 0.6095670 0.2454197), wk = 0.0024213 k( 247) = ( 0.3192880 0.6058503 0.2503273), wk = 0.0024213 k( 248) = ( 0.3074625 0.6021336 0.2552349), wk = 0.0024213 k( 249) = ( 0.2956370 0.5984169 0.2601425), wk = 0.0024213 k( 250) = ( 0.2838116 0.5947003 0.2650501), wk = 0.0024213 k( 251) = ( 0.2719861 0.5909836 0.2699577), wk = 0.0024213 k( 252) = ( 0.2601606 0.5872669 0.2748653), wk = 0.0024213 k( 253) = ( 0.2483351 0.5835502 0.2797728), wk = 0.0024213 k( 254) = ( 0.2365096 0.5798335 0.2846804), wk = 0.0024213 k( 255) = ( 0.2246841 0.5761168 0.2895880), wk = 0.0024213 k( 256) = ( 0.2128587 0.5724001 0.2944956), wk = 0.0024213 k( 257) = ( 0.2010332 0.5686834 0.2994032), wk = 0.0024213 k( 258) = ( 0.1892077 0.5649668 0.3043108), wk = 0.0024213 k( 259) = ( 0.1773822 0.5612501 0.3092184), wk = 0.0024213 k( 260) = ( 0.1655567 0.5575334 0.3141260), wk = 0.0024213 k( 261) = ( 0.1537313 0.5538167 0.3190336), wk = 0.0024213 k( 262) = ( 0.1419058 0.5501000 0.3239412), wk = 0.0024213 k( 263) = ( 0.1300803 0.5463833 0.3288488), wk = 0.0024213 k( 264) = ( 0.1182548 0.5426666 0.3337564), wk = 0.0024213 k( 265) = ( 0.1064293 0.5389500 0.3386639), wk = 0.0024213 k( 266) = ( 0.0946039 0.5352333 0.3435715), wk = 0.0024213 k( 267) = ( 0.0827784 0.5315166 0.3484791), wk = 0.0024213 k( 268) = ( 0.0709529 0.5277999 0.3533867), wk = 0.0024213 k( 269) = ( 0.0591274 0.5240832 0.3582943), wk = 0.0024213 k( 270) = ( 0.0473019 0.5203665 0.3632019), wk = 0.0024213 k( 271) = ( 0.0354764 0.5166498 0.3681095), wk = 0.0024213 k( 272) = ( 0.0236510 0.5129332 0.3730171), wk = 0.0024213 k( 273) = ( 0.0118255 0.5092165 0.3779247), wk = 0.0024213 k( 274) = ( 0.0000000 0.5054998 0.3828323), wk = 0.0024213 k( 275) = ( 0.0000000 0.5054998 0.3828323), wk = 0.0024213 k( 276) = ( 0.0060976 0.4984283 0.3921696), wk = 0.0024213 k( 277) = ( 0.0121951 0.4913568 0.4015070), wk = 0.0024213 k( 278) = ( 0.0182927 0.4842852 0.4108444), wk = 0.0024213 k( 279) = ( 0.0243902 0.4772137 0.4201817), wk = 0.0024213 k( 280) = ( 0.0304878 0.4701422 0.4295191), wk = 0.0024213 k( 281) = ( 0.0365854 0.4630707 0.4388565), wk = 0.0024213 k( 282) = ( 0.0426829 0.4559992 0.4481939), wk = 0.0024213 k( 283) = ( 0.0487805 0.4489277 0.4575312), wk = 0.0024213 k( 284) = ( 0.0548780 0.4418562 0.4668686), wk = 0.0024213 k( 285) = ( 0.0609756 0.4347847 0.4762060), wk = 0.0024213 k( 286) = ( 0.0670732 0.4277132 0.4855434), wk = 0.0024213 k( 287) = ( 0.0731707 0.4206416 0.4948807), wk = 0.0024213 k( 288) = ( 0.0792683 0.4135701 0.5042181), wk = 0.0024213 k( 289) = ( 0.0853658 0.4064986 0.5135555), wk = 0.0024213 k( 290) = ( 0.0914634 0.3994271 0.5228928), wk = 0.0024213 k( 291) = ( 0.0975610 0.3923556 0.5322302), wk = 0.0024213 k( 292) = ( 0.1036585 0.3852841 0.5415676), wk = 0.0024213 k( 293) = ( 0.1097561 0.3782126 0.5509050), wk = 0.0024213 k( 294) = ( 0.1158537 0.3711411 0.5602423), wk = 0.0024213 k( 295) = ( 0.1219512 0.3640696 0.5695797), wk = 0.0024213 k( 296) = ( 0.1280488 0.3569980 0.5789171), wk = 0.0024213 k( 297) = ( 0.1341463 0.3499265 0.5882544), wk = 0.0024213 k( 298) = ( 0.1402439 0.3428550 0.5975918), wk = 0.0024213 k( 299) = ( 0.1463415 0.3357835 0.6069292), wk = 0.0024213 k( 300) = ( 0.1524390 0.3287120 0.6162666), wk = 0.0024213 k( 301) = ( 0.1585366 0.3216405 0.6256039), wk = 0.0024213 k( 302) = ( 0.1646342 0.3145690 0.6349413), wk = 0.0024213 k( 303) = ( 0.1707317 0.3074975 0.6442787), wk = 0.0024213 k( 304) = ( 0.1768293 0.3004260 0.6536161), wk = 0.0024213 k( 305) = ( 0.1829268 0.2933544 0.6629534), wk = 0.0024213 k( 306) = ( 0.1890244 0.2862829 0.6722908), wk = 0.0024213 k( 307) = ( 0.1951219 0.2792114 0.6816282), wk = 0.0024213 k( 308) = ( 0.2012195 0.2721399 0.6909655), wk = 0.0024213 k( 309) = ( 0.2073171 0.2650684 0.7003029), wk = 0.0024213 k( 310) = ( 0.2134146 0.2579969 0.7096403), wk = 0.0024213 k( 311) = ( 0.2195122 0.2509254 0.7189777), wk = 0.0024213 k( 312) = ( 0.2256098 0.2438539 0.7283150), wk = 0.0024213 k( 313) = ( 0.2317073 0.2367823 0.7376524), wk = 0.0024213 k( 314) = ( 0.2378049 0.2297108 0.7469898), wk = 0.0024213 k( 315) = ( 0.2439024 0.2226393 0.7563272), wk = 0.0024213 k( 316) = ( 0.2500000 0.2155678 0.7656645), wk = 0.0024213 k( 317) = ( 0.2500000 0.2155678 0.7656645), wk = 0.0024213 k( 318) = ( 0.2575758 0.2221002 0.7570391), wk = 0.0024213 k( 319) = ( 0.2651515 0.2286325 0.7484136), wk = 0.0024213 k( 320) = ( 0.2727273 0.2351649 0.7397881), wk = 0.0024213 k( 321) = ( 0.2803030 0.2416973 0.7311627), wk = 0.0024213 k( 322) = ( 0.2878788 0.2482296 0.7225372), wk = 0.0024213 k( 323) = ( 0.2954545 0.2547620 0.7139118), wk = 0.0024213 k( 324) = ( 0.3030303 0.2612943 0.7052863), wk = 0.0024213 k( 325) = ( 0.3106061 0.2678267 0.6966608), wk = 0.0024213 k( 326) = ( 0.3181818 0.2743590 0.6880354), wk = 0.0024213 k( 327) = ( 0.3257576 0.2808914 0.6794099), wk = 0.0024213 k( 328) = ( 0.3333333 0.2874238 0.6707844), wk = 0.0024213 k( 329) = ( 0.3409091 0.2939561 0.6621590), wk = 0.0024213 k( 330) = ( 0.3484849 0.3004885 0.6535335), wk = 0.0024213 k( 331) = ( 0.3560606 0.3070208 0.6449080), wk = 0.0024213 k( 332) = ( 0.3636364 0.3135532 0.6362826), wk = 0.0024213 k( 333) = ( 0.3712121 0.3200855 0.6276571), wk = 0.0024213 k( 334) = ( 0.3787879 0.3266179 0.6190317), wk = 0.0024213 k( 335) = ( 0.3863636 0.3331503 0.6104062), wk = 0.0024213 k( 336) = ( 0.3939394 0.3396826 0.6017807), wk = 0.0024213 k( 337) = ( 0.4015151 0.3462150 0.5931553), wk = 0.0024213 k( 338) = ( 0.4090909 0.3527473 0.5845298), wk = 0.0024213 k( 339) = ( 0.4166667 0.3592797 0.5759043), wk = 0.0024213 k( 340) = ( 0.4242424 0.3658121 0.5672789), wk = 0.0024213 k( 341) = ( 0.4318182 0.3723444 0.5586534), wk = 0.0024213 k( 342) = ( 0.4393939 0.3788768 0.5500279), wk = 0.0024213 k( 343) = ( 0.4469697 0.3854091 0.5414025), wk = 0.0024213 k( 344) = ( 0.4545455 0.3919415 0.5327770), wk = 0.0024213 k( 345) = ( 0.4621212 0.3984738 0.5241515), wk = 0.0024213 k( 346) = ( 0.4696970 0.4050062 0.5155261), wk = 0.0024213 k( 347) = ( 0.4772727 0.4115386 0.5069006), wk = 0.0024213 k( 348) = ( 0.4848485 0.4180709 0.4982752), wk = 0.0024213 k( 349) = ( 0.4924242 0.4246033 0.4896497), wk = 0.0024213 k( 350) = ( 0.5000000 0.4311356 0.4810242), wk = 0.0024213 k( 351) = ( 0.5000000 0.4311356 0.4810242), wk = 0.0024213 k( 352) = ( 0.5000000 0.4311356 0.4676625), wk = 0.0024213 k( 353) = ( 0.5000000 0.4311356 0.4543007), wk = 0.0024213 k( 354) = ( 0.5000000 0.4311356 0.4409389), wk = 0.0024213 k( 355) = ( 0.5000000 0.4311356 0.4275771), wk = 0.0024213 k( 356) = ( 0.5000000 0.4311356 0.4142153), wk = 0.0024213 k( 357) = ( 0.5000000 0.4311356 0.4008535), wk = 0.0024213 k( 358) = ( 0.5000000 0.4311356 0.3874917), wk = 0.0024213 k( 359) = ( 0.5000000 0.4311356 0.3741300), wk = 0.0024213 k( 360) = ( 0.5000000 0.4311356 0.3607682), wk = 0.0024213 k( 361) = ( 0.5000000 0.4311356 0.3474064), wk = 0.0024213 k( 362) = ( 0.5000000 0.4311356 0.3340446), wk = 0.0024213 k( 363) = ( 0.5000000 0.4311356 0.3206828), wk = 0.0024213 k( 364) = ( 0.5000000 0.4311356 0.3073210), wk = 0.0024213 k( 365) = ( 0.5000000 0.4311356 0.2939593), wk = 0.0024213 k( 366) = ( 0.5000000 0.4311356 0.2805975), wk = 0.0024213 k( 367) = ( 0.5000000 0.4311356 0.2672357), wk = 0.0024213 k( 368) = ( 0.5000000 0.4311356 0.2538739), wk = 0.0024213 k( 369) = ( 0.5000000 0.4311356 0.2405121), wk = 0.0024213 k( 370) = ( 0.5000000 0.4311356 0.2271503), wk = 0.0024213 k( 371) = ( 0.5000000 0.4311356 0.2137885), wk = 0.0024213 k( 372) = ( 0.5000000 0.4311356 0.2004268), wk = 0.0024213 k( 373) = ( 0.5000000 0.4311356 0.1870650), wk = 0.0024213 k( 374) = ( 0.5000000 0.4311356 0.1737032), wk = 0.0024213 k( 375) = ( 0.5000000 0.4311356 0.1603414), wk = 0.0024213 k( 376) = ( 0.5000000 0.4311356 0.1469796), wk = 0.0024213 k( 377) = ( 0.5000000 0.4311356 0.1336178), wk = 0.0024213 k( 378) = ( 0.5000000 0.4311356 0.1202561), wk = 0.0024213 k( 379) = ( 0.5000000 0.4311356 0.1068943), wk = 0.0024213 k( 380) = ( 0.5000000 0.4311356 0.0935325), wk = 0.0024213 k( 381) = ( 0.5000000 0.4311356 0.0801707), wk = 0.0024213 k( 382) = ( 0.5000000 0.4311356 0.0668089), wk = 0.0024213 k( 383) = ( 0.5000000 0.4311356 0.0534471), wk = 0.0024213 k( 384) = ( 0.5000000 0.4311356 0.0400854), wk = 0.0024213 k( 385) = ( 0.5000000 0.4311356 0.0267236), wk = 0.0024213 k( 386) = ( 0.5000000 0.4311356 0.0133618), wk = 0.0024213 k( 387) = ( 0.5000000 0.4311356 0.0000000), wk = 0.0024213 k( 388) = ( 0.0000000 0.0000000 0.7656645), wk = 0.0024213 k( 389) = ( 0.0100000 0.0086227 0.7656645), wk = 0.0024213 k( 390) = ( 0.0200000 0.0172454 0.7656645), wk = 0.0024213 k( 391) = ( 0.0300000 0.0258681 0.7656645), wk = 0.0024213 k( 392) = ( 0.0400000 0.0344909 0.7656645), wk = 0.0024213 k( 393) = ( 0.0500000 0.0431136 0.7656645), wk = 0.0024213 k( 394) = ( 0.0600000 0.0517363 0.7656645), wk = 0.0024213 k( 395) = ( 0.0700000 0.0603590 0.7656645), wk = 0.0024213 k( 396) = ( 0.0800000 0.0689817 0.7656645), wk = 0.0024213 k( 397) = ( 0.0900000 0.0776044 0.7656645), wk = 0.0024213 k( 398) = ( 0.1000000 0.0862271 0.7656645), wk = 0.0024213 k( 399) = ( 0.1100000 0.0948498 0.7656645), wk = 0.0024213 k( 400) = ( 0.1200000 0.1034726 0.7656645), wk = 0.0024213 k( 401) = ( 0.1300000 0.1120953 0.7656645), wk = 0.0024213 k( 402) = ( 0.1400000 0.1207180 0.7656645), wk = 0.0024213 k( 403) = ( 0.1500000 0.1293407 0.7656645), wk = 0.0024213 k( 404) = ( 0.1600000 0.1379634 0.7656645), wk = 0.0024213 k( 405) = ( 0.1700000 0.1465861 0.7656645), wk = 0.0024213 k( 406) = ( 0.1800000 0.1552088 0.7656645), wk = 0.0024213 k( 407) = ( 0.1900000 0.1638315 0.7656645), wk = 0.0024213 k( 408) = ( 0.2000000 0.1724543 0.7656645), wk = 0.0024213 k( 409) = ( 0.2100000 0.1810770 0.7656645), wk = 0.0024213 k( 410) = ( 0.2200000 0.1896997 0.7656645), wk = 0.0024213 k( 411) = ( 0.2300000 0.1983224 0.7656645), wk = 0.0024213 k( 412) = ( 0.2400000 0.2069451 0.7656645), wk = 0.0024213 k( 413) = ( 0.2500000 0.2155678 0.7656645), wk = 0.0024213 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 2) = ( 0.0000000 0.0000000 0.0086207), wk = 0.0024213 k( 3) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0024213 k( 4) = ( 0.0000000 0.0000000 0.0258621), wk = 0.0024213 k( 5) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0024213 k( 6) = ( 0.0000000 0.0000000 0.0431035), wk = 0.0024213 k( 7) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0024213 k( 8) = ( 0.0000000 0.0000000 0.0603448), wk = 0.0024213 k( 9) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0024213 k( 10) = ( 0.0000000 0.0000000 0.0775862), wk = 0.0024213 k( 11) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0024213 k( 12) = ( 0.0000000 0.0000000 0.0948276), wk = 0.0024213 k( 13) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0024213 k( 14) = ( 0.0000000 0.0000000 0.1120690), wk = 0.0024213 k( 15) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0024213 k( 16) = ( 0.0000000 0.0000000 0.1293103), wk = 0.0024213 k( 17) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0024213 k( 18) = ( 0.0000000 0.0000000 0.1465517), wk = 0.0024213 k( 19) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0024213 k( 20) = ( 0.0000000 0.0000000 0.1637931), wk = 0.0024213 k( 21) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0024213 k( 22) = ( 0.0000000 0.0000000 0.1810345), wk = 0.0024213 k( 23) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0024213 k( 24) = ( 0.0000000 0.0000000 0.1982759), wk = 0.0024213 k( 25) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0024213 k( 26) = ( 0.0000000 0.0000000 0.2155172), wk = 0.0024213 k( 27) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0024213 k( 28) = ( 0.0000000 0.0000000 0.2327586), wk = 0.0024213 k( 29) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0024213 k( 30) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024213 k( 31) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0024213 k( 32) = ( 0.0000000 0.0000000 0.2672414), wk = 0.0024213 k( 33) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0024213 k( 34) = ( 0.0000000 0.0000000 0.2844828), wk = 0.0024213 k( 35) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0024213 k( 36) = ( 0.0000000 0.0000000 0.3017241), wk = 0.0024213 k( 37) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0024213 k( 38) = ( 0.0000000 0.0000000 0.3189655), wk = 0.0024213 k( 39) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0024213 k( 40) = ( 0.0000000 0.0000000 0.3362069), wk = 0.0024213 k( 41) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0024213 k( 42) = ( 0.0000000 0.0000000 0.3534483), wk = 0.0024213 k( 43) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0024213 k( 44) = ( 0.0000000 0.0000000 0.3706897), wk = 0.0024213 k( 45) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0024213 k( 46) = ( 0.0000000 0.0000000 0.3879310), wk = 0.0024213 k( 47) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0024213 k( 48) = ( 0.0000000 0.0000000 0.4051724), wk = 0.0024213 k( 49) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0024213 k( 50) = ( 0.0000000 0.0000000 0.4224138), wk = 0.0024213 k( 51) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0024213 k( 52) = ( 0.0000000 0.0000000 0.4396552), wk = 0.0024213 k( 53) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0024213 k( 54) = ( 0.0000000 0.0000000 0.4568966), wk = 0.0024213 k( 55) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0024213 k( 56) = ( 0.0000000 0.0000000 0.4741379), wk = 0.0024213 k( 57) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0024213 k( 58) = ( 0.0000000 0.0000000 0.4913793), wk = 0.0024213 k( 59) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 60) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 61) = ( -0.0084490 0.0084490 0.5000000), wk = 0.0024213 k( 62) = ( -0.0168980 0.0168980 0.5000000), wk = 0.0024213 k( 63) = ( -0.0253470 0.0253470 0.5000000), wk = 0.0024213 k( 64) = ( -0.0337960 0.0337960 0.5000000), wk = 0.0024213 k( 65) = ( -0.0422450 0.0422450 0.5000000), wk = 0.0024213 k( 66) = ( -0.0506940 0.0506940 0.5000000), wk = 0.0024213 k( 67) = ( -0.0591430 0.0591430 0.5000000), wk = 0.0024213 k( 68) = ( -0.0675920 0.0675920 0.5000000), wk = 0.0024213 k( 69) = ( -0.0760410 0.0760410 0.5000000), wk = 0.0024213 k( 70) = ( -0.0844900 0.0844900 0.5000000), wk = 0.0024213 k( 71) = ( -0.0929390 0.0929390 0.5000000), wk = 0.0024213 k( 72) = ( -0.1013880 0.1013880 0.5000000), wk = 0.0024213 k( 73) = ( -0.1098370 0.1098370 0.5000000), wk = 0.0024213 k( 74) = ( -0.1182860 0.1182860 0.5000000), wk = 0.0024213 k( 75) = ( -0.1267350 0.1267350 0.5000000), wk = 0.0024213 k( 76) = ( -0.1351840 0.1351840 0.5000000), wk = 0.0024213 k( 77) = ( -0.1436330 0.1436330 0.5000000), wk = 0.0024213 k( 78) = ( -0.1520819 0.1520819 0.5000000), wk = 0.0024213 k( 79) = ( -0.1605310 0.1605310 0.5000000), wk = 0.0024213 k( 80) = ( -0.1689799 0.1689799 0.5000000), wk = 0.0024213 k( 81) = ( -0.1774289 0.1774289 0.5000000), wk = 0.0024213 k( 82) = ( -0.1858779 0.1858779 0.5000000), wk = 0.0024213 k( 83) = ( -0.1858779 0.1858779 0.5000000), wk = 0.0024213 k( 84) = ( -0.1919187 0.1919187 0.4939592), wk = 0.0024213 k( 85) = ( -0.1979596 0.1979596 0.4879184), wk = 0.0024213 k( 86) = ( -0.2040004 0.2040004 0.4818776), wk = 0.0024213 k( 87) = ( -0.2100412 0.2100412 0.4758368), wk = 0.0024213 k( 88) = ( -0.2160820 0.2160820 0.4697960), wk = 0.0024213 k( 89) = ( -0.2221228 0.2221228 0.4637552), wk = 0.0024213 k( 90) = ( -0.2281636 0.2281636 0.4577143), wk = 0.0024213 k( 91) = ( -0.2342044 0.2342044 0.4516735), wk = 0.0024213 k( 92) = ( -0.2402452 0.2402452 0.4456327), wk = 0.0024213 k( 93) = ( -0.2462860 0.2462860 0.4395919), wk = 0.0024213 k( 94) = ( -0.2523268 0.2523268 0.4335511), wk = 0.0024213 k( 95) = ( -0.2583677 0.2583677 0.4275103), wk = 0.0024213 k( 96) = ( -0.2644085 0.2644085 0.4214695), wk = 0.0024213 k( 97) = ( -0.2704493 0.2704493 0.4154287), wk = 0.0024213 k( 98) = ( -0.2764901 0.2764901 0.4093879), wk = 0.0024213 k( 99) = ( -0.2825309 0.2825309 0.4033471), wk = 0.0024213 k( 100) = ( -0.2885717 0.2885717 0.3973062), wk = 0.0024213 k( 101) = ( -0.2946125 0.2946125 0.3912654), wk = 0.0024213 k( 102) = ( -0.3006533 0.3006533 0.3852246), wk = 0.0024213 k( 103) = ( -0.3066941 0.3066941 0.3791838), wk = 0.0024213 k( 104) = ( -0.3127349 0.3127349 0.3731430), wk = 0.0024213 k( 105) = ( -0.3187757 0.3187757 0.3671022), wk = 0.0024213 k( 106) = ( -0.3248165 0.3248165 0.3610614), wk = 0.0024213 k( 107) = ( -0.3308573 0.3308573 0.3550206), wk = 0.0024213 k( 108) = ( -0.3368982 0.3368982 0.3489798), wk = 0.0024213 k( 109) = ( -0.3429390 0.3429390 0.3429390), wk = 0.0024213 k( 110) = ( -0.3429390 0.3429390 0.3429390), wk = 0.0024213 k( 111) = ( -0.3368151 0.3368151 0.3368151), wk = 0.0024213 k( 112) = ( -0.3306911 0.3306911 0.3306912), wk = 0.0024213 k( 113) = ( -0.3245672 0.3245672 0.3245672), wk = 0.0024213 k( 114) = ( -0.3184433 0.3184433 0.3184433), wk = 0.0024213 k( 115) = ( -0.3123194 0.3123194 0.3123194), wk = 0.0024213 k( 116) = ( -0.3061955 0.3061955 0.3061955), wk = 0.0024213 k( 117) = ( -0.3000716 0.3000716 0.3000716), wk = 0.0024213 k( 118) = ( -0.2939477 0.2939477 0.2939477), wk = 0.0024213 k( 119) = ( -0.2878238 0.2878238 0.2878238), wk = 0.0024213 k( 120) = ( -0.2816999 0.2816999 0.2816999), wk = 0.0024213 k( 121) = ( -0.2755760 0.2755760 0.2755760), wk = 0.0024213 k( 122) = ( -0.2694520 0.2694520 0.2694520), wk = 0.0024213 k( 123) = ( -0.2633281 0.2633281 0.2633281), wk = 0.0024213 k( 124) = ( -0.2572042 0.2572042 0.2572042), wk = 0.0024213 k( 125) = ( -0.2510803 0.2510803 0.2510803), wk = 0.0024213 k( 126) = ( -0.2449564 0.2449564 0.2449564), wk = 0.0024213 k( 127) = ( -0.2388325 0.2388325 0.2388325), wk = 0.0024213 k( 128) = ( -0.2327086 0.2327086 0.2327086), wk = 0.0024213 k( 129) = ( -0.2265847 0.2265847 0.2265847), wk = 0.0024213 k( 130) = ( -0.2204608 0.2204608 0.2204608), wk = 0.0024213 k( 131) = ( -0.2143369 0.2143369 0.2143369), wk = 0.0024213 k( 132) = ( -0.2082130 0.2082130 0.2082129), wk = 0.0024213 k( 133) = ( -0.2020890 0.2020890 0.2020890), wk = 0.0024213 k( 134) = ( -0.1959651 0.1959651 0.1959651), wk = 0.0024213 k( 135) = ( -0.1898412 0.1898412 0.1898412), wk = 0.0024213 k( 136) = ( -0.1837173 0.1837173 0.1837173), wk = 0.0024213 k( 137) = ( -0.1775934 0.1775934 0.1775934), wk = 0.0024213 k( 138) = ( -0.1714695 0.1714695 0.1714695), wk = 0.0024213 k( 139) = ( -0.1653456 0.1653456 0.1653456), wk = 0.0024213 k( 140) = ( -0.1592217 0.1592217 0.1592217), wk = 0.0024213 k( 141) = ( -0.1530978 0.1530978 0.1530977), wk = 0.0024213 k( 142) = ( -0.1469738 0.1469738 0.1469738), wk = 0.0024213 k( 143) = ( -0.1408499 0.1408499 0.1408499), wk = 0.0024213 k( 144) = ( -0.1347260 0.1347260 0.1347260), wk = 0.0024213 k( 145) = ( -0.1286021 0.1286021 0.1286021), wk = 0.0024213 k( 146) = ( -0.1224782 0.1224782 0.1224782), wk = 0.0024213 k( 147) = ( -0.1163543 0.1163543 0.1163543), wk = 0.0024213 k( 148) = ( -0.1102304 0.1102304 0.1102304), wk = 0.0024213 k( 149) = ( -0.1041065 0.1041065 0.1041065), wk = 0.0024213 k( 150) = ( -0.0979826 0.0979826 0.0979826), wk = 0.0024213 k( 151) = ( -0.0918587 0.0918587 0.0918587), wk = 0.0024213 k( 152) = ( -0.0857347 0.0857347 0.0857347), wk = 0.0024213 k( 153) = ( -0.0796108 0.0796108 0.0796108), wk = 0.0024213 k( 154) = ( -0.0734869 0.0734869 0.0734869), wk = 0.0024213 k( 155) = ( -0.0673630 0.0673630 0.0673630), wk = 0.0024213 k( 156) = ( -0.0612391 0.0612391 0.0612391), wk = 0.0024213 k( 157) = ( -0.0551152 0.0551152 0.0551152), wk = 0.0024213 k( 158) = ( -0.0489913 0.0489913 0.0489913), wk = 0.0024213 k( 159) = ( -0.0428674 0.0428674 0.0428674), wk = 0.0024213 k( 160) = ( -0.0367435 0.0367435 0.0367435), wk = 0.0024213 k( 161) = ( -0.0306195 0.0306195 0.0306195), wk = 0.0024213 k( 162) = ( -0.0244956 0.0244956 0.0244956), wk = 0.0024213 k( 163) = ( -0.0183717 0.0183717 0.0183717), wk = 0.0024213 k( 164) = ( -0.0122478 0.0122478 0.0122478), wk = 0.0024213 k( 165) = ( -0.0061239 0.0061239 0.0061239), wk = 0.0024213 k( 166) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024213 k( 168) = ( 0.0100000 0.0100000 -0.0100000), wk = 0.0024213 k( 169) = ( 0.0200000 0.0200000 -0.0200000), wk = 0.0024213 k( 170) = ( 0.0300000 0.0300000 -0.0300000), wk = 0.0024213 k( 171) = ( 0.0400000 0.0400000 -0.0400000), wk = 0.0024213 k( 172) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0024213 k( 173) = ( 0.0600000 0.0600000 -0.0600000), wk = 0.0024213 k( 174) = ( 0.0700000 0.0700000 -0.0700000), wk = 0.0024213 k( 175) = ( 0.0800000 0.0800000 -0.0800000), wk = 0.0024213 k( 176) = ( 0.0900000 0.0900000 -0.0900000), wk = 0.0024213 k( 177) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0024213 k( 178) = ( 0.1100000 0.1100000 -0.1100000), wk = 0.0024213 k( 179) = ( 0.1200000 0.1200000 -0.1200000), wk = 0.0024213 k( 180) = ( 0.1300000 0.1300000 -0.1300000), wk = 0.0024213 k( 181) = ( 0.1400000 0.1400000 -0.1400000), wk = 0.0024213 k( 182) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0024213 k( 183) = ( 0.1600000 0.1600000 -0.1600000), wk = 0.0024213 k( 184) = ( 0.1700000 0.1700000 -0.1700000), wk = 0.0024213 k( 185) = ( 0.1800000 0.1800000 -0.1800000), wk = 0.0024213 k( 186) = ( 0.1900000 0.1900000 -0.1900000), wk = 0.0024213 k( 187) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0024213 k( 188) = ( 0.2100000 0.2100000 -0.2100000), wk = 0.0024213 k( 189) = ( 0.2200000 0.2200000 -0.2200000), wk = 0.0024213 k( 190) = ( 0.2300000 0.2300000 -0.2300000), wk = 0.0024213 k( 191) = ( 0.2400000 0.2400000 -0.2400000), wk = 0.0024213 k( 192) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024213 k( 193) = ( 0.2600000 0.2600000 -0.2600000), wk = 0.0024213 k( 194) = ( 0.2700000 0.2700000 -0.2700000), wk = 0.0024213 k( 195) = ( 0.2800000 0.2800000 -0.2800000), wk = 0.0024213 k( 196) = ( 0.2900000 0.2900000 -0.2900000), wk = 0.0024213 k( 197) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0024213 k( 198) = ( 0.3100000 0.3100000 -0.3100000), wk = 0.0024213 k( 199) = ( 0.3200000 0.3200000 -0.3200000), wk = 0.0024213 k( 200) = ( 0.3300000 0.3300000 -0.3300000), wk = 0.0024213 k( 201) = ( 0.3400000 0.3400000 -0.3400000), wk = 0.0024213 k( 202) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0024213 k( 203) = ( 0.3600000 0.3600000 -0.3600000), wk = 0.0024213 k( 204) = ( 0.3700000 0.3700000 -0.3700000), wk = 0.0024213 k( 205) = ( 0.3800000 0.3800000 -0.3800000), wk = 0.0024213 k( 206) = ( 0.3900000 0.3900000 -0.3900000), wk = 0.0024213 k( 207) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0024213 k( 208) = ( 0.4100000 0.4100000 -0.4100000), wk = 0.0024213 k( 209) = ( 0.4200000 0.4200000 -0.4200000), wk = 0.0024213 k( 210) = ( 0.4300000 0.4300000 -0.4300000), wk = 0.0024213 k( 211) = ( 0.4400000 0.4400000 -0.4400000), wk = 0.0024213 k( 212) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0024213 k( 213) = ( 0.4600000 0.4600000 -0.4600000), wk = 0.0024213 k( 214) = ( 0.4700000 0.4700000 -0.4700000), wk = 0.0024213 k( 215) = ( 0.4800000 0.4800000 -0.4800000), wk = 0.0024213 k( 216) = ( 0.4900000 0.4900000 -0.4900000), wk = 0.0024213 k( 217) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 218) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 219) = ( 0.4939592 0.5060408 -0.4939592), wk = 0.0024213 k( 220) = ( 0.4879184 0.5120816 -0.4879184), wk = 0.0024213 k( 221) = ( 0.4818776 0.5181224 -0.4818776), wk = 0.0024213 k( 222) = ( 0.4758368 0.5241632 -0.4758368), wk = 0.0024213 k( 223) = ( 0.4697960 0.5302040 -0.4697960), wk = 0.0024213 k( 224) = ( 0.4637552 0.5362448 -0.4637551), wk = 0.0024213 k( 225) = ( 0.4577143 0.5422857 -0.4577143), wk = 0.0024213 k( 226) = ( 0.4516735 0.5483265 -0.4516735), wk = 0.0024213 k( 227) = ( 0.4456327 0.5543673 -0.4456327), wk = 0.0024213 k( 228) = ( 0.4395919 0.5604081 -0.4395919), wk = 0.0024213 k( 229) = ( 0.4335511 0.5664489 -0.4335511), wk = 0.0024213 k( 230) = ( 0.4275103 0.5724897 -0.4275103), wk = 0.0024213 k( 231) = ( 0.4214695 0.5785305 -0.4214695), wk = 0.0024213 k( 232) = ( 0.4154287 0.5845713 -0.4154287), wk = 0.0024213 k( 233) = ( 0.4093879 0.5906121 -0.4093879), wk = 0.0024213 k( 234) = ( 0.4033471 0.5966529 -0.4033471), wk = 0.0024213 k( 235) = ( 0.3973063 0.6026938 -0.3973062), wk = 0.0024213 k( 236) = ( 0.3912654 0.6087346 -0.3912654), wk = 0.0024213 k( 237) = ( 0.3852246 0.6147754 -0.3852246), wk = 0.0024213 k( 238) = ( 0.3791838 0.6208162 -0.3791838), wk = 0.0024213 k( 239) = ( 0.3731430 0.6268570 -0.3731430), wk = 0.0024213 k( 240) = ( 0.3671022 0.6328978 -0.3671022), wk = 0.0024213 k( 241) = ( 0.3610614 0.6389386 -0.3610614), wk = 0.0024213 k( 242) = ( 0.3550206 0.6449794 -0.3550206), wk = 0.0024213 k( 243) = ( 0.3489798 0.6510202 -0.3489798), wk = 0.0024213 k( 244) = ( 0.3429390 0.6570610 -0.3429390), wk = 0.0024213 k( 245) = ( 0.3429390 0.6570610 -0.3429390), wk = 0.0024213 k( 246) = ( 0.3311135 0.6516451 -0.3311135), wk = 0.0024213 k( 247) = ( 0.3192880 0.6462292 -0.3192880), wk = 0.0024213 k( 248) = ( 0.3074625 0.6408133 -0.3074625), wk = 0.0024213 k( 249) = ( 0.2956370 0.6353974 -0.2956370), wk = 0.0024213 k( 250) = ( 0.2838116 0.6299815 -0.2838116), wk = 0.0024213 k( 251) = ( 0.2719861 0.6245656 -0.2719861), wk = 0.0024213 k( 252) = ( 0.2601606 0.6191498 -0.2601606), wk = 0.0024213 k( 253) = ( 0.2483351 0.6137339 -0.2483351), wk = 0.0024213 k( 254) = ( 0.2365096 0.6083179 -0.2365096), wk = 0.0024213 k( 255) = ( 0.2246841 0.6029020 -0.2246841), wk = 0.0024213 k( 256) = ( 0.2128587 0.5974862 -0.2128587), wk = 0.0024213 k( 257) = ( 0.2010332 0.5920703 -0.2010332), wk = 0.0024213 k( 258) = ( 0.1892077 0.5866544 -0.1892077), wk = 0.0024213 k( 259) = ( 0.1773822 0.5812385 -0.1773822), wk = 0.0024213 k( 260) = ( 0.1655567 0.5758226 -0.1655567), wk = 0.0024213 k( 261) = ( 0.1537313 0.5704067 -0.1537313), wk = 0.0024213 k( 262) = ( 0.1419058 0.5649908 -0.1419058), wk = 0.0024213 k( 263) = ( 0.1300803 0.5595749 -0.1300803), wk = 0.0024213 k( 264) = ( 0.1182548 0.5541590 -0.1182548), wk = 0.0024213 k( 265) = ( 0.1064293 0.5487431 -0.1064293), wk = 0.0024213 k( 266) = ( 0.0946039 0.5433272 -0.0946038), wk = 0.0024213 k( 267) = ( 0.0827784 0.5379113 -0.0827784), wk = 0.0024213 k( 268) = ( 0.0709529 0.5324954 -0.0709529), wk = 0.0024213 k( 269) = ( 0.0591274 0.5270795 -0.0591274), wk = 0.0024213 k( 270) = ( 0.0473019 0.5216636 -0.0473019), wk = 0.0024213 k( 271) = ( 0.0354764 0.5162477 -0.0354764), wk = 0.0024213 k( 272) = ( 0.0236510 0.5108318 -0.0236510), wk = 0.0024213 k( 273) = ( 0.0118255 0.5054159 -0.0118255), wk = 0.0024213 k( 274) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 275) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024213 k( 276) = ( 0.0060976 0.4939024 0.0060976), wk = 0.0024213 k( 277) = ( 0.0121951 0.4878049 0.0121951), wk = 0.0024213 k( 278) = ( 0.0182927 0.4817073 0.0182927), wk = 0.0024213 k( 279) = ( 0.0243902 0.4756098 0.0243902), wk = 0.0024213 k( 280) = ( 0.0304878 0.4695122 0.0304878), wk = 0.0024213 k( 281) = ( 0.0365854 0.4634146 0.0365854), wk = 0.0024213 k( 282) = ( 0.0426829 0.4573171 0.0426829), wk = 0.0024213 k( 283) = ( 0.0487805 0.4512195 0.0487805), wk = 0.0024213 k( 284) = ( 0.0548780 0.4451219 0.0548781), wk = 0.0024213 k( 285) = ( 0.0609756 0.4390244 0.0609756), wk = 0.0024213 k( 286) = ( 0.0670732 0.4329268 0.0670732), wk = 0.0024213 k( 287) = ( 0.0731707 0.4268293 0.0731707), wk = 0.0024213 k( 288) = ( 0.0792683 0.4207317 0.0792683), wk = 0.0024213 k( 289) = ( 0.0853658 0.4146341 0.0853659), wk = 0.0024213 k( 290) = ( 0.0914634 0.4085366 0.0914634), wk = 0.0024213 k( 291) = ( 0.0975610 0.4024390 0.0975610), wk = 0.0024213 k( 292) = ( 0.1036585 0.3963415 0.1036585), wk = 0.0024213 k( 293) = ( 0.1097561 0.3902439 0.1097561), wk = 0.0024213 k( 294) = ( 0.1158537 0.3841463 0.1158537), wk = 0.0024213 k( 295) = ( 0.1219512 0.3780488 0.1219512), wk = 0.0024213 k( 296) = ( 0.1280488 0.3719512 0.1280488), wk = 0.0024213 k( 297) = ( 0.1341463 0.3658537 0.1341463), wk = 0.0024213 k( 298) = ( 0.1402439 0.3597561 0.1402439), wk = 0.0024213 k( 299) = ( 0.1463415 0.3536585 0.1463415), wk = 0.0024213 k( 300) = ( 0.1524390 0.3475610 0.1524390), wk = 0.0024213 k( 301) = ( 0.1585366 0.3414634 0.1585366), wk = 0.0024213 k( 302) = ( 0.1646342 0.3353658 0.1646342), wk = 0.0024213 k( 303) = ( 0.1707317 0.3292683 0.1707317), wk = 0.0024213 k( 304) = ( 0.1768293 0.3231707 0.1768293), wk = 0.0024213 k( 305) = ( 0.1829268 0.3170732 0.1829268), wk = 0.0024213 k( 306) = ( 0.1890244 0.3109756 0.1890244), wk = 0.0024213 k( 307) = ( 0.1951219 0.3048781 0.1951220), wk = 0.0024213 k( 308) = ( 0.2012195 0.2987805 0.2012195), wk = 0.0024213 k( 309) = ( 0.2073171 0.2926829 0.2073171), wk = 0.0024213 k( 310) = ( 0.2134146 0.2865854 0.2134146), wk = 0.0024213 k( 311) = ( 0.2195122 0.2804878 0.2195122), wk = 0.0024213 k( 312) = ( 0.2256098 0.2743902 0.2256098), wk = 0.0024213 k( 313) = ( 0.2317073 0.2682927 0.2317073), wk = 0.0024213 k( 314) = ( 0.2378049 0.2621951 0.2378049), wk = 0.0024213 k( 315) = ( 0.2439024 0.2560976 0.2439024), wk = 0.0024213 k( 316) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 317) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 k( 318) = ( 0.2575758 0.2575758 0.2367916), wk = 0.0024213 k( 319) = ( 0.2651515 0.2651515 0.2235832), wk = 0.0024213 k( 320) = ( 0.2727273 0.2727273 0.2103747), wk = 0.0024213 k( 321) = ( 0.2803030 0.2803030 0.1971663), wk = 0.0024213 k( 322) = ( 0.2878788 0.2878788 0.1839579), wk = 0.0024213 k( 323) = ( 0.2954545 0.2954545 0.1707495), wk = 0.0024213 k( 324) = ( 0.3030303 0.3030303 0.1575410), wk = 0.0024213 k( 325) = ( 0.3106061 0.3106061 0.1443326), wk = 0.0024213 k( 326) = ( 0.3181818 0.3181818 0.1311242), wk = 0.0024213 k( 327) = ( 0.3257576 0.3257576 0.1179158), wk = 0.0024213 k( 328) = ( 0.3333333 0.3333333 0.1047074), wk = 0.0024213 k( 329) = ( 0.3409091 0.3409091 0.0914989), wk = 0.0024213 k( 330) = ( 0.3484849 0.3484848 0.0782905), wk = 0.0024213 k( 331) = ( 0.3560606 0.3560606 0.0650821), wk = 0.0024213 k( 332) = ( 0.3636364 0.3636364 0.0518737), wk = 0.0024213 k( 333) = ( 0.3712121 0.3712121 0.0386652), wk = 0.0024213 k( 334) = ( 0.3787879 0.3787879 0.0254568), wk = 0.0024213 k( 335) = ( 0.3863636 0.3863636 0.0122484), wk = 0.0024213 k( 336) = ( 0.3939394 0.3939394 -0.0009600), wk = 0.0024213 k( 337) = ( 0.4015151 0.4015151 -0.0141684), wk = 0.0024213 k( 338) = ( 0.4090909 0.4090909 -0.0273769), wk = 0.0024213 k( 339) = ( 0.4166667 0.4166667 -0.0405853), wk = 0.0024213 k( 340) = ( 0.4242424 0.4242424 -0.0537937), wk = 0.0024213 k( 341) = ( 0.4318182 0.4318182 -0.0670021), wk = 0.0024213 k( 342) = ( 0.4393939 0.4393939 -0.0802106), wk = 0.0024213 k( 343) = ( 0.4469697 0.4469697 -0.0934190), wk = 0.0024213 k( 344) = ( 0.4545455 0.4545455 -0.1066274), wk = 0.0024213 k( 345) = ( 0.4621212 0.4621212 -0.1198358), wk = 0.0024213 k( 346) = ( 0.4696970 0.4696970 -0.1330442), wk = 0.0024213 k( 347) = ( 0.4772727 0.4772727 -0.1462527), wk = 0.0024213 k( 348) = ( 0.4848485 0.4848485 -0.1594611), wk = 0.0024213 k( 349) = ( 0.4924242 0.4924242 -0.1726695), wk = 0.0024213 k( 350) = ( 0.5000000 0.5000000 -0.1858779), wk = 0.0024213 k( 351) = ( 0.5000000 0.5000000 -0.1858779), wk = 0.0024213 k( 352) = ( 0.5000000 0.5000000 -0.1946035), wk = 0.0024213 k( 353) = ( 0.5000000 0.5000000 -0.2033292), wk = 0.0024213 k( 354) = ( 0.5000000 0.5000000 -0.2120548), wk = 0.0024213 k( 355) = ( 0.5000000 0.5000000 -0.2207804), wk = 0.0024213 k( 356) = ( 0.5000000 0.5000000 -0.2295060), wk = 0.0024213 k( 357) = ( 0.5000000 0.5000000 -0.2382316), wk = 0.0024213 k( 358) = ( 0.5000000 0.5000000 -0.2469572), wk = 0.0024213 k( 359) = ( 0.5000000 0.5000000 -0.2556828), wk = 0.0024213 k( 360) = ( 0.5000000 0.5000000 -0.2644084), wk = 0.0024213 k( 361) = ( 0.5000000 0.5000000 -0.2731341), wk = 0.0024213 k( 362) = ( 0.5000000 0.5000000 -0.2818597), wk = 0.0024213 k( 363) = ( 0.5000000 0.5000000 -0.2905853), wk = 0.0024213 k( 364) = ( 0.5000000 0.5000000 -0.2993109), wk = 0.0024213 k( 365) = ( 0.5000000 0.5000000 -0.3080365), wk = 0.0024213 k( 366) = ( 0.5000000 0.5000000 -0.3167621), wk = 0.0024213 k( 367) = ( 0.5000000 0.5000000 -0.3254877), wk = 0.0024213 k( 368) = ( 0.5000000 0.5000000 -0.3342134), wk = 0.0024213 k( 369) = ( 0.5000000 0.5000000 -0.3429390), wk = 0.0024213 k( 370) = ( 0.5000000 0.5000000 -0.3516646), wk = 0.0024213 k( 371) = ( 0.5000000 0.5000000 -0.3603902), wk = 0.0024213 k( 372) = ( 0.5000000 0.5000000 -0.3691158), wk = 0.0024213 k( 373) = ( 0.5000000 0.5000000 -0.3778414), wk = 0.0024213 k( 374) = ( 0.5000000 0.5000000 -0.3865670), wk = 0.0024213 k( 375) = ( 0.5000000 0.5000000 -0.3952926), wk = 0.0024213 k( 376) = ( 0.5000000 0.5000000 -0.4040183), wk = 0.0024213 k( 377) = ( 0.5000000 0.5000000 -0.4127439), wk = 0.0024213 k( 378) = ( 0.5000000 0.5000000 -0.4214695), wk = 0.0024213 k( 379) = ( 0.5000000 0.5000000 -0.4301951), wk = 0.0024213 k( 380) = ( 0.5000000 0.5000000 -0.4389207), wk = 0.0024213 k( 381) = ( 0.5000000 0.5000000 -0.4476463), wk = 0.0024213 k( 382) = ( 0.5000000 0.5000000 -0.4563719), wk = 0.0024213 k( 383) = ( 0.5000000 0.5000000 -0.4650975), wk = 0.0024213 k( 384) = ( 0.5000000 0.5000000 -0.4738232), wk = 0.0024213 k( 385) = ( 0.5000000 0.5000000 -0.4825488), wk = 0.0024213 k( 386) = ( 0.5000000 0.5000000 -0.4912744), wk = 0.0024213 k( 387) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024213 k( 388) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024213 k( 389) = ( 0.0100000 0.0100000 0.4900000), wk = 0.0024213 k( 390) = ( 0.0200000 0.0200000 0.4800000), wk = 0.0024213 k( 391) = ( 0.0300000 0.0300000 0.4700000), wk = 0.0024213 k( 392) = ( 0.0400000 0.0400000 0.4600000), wk = 0.0024213 k( 393) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0024213 k( 394) = ( 0.0600000 0.0600000 0.4400000), wk = 0.0024213 k( 395) = ( 0.0700000 0.0700000 0.4300000), wk = 0.0024213 k( 396) = ( 0.0800000 0.0800000 0.4200000), wk = 0.0024213 k( 397) = ( 0.0900000 0.0900000 0.4100000), wk = 0.0024213 k( 398) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0024213 k( 399) = ( 0.1100000 0.1100000 0.3900000), wk = 0.0024213 k( 400) = ( 0.1200000 0.1200000 0.3800000), wk = 0.0024213 k( 401) = ( 0.1300000 0.1300000 0.3700000), wk = 0.0024213 k( 402) = ( 0.1400000 0.1400000 0.3600000), wk = 0.0024213 k( 403) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0024213 k( 404) = ( 0.1600000 0.1600000 0.3400000), wk = 0.0024213 k( 405) = ( 0.1700000 0.1700000 0.3300000), wk = 0.0024213 k( 406) = ( 0.1800000 0.1800000 0.3200000), wk = 0.0024213 k( 407) = ( 0.1900000 0.1900000 0.3100000), wk = 0.0024213 k( 408) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0024213 k( 409) = ( 0.2100000 0.2100000 0.2900000), wk = 0.0024213 k( 410) = ( 0.2200000 0.2200000 0.2800000), wk = 0.0024213 k( 411) = ( 0.2300000 0.2300000 0.2700000), wk = 0.0024213 k( 412) = ( 0.2400000 0.2400000 0.2600000), wk = 0.0024213 k( 413) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024213 Dense grid: 32467 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 13755 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 78, 26) NL pseudopotentials 0.04 Mb ( 39, 62) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 678) G-vector shells 0.00 Mb ( 316) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 78, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.05 Mb ( 62, 2, 26) Check: negative/imaginary core charge= -0.000008 0.000000 The potential is recalculated from file : ./CaC2.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.7 secs Computing kpt #: 2 total cpu time spent up to now is 42.2 secs Computing kpt #: 3 total cpu time spent up to now is 42.7 secs Computing kpt #: 4 total cpu time spent up to now is 43.2 secs Computing kpt #: 5 total cpu time spent up to now is 43.7 secs Computing kpt #: 6 total cpu time spent up to now is 44.2 secs Computing kpt #: 7 total cpu time spent up to now is 44.7 secs Computing kpt #: 8 total cpu time spent up to now is 45.2 secs Computing kpt #: 9 total cpu time spent up to now is 45.7 secs Computing kpt #: 10 total cpu time spent up to now is 46.2 secs Computing kpt #: 11 total cpu time spent up to now is 46.7 secs Computing kpt #: 12 total cpu time spent up to now is 47.2 secs Computing kpt #: 13 total cpu time spent up to now is 47.8 secs Computing kpt #: 14 total cpu time spent up to now is 48.3 secs Computing kpt #: 15 total cpu time spent up to now is 48.8 secs Computing kpt #: 16 total cpu time spent up to now is 49.4 secs Computing kpt #: 17 total cpu time spent up to now is 50.0 secs Computing kpt #: 18 total cpu time spent up to now is 50.5 secs Computing kpt #: 19 total cpu time spent up to now is 51.1 secs Computing kpt #: 20 total cpu time spent up to now is 51.7 secs Computing kpt #: 21 total cpu time spent up to now is 52.2 secs Computing kpt #: 22 total cpu time spent up to now is 52.7 secs Computing kpt #: 23 total cpu time spent up to now is 53.2 secs Computing kpt #: 24 total cpu time spent up to now is 53.7 secs Computing kpt #: 25 total cpu time spent up to now is 54.2 secs Computing kpt #: 26 total cpu time spent up to now is 54.7 secs Computing kpt #: 27 total cpu time spent up to now is 55.2 secs Computing kpt #: 28 total cpu time spent up to now is 55.7 secs Computing kpt #: 29 total cpu time spent up to now is 56.3 secs Computing kpt #: 30 total cpu time spent up to now is 56.8 secs Computing kpt #: 31 total cpu time spent up to now is 57.3 secs Computing kpt #: 32 total cpu time spent up to now is 57.8 secs Computing kpt #: 33 total cpu time spent up to now is 58.3 secs Computing kpt #: 34 total cpu time spent up to now is 58.9 secs Computing kpt #: 35 total cpu time spent up to now is 59.5 secs Computing kpt #: 36 total cpu time spent up to now is 60.1 secs Computing kpt #: 37 total cpu time spent up to now is 60.8 secs Computing kpt #: 38 total cpu time spent up to now is 61.5 secs Computing kpt #: 39 total cpu time spent up to now is 62.2 secs Computing kpt #: 40 total cpu time spent up to now is 62.9 secs Computing kpt #: 41 total cpu time spent up to now is 63.6 secs Computing kpt #: 42 total cpu time spent up to now is 64.2 secs Computing kpt #: 43 total cpu time spent up to now is 64.9 secs Computing kpt #: 44 total cpu time spent up to now is 65.5 secs Computing kpt #: 45 total cpu time spent up to now is 66.2 secs Computing kpt #: 46 total cpu time spent up to now is 66.8 secs Computing kpt #: 47 total cpu time spent up to now is 67.5 secs Computing kpt #: 48 total cpu time spent up to now is 68.2 secs Computing kpt #: 49 total cpu time spent up to now is 68.8 secs Computing kpt #: 50 total cpu time spent up to now is 69.5 secs Computing kpt #: 51 total cpu time spent up to now is 70.2 secs Computing kpt #: 52 total cpu time spent up to now is 70.9 secs Computing kpt #: 53 total cpu time spent up to now is 71.5 secs Computing kpt #: 54 total cpu time spent up to now is 72.2 secs Computing kpt #: 55 total cpu time spent up to now is 72.8 secs Computing kpt #: 56 total cpu time spent up to now is 73.3 secs Computing kpt #: 57 total cpu time spent up to now is 74.0 secs Computing kpt #: 58 total cpu time spent up to now is 74.5 secs Computing kpt #: 59 total cpu time spent up to now is 75.0 secs Computing kpt #: 60 total cpu time spent up to now is 75.6 secs Computing kpt #: 61 total cpu time spent up to now is 76.1 secs Computing kpt #: 62 total cpu time spent up to now is 76.7 secs Computing kpt #: 63 total cpu time spent up to now is 77.3 secs Computing kpt #: 64 total cpu time spent up to now is 78.1 secs Computing kpt #: 65 total cpu time spent up to now is 78.8 secs Computing kpt #: 66 total cpu time spent up to now is 79.5 secs Computing kpt #: 67 total cpu time spent up to now is 80.2 secs Computing kpt #: 68 total cpu time spent up to now is 80.9 secs Computing kpt #: 69 total cpu time spent up to now is 81.6 secs Computing kpt #: 70 total cpu time spent up to now is 82.2 secs Computing kpt #: 71 total cpu time spent up to now is 82.8 secs Computing kpt #: 72 total cpu time spent up to now is 83.4 secs Computing kpt #: 73 total cpu time spent up to now is 84.0 secs Computing kpt #: 74 total cpu time spent up to now is 84.6 secs Computing kpt #: 75 total cpu time spent up to now is 85.2 secs Computing kpt #: 76 total cpu time spent up to now is 85.8 secs Computing kpt #: 77 total cpu time spent up to now is 86.3 secs Computing kpt #: 78 total cpu time spent up to now is 86.9 secs Computing kpt #: 79 total cpu time spent up to now is 87.5 secs Computing kpt #: 80 total cpu time spent up to now is 88.0 secs Computing kpt #: 81 total cpu time spent up to now is 88.5 secs Computing kpt #: 82 total cpu time spent up to now is 89.1 secs Computing kpt #: 83 total cpu time spent up to now is 89.6 secs Computing kpt #: 84 total cpu time spent up to now is 90.1 secs Computing kpt #: 85 total cpu time spent up to now is 90.7 secs Computing kpt #: 86 total cpu time spent up to now is 91.2 secs Computing kpt #: 87 total cpu time spent up to now is 91.7 secs Computing kpt #: 88 total cpu time spent up to now is 92.2 secs Computing kpt #: 89 total cpu time spent up to now is 92.7 secs Computing kpt #: 90 total cpu time spent up to now is 93.2 secs Computing kpt #: 91 total cpu time spent up to now is 93.7 secs Computing kpt #: 92 total cpu time spent up to now is 94.2 secs Computing kpt #: 93 total cpu time spent up to now is 94.7 secs Computing kpt #: 94 total cpu time spent up to now is 95.2 secs Computing kpt #: 95 total cpu time spent up to now is 95.8 secs Computing kpt #: 96 total cpu time spent up to now is 96.3 secs Computing kpt #: 97 total cpu time spent up to now is 97.0 secs Computing kpt #: 98 total cpu time spent up to now is 97.6 secs Computing kpt #: 99 total cpu time spent up to now is 98.2 secs Computing kpt #: 100 total cpu time spent up to now is 98.9 secs Computing kpt #: 101 total cpu time spent up to now is 99.6 secs Computing kpt #: 102 total cpu time spent up to now is 100.6 secs Computing kpt #: 103 total cpu time spent up to now is 101.6 secs Computing kpt #: 104 total cpu time spent up to now is 102.6 secs Computing kpt #: 105 total cpu time spent up to now is 103.4 secs Computing kpt #: 106 total cpu time spent up to now is 104.2 secs Computing kpt #: 107 total cpu time spent up to now is 105.0 secs Computing kpt #: 108 total cpu time spent up to now is 105.7 secs Computing kpt #: 109 total cpu time spent up to now is 106.5 secs Computing kpt #: 110 total cpu time spent up to now is 107.2 secs Computing kpt #: 111 total cpu time spent up to now is 107.8 secs Computing kpt #: 112 total cpu time spent up to now is 108.5 secs Computing kpt #: 113 total cpu time spent up to now is 109.3 secs Computing kpt #: 114 total cpu time spent up to now is 110.0 secs Computing kpt #: 115 total cpu time spent up to now is 110.6 secs Computing kpt #: 116 total cpu time spent up to now is 111.3 secs Computing kpt #: 117 total cpu time spent up to now is 111.8 secs Computing kpt #: 118 total cpu time spent up to now is 112.4 secs Computing kpt #: 119 total cpu time spent up to now is 113.0 secs Computing kpt #: 120 total cpu time spent up to now is 113.5 secs Computing kpt #: 121 total cpu time spent up to now is 114.2 secs Computing kpt #: 122 total cpu time spent up to now is 114.9 secs Computing kpt #: 123 total cpu time spent up to now is 115.7 secs Computing kpt #: 124 total cpu time spent up to now is 116.5 secs Computing kpt #: 125 total cpu time spent up to now is 117.3 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.4 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 119.7 secs Computing kpt #: 128 total cpu time spent up to now is 120.4 secs Computing kpt #: 129 total cpu time spent up to now is 121.2 secs Computing kpt #: 130 total cpu time spent up to now is 122.2 secs Computing kpt #: 131 total cpu time spent up to now is 122.7 secs Computing kpt #: 132 total cpu time spent up to now is 123.3 secs Computing kpt #: 133 total cpu time spent up to now is 123.9 secs Computing kpt #: 134 total cpu time spent up to now is 124.5 secs Computing kpt #: 135 total cpu time spent up to now is 125.0 secs Computing kpt #: 136 total cpu time spent up to now is 125.5 secs Computing kpt #: 137 total cpu time spent up to now is 126.2 secs Computing kpt #: 138 total cpu time spent up to now is 126.8 secs Computing kpt #: 139 total cpu time spent up to now is 127.4 secs Computing kpt #: 140 total cpu time spent up to now is 127.9 secs Computing kpt #: 141 total cpu time spent up to now is 128.5 secs Computing kpt #: 142 total cpu time spent up to now is 129.0 secs Computing kpt #: 143 total cpu time spent up to now is 129.5 secs Computing kpt #: 144 total cpu time spent up to now is 130.0 secs Computing kpt #: 145 total cpu time spent up to now is 130.6 secs Computing kpt #: 146 total cpu time spent up to now is 131.1 secs Computing kpt #: 147 total cpu time spent up to now is 131.6 secs Computing kpt #: 148 total cpu time spent up to now is 132.1 secs Computing kpt #: 149 total cpu time spent up to now is 132.7 secs Computing kpt #: 150 total cpu time spent up to now is 133.2 secs Computing kpt #: 151 total cpu time spent up to now is 133.8 secs Computing kpt #: 152 total cpu time spent up to now is 134.3 secs Computing kpt #: 153 total cpu time spent up to now is 134.8 secs Computing kpt #: 154 total cpu time spent up to now is 135.3 secs Computing kpt #: 155 total cpu time spent up to now is 135.8 secs Computing kpt #: 156 total cpu time spent up to now is 136.3 secs Computing kpt #: 157 total cpu time spent up to now is 136.8 secs Computing kpt #: 158 total cpu time spent up to now is 137.3 secs Computing kpt #: 159 total cpu time spent up to now is 137.8 secs Computing kpt #: 160 total cpu time spent up to now is 138.2 secs Computing kpt #: 161 total cpu time spent up to now is 138.7 secs Computing kpt #: 162 total cpu time spent up to now is 139.2 secs Computing kpt #: 163 total cpu time spent up to now is 139.7 secs Computing kpt #: 164 total cpu time spent up to now is 140.2 secs Computing kpt #: 165 total cpu time spent up to now is 140.6 secs Computing kpt #: 166 total cpu time spent up to now is 141.1 secs Computing kpt #: 167 total cpu time spent up to now is 141.5 secs Computing kpt #: 168 total cpu time spent up to now is 142.0 secs Computing kpt #: 169 total cpu time spent up to now is 142.4 secs Computing kpt #: 170 total cpu time spent up to now is 142.9 secs Computing kpt #: 171 total cpu time spent up to now is 143.3 secs Computing kpt #: 172 total cpu time spent up to now is 143.8 secs Computing kpt #: 173 total cpu time spent up to now is 144.2 secs Computing kpt #: 174 total cpu time spent up to now is 144.7 secs Computing kpt #: 175 total cpu time spent up to now is 145.2 secs Computing kpt #: 176 total cpu time spent up to now is 145.7 secs Computing kpt #: 177 total cpu time spent up to now is 146.1 secs Computing kpt #: 178 total cpu time spent up to now is 146.5 secs Computing kpt #: 179 total cpu time spent up to now is 147.0 secs Computing kpt #: 180 total cpu time spent up to now is 147.4 secs Computing kpt #: 181 total cpu time spent up to now is 147.8 secs Computing kpt #: 182 total cpu time spent up to now is 148.3 secs Computing kpt #: 183 total cpu time spent up to now is 148.7 secs Computing kpt #: 184 total cpu time spent up to now is 149.2 secs Computing kpt #: 185 total cpu time spent up to now is 149.7 secs Computing kpt #: 186 total cpu time spent up to now is 150.2 secs Computing kpt #: 187 total cpu time spent up to now is 150.7 secs Computing kpt #: 188 total cpu time spent up to now is 151.3 secs Computing kpt #: 189 total cpu time spent up to now is 151.8 secs Computing kpt #: 190 total cpu time spent up to now is 152.3 secs Computing kpt #: 191 total cpu time spent up to now is 152.9 secs Computing kpt #: 192 total cpu time spent up to now is 153.3 secs Computing kpt #: 193 total cpu time spent up to now is 154.0 secs Computing kpt #: 194 total cpu time spent up to now is 154.6 secs Computing kpt #: 195 total cpu time spent up to now is 155.2 secs Computing kpt #: 196 total cpu time spent up to now is 155.8 secs Computing kpt #: 197 total cpu time spent up to now is 156.4 secs Computing kpt #: 198 total cpu time spent up to now is 157.0 secs Computing kpt #: 199 total cpu time spent up to now is 157.6 secs Computing kpt #: 200 total cpu time spent up to now is 158.2 secs Computing kpt #: 201 total cpu time spent up to now is 158.8 secs Computing kpt #: 202 total cpu time spent up to now is 159.6 secs Computing kpt #: 203 total cpu time spent up to now is 160.5 secs Computing kpt #: 204 total cpu time spent up to now is 161.4 secs Computing kpt #: 205 total cpu time spent up to now is 162.3 secs Computing kpt #: 206 total cpu time spent up to now is 163.3 secs Computing kpt #: 207 total cpu time spent up to now is 164.3 secs Computing kpt #: 208 total cpu time spent up to now is 165.3 secs Computing kpt #: 209 total cpu time spent up to now is 166.2 secs Computing kpt #: 210 total cpu time spent up to now is 167.0 secs Computing kpt #: 211 total cpu time spent up to now is 167.9 secs Computing kpt #: 212 total cpu time spent up to now is 168.8 secs Computing kpt #: 213 total cpu time spent up to now is 169.6 secs Computing kpt #: 214 total cpu time spent up to now is 170.4 secs Computing kpt #: 215 total cpu time spent up to now is 171.1 secs Computing kpt #: 216 total cpu time spent up to now is 171.9 secs Computing kpt #: 217 total cpu time spent up to now is 172.8 secs Computing kpt #: 218 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 173.9 secs Computing kpt #: 219 total cpu time spent up to now is 174.7 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 175.9 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 177.0 secs Computing kpt #: 222 total cpu time spent up to now is 177.8 secs Computing kpt #: 223 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.9 secs Computing kpt #: 224 total cpu time spent up to now is 180.2 secs Computing kpt #: 225 total cpu time spent up to now is 181.3 secs Computing kpt #: 226 total cpu time spent up to now is 182.4 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 183.5 secs Computing kpt #: 228 total cpu time spent up to now is 184.5 secs Computing kpt #: 229 total cpu time spent up to now is 185.6 secs Computing kpt #: 230 total cpu time spent up to now is 186.7 secs Computing kpt #: 231 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.8 secs Computing kpt #: 232 total cpu time spent up to now is 188.8 secs Computing kpt #: 233 total cpu time spent up to now is 189.6 secs Computing kpt #: 234 total cpu time spent up to now is 190.4 secs Computing kpt #: 235 total cpu time spent up to now is 191.2 secs Computing kpt #: 236 total cpu time spent up to now is 191.8 secs Computing kpt #: 237 total cpu time spent up to now is 192.9 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.0 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.2 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.3 secs Computing kpt #: 241 total cpu time spent up to now is 197.1 secs Computing kpt #: 242 total cpu time spent up to now is 197.9 secs Computing kpt #: 243 total cpu time spent up to now is 198.6 secs Computing kpt #: 244 total cpu time spent up to now is 199.3 secs Computing kpt #: 245 total cpu time spent up to now is 200.1 secs Computing kpt #: 246 total cpu time spent up to now is 200.8 secs Computing kpt #: 247 total cpu time spent up to now is 201.5 secs Computing kpt #: 248 total cpu time spent up to now is 202.1 secs Computing kpt #: 249 total cpu time spent up to now is 202.7 secs Computing kpt #: 250 total cpu time spent up to now is 203.3 secs Computing kpt #: 251 total cpu time spent up to now is 203.9 secs Computing kpt #: 252 total cpu time spent up to now is 204.5 secs Computing kpt #: 253 total cpu time spent up to now is 205.1 secs Computing kpt #: 254 total cpu time spent up to now is 205.7 secs Computing kpt #: 255 total cpu time spent up to now is 206.3 secs Computing kpt #: 256 total cpu time spent up to now is 206.9 secs Computing kpt #: 257 total cpu time spent up to now is 207.4 secs Computing kpt #: 258 total cpu time spent up to now is 208.0 secs Computing kpt #: 259 total cpu time spent up to now is 208.6 secs Computing kpt #: 260 total cpu time spent up to now is 209.2 secs Computing kpt #: 261 total cpu time spent up to now is 209.7 secs Computing kpt #: 262 total cpu time spent up to now is 210.3 secs Computing kpt #: 263 total cpu time spent up to now is 210.9 secs Computing kpt #: 264 total cpu time spent up to now is 211.5 secs Computing kpt #: 265 total cpu time spent up to now is 212.1 secs Computing kpt #: 266 total cpu time spent up to now is 212.8 secs Computing kpt #: 267 total cpu time spent up to now is 213.4 secs Computing kpt #: 268 total cpu time spent up to now is 214.0 secs Computing kpt #: 269 total cpu time spent up to now is 214.6 secs Computing kpt #: 270 total cpu time spent up to now is 215.3 secs Computing kpt #: 271 total cpu time spent up to now is 215.9 secs Computing kpt #: 272 total cpu time spent up to now is 216.6 secs Computing kpt #: 273 total cpu time spent up to now is 217.4 secs Computing kpt #: 274 total cpu time spent up to now is 218.3 secs Computing kpt #: 275 total cpu time spent up to now is 219.4 secs Computing kpt #: 276 total cpu time spent up to now is 220.1 secs Computing kpt #: 277 total cpu time spent up to now is 220.8 secs Computing kpt #: 278 total cpu time spent up to now is 221.4 secs Computing kpt #: 279 total cpu time spent up to now is 222.1 secs Computing kpt #: 280 total cpu time spent up to now is 222.8 secs Computing kpt #: 281 total cpu time spent up to now is 223.6 secs Computing kpt #: 282 total cpu time spent up to now is 224.4 secs Computing kpt #: 283 total cpu time spent up to now is 225.1 secs Computing kpt #: 284 total cpu time spent up to now is 225.8 secs Computing kpt #: 285 total cpu time spent up to now is 226.6 secs Computing kpt #: 286 total cpu time spent up to now is 227.3 secs Computing kpt #: 287 total cpu time spent up to now is 228.0 secs Computing kpt #: 288 total cpu time spent up to now is 228.8 secs Computing kpt #: 289 total cpu time spent up to now is 229.6 secs Computing kpt #: 290 total cpu time spent up to now is 230.3 secs Computing kpt #: 291 total cpu time spent up to now is 231.1 secs Computing kpt #: 292 total cpu time spent up to now is 231.8 secs Computing kpt #: 293 total cpu time spent up to now is 232.5 secs Computing kpt #: 294 total cpu time spent up to now is 233.2 secs Computing kpt #: 295 total cpu time spent up to now is 233.9 secs Computing kpt #: 296 total cpu time spent up to now is 234.6 secs Computing kpt #: 297 total cpu time spent up to now is 235.3 secs Computing kpt #: 298 total cpu time spent up to now is 236.0 secs Computing kpt #: 299 total cpu time spent up to now is 236.7 secs Computing kpt #: 300 total cpu time spent up to now is 237.5 secs Computing kpt #: 301 total cpu time spent up to now is 238.2 secs Computing kpt #: 302 total cpu time spent up to now is 238.9 secs Computing kpt #: 303 total cpu time spent up to now is 239.6 secs Computing kpt #: 304 total cpu time spent up to now is 240.3 secs Computing kpt #: 305 total cpu time spent up to now is 241.1 secs Computing kpt #: 306 total cpu time spent up to now is 241.9 secs Computing kpt #: 307 total cpu time spent up to now is 242.6 secs Computing kpt #: 308 total cpu time spent up to now is 243.3 secs Computing kpt #: 309 total cpu time spent up to now is 244.0 secs Computing kpt #: 310 total cpu time spent up to now is 244.8 secs Computing kpt #: 311 total cpu time spent up to now is 245.6 secs Computing kpt #: 312 total cpu time spent up to now is 246.3 secs Computing kpt #: 313 total cpu time spent up to now is 247.1 secs Computing kpt #: 314 total cpu time spent up to now is 248.2 secs Computing kpt #: 315 total cpu time spent up to now is 249.1 secs Computing kpt #: 316 total cpu time spent up to now is 249.9 secs Computing kpt #: 317 total cpu time spent up to now is 250.6 secs Computing kpt #: 318 total cpu time spent up to now is 251.4 secs Computing kpt #: 319 total cpu time spent up to now is 252.1 secs Computing kpt #: 320 total cpu time spent up to now is 252.9 secs Computing kpt #: 321 total cpu time spent up to now is 253.8 secs Computing kpt #: 322 total cpu time spent up to now is 254.6 secs Computing kpt #: 323 total cpu time spent up to now is 255.3 secs Computing kpt #: 324 total cpu time spent up to now is 256.0 secs Computing kpt #: 325 total cpu time spent up to now is 256.8 secs Computing kpt #: 326 total cpu time spent up to now is 257.5 secs Computing kpt #: 327 total cpu time spent up to now is 258.3 secs Computing kpt #: 328 total cpu time spent up to now is 259.0 secs Computing kpt #: 329 total cpu time spent up to now is 259.8 secs Computing kpt #: 330 total cpu time spent up to now is 260.5 secs Computing kpt #: 331 total cpu time spent up to now is 261.2 secs Computing kpt #: 332 total cpu time spent up to now is 261.9 secs Computing kpt #: 333 total cpu time spent up to now is 262.6 secs Computing kpt #: 334 total cpu time spent up to now is 263.1 secs Computing kpt #: 335 total cpu time spent up to now is 263.8 secs Computing kpt #: 336 total cpu time spent up to now is 264.4 secs Computing kpt #: 337 total cpu time spent up to now is 265.0 secs Computing kpt #: 338 total cpu time spent up to now is 265.5 secs Computing kpt #: 339 total cpu time spent up to now is 266.1 secs Computing kpt #: 340 total cpu time spent up to now is 266.6 secs Computing kpt #: 341 total cpu time spent up to now is 267.2 secs Computing kpt #: 342 total cpu time spent up to now is 267.8 secs Computing kpt #: 343 total cpu time spent up to now is 268.4 secs Computing kpt #: 344 total cpu time spent up to now is 269.0 secs Computing kpt #: 345 total cpu time spent up to now is 269.5 secs Computing kpt #: 346 total cpu time spent up to now is 270.1 secs Computing kpt #: 347 total cpu time spent up to now is 270.7 secs Computing kpt #: 348 total cpu time spent up to now is 271.2 secs Computing kpt #: 349 total cpu time spent up to now is 271.8 secs Computing kpt #: 350 total cpu time spent up to now is 272.3 secs Computing kpt #: 351 total cpu time spent up to now is 272.9 secs Computing kpt #: 352 total cpu time spent up to now is 273.4 secs Computing kpt #: 353 total cpu time spent up to now is 273.9 secs Computing kpt #: 354 total cpu time spent up to now is 274.4 secs Computing kpt #: 355 total cpu time spent up to now is 274.9 secs Computing kpt #: 356 total cpu time spent up to now is 275.4 secs Computing kpt #: 357 total cpu time spent up to now is 275.9 secs Computing kpt #: 358 total cpu time spent up to now is 276.4 secs Computing kpt #: 359 total cpu time spent up to now is 276.9 secs Computing kpt #: 360 total cpu time spent up to now is 277.4 secs Computing kpt #: 361 total cpu time spent up to now is 277.9 secs Computing kpt #: 362 total cpu time spent up to now is 278.5 secs Computing kpt #: 363 total cpu time spent up to now is 279.0 secs Computing kpt #: 364 total cpu time spent up to now is 279.5 secs Computing kpt #: 365 total cpu time spent up to now is 280.0 secs Computing kpt #: 366 total cpu time spent up to now is 280.5 secs Computing kpt #: 367 total cpu time spent up to now is 281.1 secs Computing kpt #: 368 total cpu time spent up to now is 281.6 secs Computing kpt #: 369 total cpu time spent up to now is 282.3 secs Computing kpt #: 370 total cpu time spent up to now is 282.9 secs Computing kpt #: 371 total cpu time spent up to now is 283.5 secs Computing kpt #: 372 total cpu time spent up to now is 284.1 secs Computing kpt #: 373 total cpu time spent up to now is 284.7 secs Computing kpt #: 374 total cpu time spent up to now is 285.5 secs Computing kpt #: 375 total cpu time spent up to now is 286.6 secs Computing kpt #: 376 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 287.7 secs Computing kpt #: 377 total cpu time spent up to now is 288.5 secs Computing kpt #: 378 total cpu time spent up to now is 289.3 secs Computing kpt #: 379 total cpu time spent up to now is 290.3 secs Computing kpt #: 380 total cpu time spent up to now is 291.2 secs Computing kpt #: 381 total cpu time spent up to now is 292.1 secs Computing kpt #: 382 total cpu time spent up to now is 292.9 secs Computing kpt #: 383 total cpu time spent up to now is 293.7 secs Computing kpt #: 384 total cpu time spent up to now is 294.6 secs Computing kpt #: 385 total cpu time spent up to now is 295.4 secs Computing kpt #: 386 total cpu time spent up to now is 296.3 secs Computing kpt #: 387 total cpu time spent up to now is 297.1 secs Computing kpt #: 388 total cpu time spent up to now is 297.8 secs Computing kpt #: 389 total cpu time spent up to now is 298.5 secs Computing kpt #: 390 total cpu time spent up to now is 299.0 secs Computing kpt #: 391 total cpu time spent up to now is 299.6 secs Computing kpt #: 392 total cpu time spent up to now is 300.3 secs Computing kpt #: 393 total cpu time spent up to now is 300.9 secs Computing kpt #: 394 total cpu time spent up to now is 301.7 secs Computing kpt #: 395 total cpu time spent up to now is 302.4 secs Computing kpt #: 396 total cpu time spent up to now is 303.0 secs Computing kpt #: 397 total cpu time spent up to now is 303.7 secs Computing kpt #: 398 total cpu time spent up to now is 304.3 secs Computing kpt #: 399 total cpu time spent up to now is 305.1 secs Computing kpt #: 400 total cpu time spent up to now is 305.9 secs Computing kpt #: 401 total cpu time spent up to now is 306.4 secs Computing kpt #: 402 total cpu time spent up to now is 307.1 secs Computing kpt #: 403 total cpu time spent up to now is 307.7 secs Computing kpt #: 404 total cpu time spent up to now is 308.5 secs Computing kpt #: 405 total cpu time spent up to now is 309.1 secs Computing kpt #: 406 total cpu time spent up to now is 309.7 secs Computing kpt #: 407 total cpu time spent up to now is 310.6 secs Computing kpt #: 408 total cpu time spent up to now is 311.4 secs Computing kpt #: 409 total cpu time spent up to now is 312.1 secs Computing kpt #: 410 total cpu time spent up to now is 312.9 secs Computing kpt #: 411 total cpu time spent up to now is 313.8 secs Computing kpt #: 412 total cpu time spent up to now is 314.6 secs Computing kpt #: 413 total cpu time spent up to now is 315.6 secs ethr = 5.56E-11, avg # of iterations = 54.4 total cpu time spent up to now is 315.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0790 -15.0790 -14.9814 -14.9814 -8.2528 -8.2528 2.2251 2.2251 2.9086 2.9086 3.6806 3.6806 3.6899 3.6899 8.3983 8.3983 8.4029 8.4029 9.2903 9.2903 10.0864 10.0864 k = 0.0000 0.0000 0.0132 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0791 -15.0791 -14.9815 -14.9815 -8.2524 -8.2524 2.2246 2.2246 2.9076 2.9076 3.6796 3.6796 3.6890 3.6890 8.3976 8.3976 8.4046 8.4046 9.2927 9.2927 10.0890 10.0890 k = 0.0000 0.0000 0.0264 ( 1681 PWs) bands (ev): -34.1991 -34.1991 -15.4237 -15.4237 -15.0794 -15.0794 -14.9816 -14.9816 -8.2510 -8.2510 2.2230 2.2230 2.9047 2.9047 3.6768 3.6768 3.6862 3.6862 8.3920 8.3920 8.4131 8.4131 9.2997 9.2997 10.0970 10.0970 k = 0.0000 0.0000 0.0396 ( 1687 PWs) bands (ev): -34.1991 -34.1991 -15.4241 -15.4241 -15.0799 -15.0799 -14.9818 -14.9818 -8.2488 -8.2488 2.2205 2.2205 2.8999 2.8999 3.6718 3.6718 3.6820 3.6820 8.3818 8.3818 8.4284 8.4284 9.3115 9.3115 10.1100 10.1100 k = 0.0000 0.0000 0.0528 ( 1695 PWs) bands (ev): -34.1990 -34.1990 -15.4246 -15.4246 -15.0806 -15.0806 -14.9821 -14.9821 -8.2457 -8.2457 2.2168 2.2168 2.8931 2.8931 3.6647 3.6647 3.6765 3.6765 8.3674 8.3674 8.4497 8.4497 9.3279 9.3279 10.1276 10.1276 k = 0.0000 0.0000 0.0660 ( 1699 PWs) bands (ev): -34.1989 -34.1989 -15.4253 -15.4253 -15.0814 -15.0814 -14.9825 -14.9825 -8.2417 -8.2417 2.2120 2.2120 2.8846 2.8846 3.6555 3.6555 3.6699 3.6699 8.3491 8.3491 8.4772 8.4772 9.3489 9.3489 10.1491 10.1491 k = 0.0000 0.0000 0.0792 ( 1703 PWs) bands (ev): -34.1988 -34.1988 -15.4261 -15.4261 -15.0824 -15.0824 -14.9829 -14.9829 -8.2369 -8.2369 2.2061 2.2061 2.8744 2.8744 3.6446 3.6446 3.6622 3.6622 8.3270 8.3270 8.5106 8.5106 9.3744 9.3744 10.1740 10.1740 k = 0.0000 0.0000 0.0924 ( 1707 PWs) bands (ev): -34.1987 -34.1987 -15.4271 -15.4271 -15.0836 -15.0836 -14.9834 -14.9834 -8.2313 -8.2313 2.1991 2.1991 2.8624 2.8624 3.6323 3.6323 3.6535 3.6535 8.3014 8.3014 8.5497 8.5497 9.4043 9.4043 10.2015 10.2015 k = 0.0000 0.0000 0.1056 ( 1709 PWs) bands (ev): -34.1985 -34.1985 -15.4281 -15.4281 -15.0850 -15.0850 -14.9839 -14.9839 -8.2249 -8.2249 2.1908 2.1908 2.8490 2.8490 3.6191 3.6191 3.6437 3.6437 8.2724 8.2724 8.5946 8.5946 9.4385 9.4385 10.2307 10.2307 k = 0.0000 0.0000 0.1188 ( 1709 PWs) bands (ev): -34.1983 -34.1983 -15.4293 -15.4293 -15.0864 -15.0864 -14.9846 -14.9846 -8.2178 -8.2178 2.1813 2.1813 2.8341 2.8341 3.6053 3.6053 3.6330 3.6330 8.2402 8.2402 8.6450 8.6450 9.4769 9.4769 10.2610 10.2610 k = 0.0000 0.0000 0.1320 ( 1709 PWs) bands (ev): -34.1981 -34.1981 -15.4306 -15.4306 -15.0881 -15.0881 -14.9852 -14.9852 -8.2100 -8.2100 2.1705 2.1705 2.8178 2.8178 3.5914 3.5914 3.6214 3.6214 8.2050 8.2050 8.7008 8.7008 9.5192 9.5192 10.2917 10.2917 k = 0.0000 0.0000 0.1452 ( 1709 PWs) bands (ev): -34.1979 -34.1979 -15.4320 -15.4320 -15.0899 -15.0899 -14.9859 -14.9859 -8.2017 -8.2017 2.1585 2.1585 2.8004 2.8004 3.5777 3.5777 3.6089 3.6089 8.1671 8.1671 8.7618 8.7618 9.5653 9.5653 10.3224 10.3224 k = 0.0000 0.0000 0.1584 ( 1705 PWs) bands (ev): -34.1977 -34.1977 -15.4335 -15.4335 -15.0917 -15.0917 -14.9867 -14.9867 -8.1928 -8.1928 2.1452 2.1452 2.7819 2.7819 3.5645 3.5645 3.5956 3.5956 8.1267 8.1267 8.8279 8.8279 9.6151 9.6151 10.3529 10.3529 k = 0.0000 0.0000 0.1716 ( 1713 PWs) bands (ev): -34.1974 -34.1974 -15.4352 -15.4352 -15.0938 -15.0938 -14.9875 -14.9875 -8.1835 -8.1835 2.1308 2.1308 2.7624 2.7624 3.5522 3.5522 3.5816 3.5816 8.0840 8.0840 8.8988 8.8988 9.6683 9.6683 10.3828 10.3828 k = 0.0000 0.0000 0.1848 ( 1713 PWs) bands (ev): -34.1972 -34.1972 -15.4369 -15.4369 -15.0960 -15.0960 -14.9884 -14.9884 -8.1737 -8.1737 2.1152 2.1152 2.7421 2.7421 3.5411 3.5411 3.5671 3.5671 8.0394 8.0394 8.9745 8.9745 9.7249 9.7249 10.4123 10.4123 k = 0.0000 0.0000 0.1980 ( 1721 PWs) bands (ev): -34.1969 -34.1969 -15.4388 -15.4388 -15.0982 -15.0982 -14.9893 -14.9893 -8.1636 -8.1636 2.0987 2.0987 2.7211 2.7211 3.5314 3.5314 3.5521 3.5521 7.9930 7.9930 9.0547 9.0547 9.7844 9.7844 10.4411 10.4411 k = 0.0000 0.0000 0.2112 ( 1725 PWs) bands (ev): -34.1966 -34.1966 -15.4407 -15.4407 -15.1006 -15.1006 -14.9903 -14.9903 -8.1532 -8.1532 2.0813 2.0813 2.6996 2.6996 3.5230 3.5230 3.5368 3.5368 7.9450 7.9450 9.1392 9.1392 9.8468 9.8468 10.4696 10.4696 k = 0.0000 0.0000 0.2244 ( 1725 PWs) bands (ev): -34.1963 -34.1963 -15.4426 -15.4426 -15.1030 -15.1030 -14.9912 -14.9912 -8.1426 -8.1426 2.0632 2.0632 2.6775 2.6775 3.5155 3.5155 3.5222 3.5222 7.8958 7.8958 9.2278 9.2278 9.9119 9.9119 10.4978 10.4978 k = 0.0000 0.0000 0.2376 ( 1729 PWs) bands (ev): -34.1959 -34.1959 -15.4447 -15.4447 -15.1055 -15.1055 -14.9923 -14.9923 -8.1319 -8.1319 2.0446 2.0446 2.6552 2.6552 3.5031 3.5031 3.5140 3.5140 7.8455 7.8455 9.3204 9.3204 9.9794 9.9794 10.5257 10.5257 k = 0.0000 0.0000 0.2508 ( 1729 PWs) bands (ev): -34.1956 -34.1956 -15.4468 -15.4468 -15.1080 -15.1080 -14.9933 -14.9933 -8.1211 -8.1211 2.0257 2.0257 2.6326 2.6326 3.4873 3.4873 3.5108 3.5108 7.7943 7.7943 9.4167 9.4167 10.0490 10.0490 10.5535 10.5535 k = 0.0000 0.0000 0.2640 ( 1723 PWs) bands (ev): -34.1952 -34.1952 -15.4489 -15.4489 -15.1105 -15.1105 -14.9943 -14.9943 -8.1103 -8.1103 2.0068 2.0068 2.6098 2.6098 3.4711 3.4711 3.5100 3.5100 7.7425 7.7425 9.5166 9.5166 10.1206 10.1206 10.5813 10.5813 k = 0.0000 0.0000 0.2772 ( 1727 PWs) bands (ev): -34.1949 -34.1949 -15.4510 -15.4510 -15.1132 -15.1132 -14.9954 -14.9954 -8.0996 -8.0996 1.9880 1.9880 2.5870 2.5870 3.4547 3.4547 3.5111 3.5111 7.6902 7.6902 9.6199 9.6199 10.1938 10.1938 10.6091 10.6091 k = 0.0000 0.0000 0.2904 ( 1727 PWs) bands (ev): -34.1945 -34.1945 -15.4532 -15.4532 -15.1158 -15.1158 -14.9966 -14.9966 -8.0890 -8.0890 1.9697 1.9697 2.5643 2.5643 3.4383 3.4383 3.5140 3.5140 7.6377 7.6377 9.7263 9.7263 10.2684 10.2684 10.6369 10.6369 k = 0.0000 0.0000 0.3036 ( 1727 PWs) bands (ev): -34.1941 -34.1941 -15.4554 -15.4554 -15.1184 -15.1184 -14.9977 -14.9977 -8.0787 -8.0787 1.9519 1.9519 2.5417 2.5417 3.4220 3.4220 3.5186 3.5186 7.5851 7.5851 9.8357 9.8357 10.3443 10.3443 10.6648 10.6648 k = 0.0000 0.0000 0.3168 ( 1723 PWs) bands (ev): -34.1937 -34.1937 -15.4576 -15.4576 -15.1210 -15.1210 -14.9988 -14.9988 -8.0686 -8.0686 1.9351 1.9351 2.5194 2.5194 3.4058 3.4058 3.5249 3.5249 7.5325 7.5325 9.9480 9.9480 10.4210 10.4210 10.6928 10.6928 k = 0.0000 0.0000 0.3300 ( 1723 PWs) bands (ev): -34.1933 -34.1933 -15.4599 -15.4599 -15.1237 -15.1237 -14.9999 -14.9999 -8.0588 -8.0588 1.9194 1.9194 2.4973 2.4973 3.3899 3.3899 3.5327 3.5327 7.4802 7.4802 10.0627 10.0627 10.4983 10.4983 10.7209 10.7209 k = 0.0000 0.0000 0.3432 ( 1723 PWs) bands (ev): -34.1929 -34.1929 -15.4621 -15.4621 -15.1263 -15.1263 -15.0011 -15.0011 -8.0494 -8.0494 1.9049 1.9049 2.4756 2.4756 3.3742 3.3742 3.5419 3.5419 7.4282 7.4282 10.1797 10.1797 10.5760 10.5760 10.7491 10.7491 k = 0.0000 0.0000 0.3564 ( 1723 PWs) bands (ev): -34.1925 -34.1925 -15.4643 -15.4643 -15.1288 -15.1288 -15.0022 -15.0022 -8.0404 -8.0404 1.8919 1.8919 2.4543 2.4543 3.3588 3.3588 3.5523 3.5523 7.3768 7.3768 10.2988 10.2988 10.6538 10.6538 10.7774 10.7774 k = 0.0000 0.0000 0.3696 ( 1723 PWs) bands (ev): -34.1921 -34.1921 -15.4665 -15.4665 -15.1314 -15.1314 -15.0034 -15.0034 -8.0319 -8.0319 1.8805 1.8805 2.4334 2.4334 3.3437 3.3437 3.5637 3.5637 7.3260 7.3260 10.4198 10.4198 10.7312 10.7312 10.8057 10.8057 k = 0.0000 0.0000 0.3828 ( 1717 PWs) bands (ev): -34.1917 -34.1917 -15.4686 -15.4686 -15.1339 -15.1339 -15.0045 -15.0045 -8.0239 -8.0239 1.8708 1.8708 2.4131 2.4131 3.3291 3.3291 3.5762 3.5762 7.2760 7.2760 10.5424 10.5424 10.8078 10.8078 10.8344 10.8344 k = 0.0000 0.0000 0.3960 ( 1719 PWs) bands (ev): -34.1913 -34.1913 -15.4707 -15.4707 -15.1364 -15.1364 -15.0056 -15.0056 -8.0164 -8.0164 1.8630 1.8630 2.3934 2.3934 3.3149 3.3149 3.5895 3.5895 7.2268 7.2268 10.6663 10.6663 10.8606 10.8606 10.8860 10.8860 k = 0.0000 0.0000 0.4092 ( 1715 PWs) bands (ev): -34.1909 -34.1909 -15.4728 -15.4728 -15.1388 -15.1388 -15.0067 -15.0067 -8.0095 -8.0095 1.8571 1.8571 2.3742 2.3742 3.3011 3.3011 3.6034 3.6034 7.1786 7.1786 10.7910 10.7910 10.8892 10.8892 10.9608 10.9608 k = 0.0000 0.0000 0.4224 ( 1715 PWs) bands (ev): -34.1905 -34.1905 -15.4748 -15.4748 -15.1411 -15.1411 -15.0078 -15.0078 -8.0031 -8.0031 1.8532 1.8532 2.3557 2.3557 3.2878 3.2878 3.6178 3.6178 7.1315 7.1315 10.9150 10.9150 10.9181 10.9181 11.0348 11.0348 k = 0.0000 0.0000 0.4356 ( 1715 PWs) bands (ev): -34.1901 -34.1901 -15.4768 -15.4768 -15.1434 -15.1434 -15.0089 -15.0089 -7.9973 -7.9973 1.8513 1.8513 2.3378 2.3378 3.2749 3.2749 3.6326 3.6326 7.0856 7.0856 10.9442 10.9442 11.0411 11.0411 11.1073 11.1073 k = 0.0000 0.0000 0.4488 ( 1715 PWs) bands (ev): -34.1897 -34.1897 -15.4787 -15.4787 -15.1456 -15.1456 -15.0100 -15.0100 -7.9921 -7.9921 1.8514 1.8514 2.3205 2.3205 3.2626 3.2626 3.6477 3.6477 7.0409 7.0409 10.9712 10.9712 11.1639 11.1639 11.1787 11.1787 k = 0.0000 0.0000 0.4620 ( 1715 PWs) bands (ev): -34.1893 -34.1893 -15.4806 -15.4806 -15.1477 -15.1477 -15.0111 -15.0111 -7.9875 -7.9875 1.8535 1.8535 2.3040 2.3040 3.2508 3.2508 3.6629 3.6629 6.9975 6.9975 10.9976 10.9976 11.2462 11.2462 11.2850 11.2850 k = 0.0000 0.0000 0.4752 ( 1723 PWs) bands (ev): -34.1889 -34.1889 -15.4824 -15.4824 -15.1498 -15.1498 -15.0121 -15.0121 -7.9834 -7.9834 1.8575 1.8575 2.2882 2.2882 3.2396 3.2396 3.6781 3.6781 6.9555 6.9555 11.0234 11.0234 11.3126 11.3126 11.3953 11.3953 k = 0.0000 0.0000 0.4884 ( 1723 PWs) bands (ev): -34.1885 -34.1885 -15.4842 -15.4842 -15.1518 -15.1518 -15.0131 -15.0131 -7.9799 -7.9799 1.8633 1.8633 2.2731 2.2731 3.2288 3.2288 3.6932 3.6932 6.9150 6.9150 11.0486 11.0486 11.3766 11.3766 11.4813 11.4813 k = 0.0000 0.0000 0.5016 ( 1719 PWs) bands (ev): -34.1882 -34.1882 -15.4858 -15.4858 -15.1537 -15.1537 -15.0141 -15.0141 -7.9769 -7.9769 1.8709 1.8709 2.2587 2.2587 3.2186 3.2186 3.7081 3.7081 6.8760 6.8760 11.0729 11.0729 11.4378 11.4378 11.5145 11.5145 k = 0.0000 0.0000 0.5148 ( 1719 PWs) bands (ev): -34.1878 -34.1878 -15.4874 -15.4874 -15.1555 -15.1555 -15.0150 -15.0150 -7.9744 -7.9744 1.8801 1.8801 2.2451 2.2451 3.2090 3.2090 3.7226 3.7226 6.8386 6.8386 11.0963 11.0963 11.4920 11.4920 11.5000 11.5000 k = 0.0000 0.0000 0.5280 ( 1725 PWs) bands (ev): -34.1875 -34.1875 -15.4889 -15.4889 -15.1573 -15.1573 -15.0160 -15.0160 -7.9724 -7.9724 1.8908 1.8908 2.2322 2.2322 3.1999 3.1999 3.7367 3.7367 6.8029 6.8029 11.1187 11.1187 11.4544 11.4544 11.5521 11.5521 k = 0.0000 0.0000 0.5412 ( 1725 PWs) bands (ev): -34.1872 -34.1872 -15.4903 -15.4903 -15.1589 -15.1589 -15.0168 -15.0168 -7.9708 -7.9708 1.9027 1.9027 2.2200 2.2200 3.1913 3.1913 3.7503 3.7503 6.7688 6.7688 11.1400 11.1400 11.4070 11.4070 11.6044 11.6044 k = 0.0000 0.0000 0.5544 ( 1721 PWs) bands (ev): -34.1868 -34.1868 -15.4916 -15.4916 -15.1604 -15.1604 -15.0176 -15.0176 -7.9697 -7.9697 1.9158 1.9158 2.2086 2.2086 3.1833 3.1833 3.7633 3.7633 6.7365 6.7365 11.1600 11.1600 11.3583 11.3583 11.6536 11.6536 k = 0.0000 0.0000 0.5676 ( 1721 PWs) bands (ev): -34.1865 -34.1865 -15.4929 -15.4929 -15.1618 -15.1618 -15.0184 -15.0184 -7.9689 -7.9689 1.9298 1.9298 2.1979 2.1979 3.1758 3.1758 3.7756 3.7756 6.7059 6.7059 11.1787 11.1787 11.3105 11.3105 11.6996 11.6996 k = 0.0000 0.0000 0.5808 ( 1721 PWs) bands (ev): -34.1863 -34.1863 -15.4941 -15.4941 -15.1632 -15.1632 -15.0192 -15.0192 -7.9684 -7.9684 1.9444 1.9444 2.1879 2.1879 3.1689 3.1689 3.7872 3.7872 6.6771 6.6771 11.1960 11.1960 11.2645 11.2645 11.7423 11.7423 k = 0.0000 0.0000 0.5941 ( 1721 PWs) bands (ev): -34.1860 -34.1860 -15.4952 -15.4952 -15.1644 -15.1644 -15.0199 -15.0199 -7.9682 -7.9682 1.9596 1.9596 2.1787 2.1787 3.1624 3.1624 3.7980 3.7980 6.6502 6.6502 11.2119 11.2119 11.2208 11.2208 11.7816 11.7816 k = 0.0000 0.0000 0.6073 ( 1718 PWs) bands (ev): -34.1857 -34.1857 -15.4962 -15.4962 -15.1655 -15.1655 -15.0205 -15.0205 -7.9682 -7.9682 1.9749 1.9749 2.1702 2.1702 3.1565 3.1565 3.8080 3.8080 6.6252 6.6252 11.1798 11.1798 11.2261 11.2261 11.8178 11.8178 k = 0.0000 0.0000 0.6205 ( 1718 PWs) bands (ev): -34.1855 -34.1855 -15.4971 -15.4971 -15.1666 -15.1666 -15.0211 -15.0211 -7.9684 -7.9684 1.9903 1.9903 2.1624 2.1624 3.1511 3.1511 3.8172 3.8172 6.6020 6.6020 11.1416 11.1416 11.2388 11.2388 11.8507 11.8507 k = 0.0000 0.0000 0.6337 ( 1724 PWs) bands (ev): -34.1853 -34.1853 -15.4980 -15.4980 -15.1676 -15.1676 -15.0217 -15.0217 -7.9688 -7.9688 2.0053 2.0053 2.1554 2.1554 3.1462 3.1462 3.8255 3.8255 6.5808 6.5808 11.1064 11.1064 11.2499 11.2499 11.8803 11.8803 k = 0.0000 0.0000 0.6469 ( 1720 PWs) bands (ev): -34.1851 -34.1851 -15.4987 -15.4987 -15.1684 -15.1684 -15.0222 -15.0222 -7.9692 -7.9692 2.0199 2.0199 2.1490 2.1490 3.1418 3.1418 3.8329 3.8329 6.5616 6.5616 11.0744 11.0744 11.2594 11.2594 11.9069 11.9069 k = 0.0000 0.0000 0.6601 ( 1718 PWs) bands (ev): -34.1849 -34.1849 -15.4994 -15.4994 -15.1692 -15.1692 -15.0227 -15.0227 -7.9698 -7.9698 2.0337 2.0337 2.1433 2.1433 3.1379 3.1379 3.8395 3.8395 6.5443 6.5443 11.0456 11.0456 11.2674 11.2674 11.9303 11.9303 k = 0.0000 0.0000 0.6733 ( 1718 PWs) bands (ev): -34.1847 -34.1847 -15.5000 -15.5000 -15.1699 -15.1699 -15.0231 -15.0231 -7.9703 -7.9703 2.0465 2.0465 2.1384 2.1384 3.1345 3.1345 3.8452 3.8452 6.5290 6.5290 11.0200 11.0200 11.2739 11.2739 11.9507 11.9507 k = 0.0000 0.0000 0.6865 ( 1722 PWs) bands (ev): -34.1846 -34.1846 -15.5005 -15.5005 -15.1705 -15.1705 -15.0234 -15.0234 -7.9709 -7.9709 2.0581 2.0581 2.1341 2.1341 3.1315 3.1315 3.8502 3.8502 6.5157 6.5157 10.9977 10.9977 11.2791 11.2791 11.9682 11.9682 k = 0.0000 0.0000 0.6997 ( 1718 PWs) bands (ev): -34.1845 -34.1845 -15.5009 -15.5009 -15.1710 -15.1710 -15.0237 -15.0237 -7.9715 -7.9715 2.0682 2.0682 2.1305 2.1305 3.1290 3.1290 3.8543 3.8543 6.5044 6.5044 10.9789 10.9789 11.2832 11.2832 11.9829 11.9829 k = 0.0000 0.0000 0.7129 ( 1718 PWs) bands (ev): -34.1844 -34.1844 -15.5013 -15.5013 -15.1714 -15.1714 -15.0240 -15.0240 -7.9719 -7.9719 2.0768 2.0768 2.1276 2.1276 3.1270 3.1270 3.8576 3.8576 6.4952 6.4952 10.9634 10.9634 11.2863 11.2863 11.9947 11.9947 k = 0.0000 0.0000 0.7261 ( 1718 PWs) bands (ev): -34.1843 -34.1843 -15.5016 -15.5016 -15.1717 -15.1717 -15.0241 -15.0241 -7.9723 -7.9723 2.0836 2.0836 2.1254 2.1254 3.1254 3.1254 3.8601 3.8601 6.4880 6.4880 10.9512 10.9512 11.2884 11.2884 12.0039 12.0039 k = 0.0000 0.0000 0.7393 ( 1728 PWs) bands (ev): -34.1843 -34.1843 -15.5018 -15.5018 -15.1720 -15.1720 -15.0243 -15.0243 -7.9726 -7.9726 2.0885 2.0885 2.1238 2.1238 3.1243 3.1243 3.8619 3.8619 6.4829 6.4829 10.9425 10.9425 11.2896 11.2896 12.0104 12.0104 k = 0.0000 0.0000 0.7525 ( 1732 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1722 -15.1722 -15.0244 -15.0244 -7.9728 -7.9728 2.0914 2.0914 2.1229 2.1229 3.1236 3.1236 3.8630 3.8630 6.4798 6.4798 10.9373 10.9373 11.2904 11.2904 12.0142 12.0142 k = 0.0000 0.0000 0.7657 ( 1736 PWs) bands (ev): -34.1842 -34.1842 -15.5021 -15.5021 -15.1723 -15.1723 -15.0245 -15.0245 -7.9729 -7.9729 2.0924 2.0924 2.1226 2.1226 3.1234 3.1234 3.8634 3.8634 6.4788 6.4788 10.9356 10.9356 11.2907 11.2907 12.0155 12.0155 k = 0.0000 0.0000 0.7657 ( 1736 PWs) bands (ev): -34.1842 -34.1842 -15.5021 -15.5021 -15.1723 -15.1723 -15.0245 -15.0245 -7.9729 -7.9729 2.0924 2.0924 2.1226 2.1226 3.1234 3.1234 3.8634 3.8634 6.4788 6.4788 10.9356 10.9356 11.2907 11.2907 12.0155 12.0155 k =-0.0084 0.0098 0.7657 ( 1732 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1722 -15.1722 -15.0245 -15.0245 -7.9727 -7.9727 2.0928 2.0928 2.1207 2.1207 3.1211 3.1211 3.8650 3.8650 6.4828 6.4828 10.9361 10.9361 11.2929 11.2929 12.0130 12.0130 k =-0.0169 0.0196 0.7657 ( 1728 PWs) bands (ev): -34.1842 -34.1842 -15.5019 -15.5019 -15.1721 -15.1721 -15.0246 -15.0246 -7.9721 -7.9721 2.0939 2.0939 2.1152 2.1152 3.1143 3.1143 3.8697 3.8697 6.4949 6.4949 10.9376 10.9376 11.2989 11.2989 12.0057 12.0057 k =-0.0253 0.0294 0.7657 ( 1718 PWs) bands (ev): -34.1842 -34.1842 -15.5018 -15.5018 -15.1719 -15.1719 -15.0247 -15.0247 -7.9710 -7.9710 2.0952 2.0952 2.1068 2.1068 3.1031 3.1031 3.8774 3.8774 6.5151 6.5151 10.9402 10.9402 11.3088 11.3088 11.9936 11.9936 k =-0.0338 0.0392 0.7657 ( 1714 PWs) bands (ev): -34.1843 -34.1843 -15.5016 -15.5016 -15.1717 -15.1717 -15.0250 -15.0250 -7.9696 -7.9696 2.0899 2.0899 2.1022 2.1022 3.0881 3.0881 3.8879 3.8879 6.5431 6.5431 10.9438 10.9438 11.3223 11.3223 11.9765 11.9765 k =-0.0422 0.0490 0.7657 ( 1716 PWs) bands (ev): -34.1843 -34.1843 -15.5015 -15.5015 -15.1715 -15.1715 -15.0253 -15.0253 -7.9678 -7.9678 2.0746 2.0746 2.1051 2.1051 3.0695 3.0695 3.9006 3.9006 6.5788 6.5788 10.9483 10.9483 11.3389 11.3389 11.9545 11.9545 k =-0.0507 0.0588 0.7657 ( 1720 PWs) bands (ev): -34.1844 -34.1844 -15.5013 -15.5013 -15.1713 -15.1713 -15.0257 -15.0257 -7.9656 -7.9656 2.0550 2.0550 2.1098 2.1098 3.0479 3.0479 3.9155 3.9155 6.6220 6.6220 10.9539 10.9539 11.3582 11.3582 11.9276 11.9276 k =-0.0591 0.0686 0.7657 ( 1724 PWs) bands (ev): -34.1845 -34.1845 -15.5011 -15.5011 -15.1710 -15.1710 -15.0262 -15.0262 -7.9632 -7.9632 2.0323 2.0323 2.1157 2.1157 3.0236 3.0236 3.9320 3.9320 6.6724 6.6724 10.9605 10.9605 11.3798 11.3798 11.8958 11.8958 k =-0.0676 0.0784 0.7657 ( 1720 PWs) bands (ev): -34.1845 -34.1845 -15.5008 -15.5008 -15.1705 -15.1705 -15.0268 -15.0268 -7.9604 -7.9604 2.0067 2.0067 2.1224 2.1224 2.9974 2.9974 3.9499 3.9499 6.7299 6.7299 10.9680 10.9680 11.4029 11.4029 11.8593 11.8593 k =-0.0760 0.0882 0.7657 ( 1720 PWs) bands (ev): -34.1846 -34.1846 -15.5005 -15.5005 -15.1701 -15.1701 -15.0274 -15.0274 -7.9573 -7.9573 1.9785 1.9785 2.1302 2.1302 2.9695 2.9695 3.9690 3.9690 6.7940 6.7940 10.9765 10.9765 11.4267 11.4267 11.8180 11.8180 k =-0.0845 0.0980 0.7657 ( 1720 PWs) bands (ev): -34.1847 -34.1847 -15.5001 -15.5001 -15.1696 -15.1696 -15.0280 -15.0280 -7.9541 -7.9541 1.9480 1.9480 2.1388 2.1388 2.9403 2.9403 3.9889 3.9889 6.8646 6.8646 10.9859 10.9859 11.4505 11.4505 11.7720 11.7720 k =-0.0929 0.1078 0.7657 ( 1720 PWs) bands (ev): -34.1848 -34.1848 -15.4997 -15.4997 -15.1690 -15.1690 -15.0288 -15.0288 -7.9506 -7.9506 1.9155 1.9155 2.1484 2.1484 2.9104 2.9104 4.0096 4.0096 6.9413 6.9413 10.9962 10.9962 11.4735 11.4735 11.7214 11.7214 k =-0.1014 0.1176 0.7657 ( 1718 PWs) bands (ev): -34.1849 -34.1849 -15.4993 -15.4993 -15.1684 -15.1684 -15.0295 -15.0295 -7.9470 -7.9470 1.8813 1.8813 2.1589 2.1589 2.8801 2.8801 4.0309 4.0309 7.0238 7.0238 11.0074 11.0074 11.4948 11.4948 11.6663 11.6663 k =-0.1098 0.1274 0.7657 ( 1718 PWs) bands (ev): -34.1850 -34.1850 -15.4988 -15.4988 -15.1677 -15.1677 -15.0304 -15.0304 -7.9434 -7.9434 1.8455 1.8455 2.1704 2.1704 2.8498 2.8498 4.0526 4.0526 7.1119 7.1119 11.0194 11.0194 11.5137 11.5137 11.6071 11.6071 k =-0.1183 0.1372 0.7657 ( 1712 PWs) bands (ev): -34.1851 -34.1851 -15.4983 -15.4983 -15.1669 -15.1669 -15.0312 -15.0312 -7.9397 -7.9397 1.8085 1.8085 2.1827 2.1827 2.8196 2.8196 4.0747 4.0747 7.2052 7.2052 11.0323 11.0323 11.5271 11.5271 11.5462 11.5462 k =-0.1267 0.1470 0.7657 ( 1708 PWs) bands (ev): -34.1852 -34.1852 -15.4977 -15.4977 -15.1660 -15.1660 -15.0321 -15.0321 -7.9359 -7.9359 1.7704 1.7704 2.1960 2.1960 2.7901 2.7901 4.0971 4.0971 7.3036 7.3036 11.0460 11.0460 11.4741 11.4741 11.5444 11.5444 k =-0.1352 0.1568 0.7657 ( 1708 PWs) bands (ev): -34.1854 -34.1854 -15.4972 -15.4972 -15.1651 -15.1651 -15.0331 -15.0331 -7.9323 -7.9323 1.7316 1.7316 2.2101 2.2101 2.7614 2.7614 4.1197 4.1197 7.4065 7.4065 11.0605 11.0605 11.4028 11.4028 11.5533 11.5533 k =-0.1436 0.1666 0.7657 ( 1708 PWs) bands (ev): -34.1855 -34.1855 -15.4966 -15.4966 -15.1642 -15.1642 -15.0341 -15.0341 -7.9287 -7.9287 1.6921 1.6921 2.2252 2.2252 2.7338 2.7338 4.1424 4.1424 7.5139 7.5139 11.0756 11.0756 11.3275 11.3275 11.5589 11.5589 k =-0.1521 0.1764 0.7657 ( 1712 PWs) bands (ev): -34.1857 -34.1857 -15.4959 -15.4959 -15.1632 -15.1632 -15.0352 -15.0352 -7.9254 -7.9254 1.6523 1.6523 2.2412 2.2412 2.7075 2.7075 4.1653 4.1653 7.6255 7.6255 11.0914 11.0914 11.2487 11.2487 11.5611 11.5611 k =-0.1605 0.1862 0.7657 ( 1704 PWs) bands (ev): -34.1858 -34.1858 -15.4952 -15.4952 -15.1620 -15.1620 -15.0362 -15.0362 -7.9222 -7.9222 1.6122 1.6122 2.2581 2.2581 2.6829 2.6829 4.1884 4.1884 7.7410 7.7410 11.1079 11.1079 11.1667 11.1667 11.5600 11.5600 k =-0.1690 0.1960 0.7657 ( 1700 PWs) bands (ev): -34.1860 -34.1860 -15.4945 -15.4945 -15.1608 -15.1608 -15.0373 -15.0373 -7.9192 -7.9192 1.5721 1.5721 2.2759 2.2759 2.6600 2.6600 4.2114 4.2114 7.8603 7.8603 11.0811 11.0811 11.1255 11.1255 11.5558 11.5558 k =-0.1774 0.2058 0.7657 ( 1700 PWs) bands (ev): -34.1861 -34.1861 -15.4937 -15.4937 -15.1595 -15.1595 -15.0384 -15.0384 -7.9166 -7.9166 1.5320 1.5320 2.2945 2.2945 2.6390 2.6390 4.2346 4.2346 7.9830 7.9830 10.9934 10.9934 11.1430 11.1430 11.5488 11.5488 k =-0.1859 0.2156 0.7657 ( 1700 PWs) bands (ev): -34.1863 -34.1863 -15.4929 -15.4929 -15.1582 -15.1582 -15.0395 -15.0395 -7.9143 -7.9143 1.4922 1.4922 2.3140 2.3140 2.6202 2.6202 4.2577 4.2577 8.1090 8.1090 10.9030 10.9030 11.1611 11.1611 11.5394 11.5394 k =-0.1859 0.2156 0.7657 ( 1700 PWs) bands (ev): -34.1863 -34.1863 -15.4929 -15.4929 -15.1582 -15.1582 -15.0395 -15.0395 -7.9143 -7.9143 1.4922 1.4922 2.3140 2.3140 2.6202 2.6202 4.2577 4.2577 8.1090 8.1090 10.9030 10.9030 11.1611 11.1611 11.5394 11.5394 k =-0.1919 0.2226 0.7564 ( 1702 PWs) bands (ev): -34.1864 -34.1864 -15.4923 -15.4923 -15.1572 -15.1572 -15.0403 -15.0403 -7.9128 -7.9128 1.4642 1.4642 2.3264 2.3264 2.6098 2.6098 4.2740 4.2740 8.2014 8.2014 10.8373 10.8373 11.1751 11.1751 11.5328 11.5328 k =-0.1980 0.2296 0.7472 ( 1706 PWs) bands (ev): -34.1866 -34.1866 -15.4918 -15.4918 -15.1562 -15.1562 -15.0411 -15.0411 -7.9114 -7.9114 1.4368 1.4368 2.3345 2.3345 2.6042 2.6042 4.2896 4.2896 8.2960 8.2960 10.7715 10.7715 11.1909 11.1909 11.5282 11.5282 k =-0.2040 0.2366 0.7379 ( 1706 PWs) bands (ev): -34.1867 -34.1867 -15.4912 -15.4912 -15.1551 -15.1551 -15.0418 -15.0418 -7.9100 -7.9100 1.4103 1.4103 2.3376 2.3376 2.6042 2.6042 4.3046 4.3046 8.3927 8.3927 10.7059 10.7059 11.2085 11.2085 11.5260 11.5260 k =-0.2100 0.2436 0.7287 ( 1703 PWs) bands (ev): -34.1869 -34.1869 -15.4906 -15.4906 -15.1540 -15.1540 -15.0424 -15.0424 -7.9088 -7.9088 1.3845 1.3845 2.3357 2.3357 2.6098 2.6098 4.3190 4.3190 8.4914 8.4914 10.6408 10.6408 11.2277 11.2277 11.5263 11.5263 k =-0.2161 0.2506 0.7194 ( 1703 PWs) bands (ev): -34.1870 -34.1870 -15.4901 -15.4901 -15.1528 -15.1528 -15.0430 -15.0430 -7.9075 -7.9075 1.3596 1.3596 2.3293 2.3293 2.6205 2.6205 4.3327 4.3327 8.5921 8.5921 10.5764 10.5764 11.2485 11.2485 11.5294 11.5294 k =-0.2221 0.2576 0.7102 ( 1703 PWs) bands (ev): -34.1872 -34.1872 -15.4896 -15.4896 -15.1517 -15.1517 -15.0435 -15.0435 -7.9064 -7.9064 1.3356 1.3356 2.3193 2.3193 2.6352 2.6352 4.3457 4.3457 8.6945 8.6945 10.5130 10.5130 11.2709 11.2709 11.5354 11.5354 k =-0.2282 0.2646 0.7009 ( 1703 PWs) bands (ev): -34.1873 -34.1873 -15.4891 -15.4891 -15.1505 -15.1505 -15.0440 -15.0440 -7.9053 -7.9053 1.3126 1.3126 2.3068 2.3068 2.6528 2.6528 4.3580 4.3580 8.7986 8.7986 10.4508 10.4508 11.2946 11.2946 11.5444 11.5444 k =-0.2342 0.2716 0.6917 ( 1703 PWs) bands (ev): -34.1875 -34.1875 -15.4886 -15.4886 -15.1494 -15.1494 -15.0444 -15.0444 -7.9042 -7.9042 1.2905 1.2905 2.2927 2.2927 2.6725 2.6725 4.3696 4.3696 8.9042 8.9042 10.3901 10.3901 11.3197 11.3197 11.5565 11.5565 k =-0.2402 0.2786 0.6824 ( 1709 PWs) bands (ev): -34.1876 -34.1876 -15.4882 -15.4882 -15.1483 -15.1483 -15.0448 -15.0448 -7.9033 -7.9033 1.2695 1.2695 2.2776 2.2776 2.6934 2.6934 4.3805 4.3805 9.0113 9.0113 10.3311 10.3311 11.3459 11.3459 11.5718 11.5718 k =-0.2463 0.2856 0.6732 ( 1710 PWs) bands (ev): -34.1878 -34.1878 -15.4878 -15.4878 -15.1472 -15.1472 -15.0451 -15.0451 -7.9024 -7.9024 1.2495 1.2495 2.2621 2.2621 2.7151 2.7151 4.3907 4.3907 9.1196 9.1196 10.2742 10.2742 11.3732 11.3732 11.5903 11.5903 k =-0.2523 0.2926 0.6639 ( 1710 PWs) bands (ev): -34.1879 -34.1879 -15.4875 -15.4875 -15.1462 -15.1462 -15.0453 -15.0453 -7.9015 -7.9015 1.2305 1.2305 2.2465 2.2465 2.7370 2.7370 4.4002 4.4002 9.2291 9.2291 10.2194 10.2194 11.4013 11.4013 11.6119 11.6119 k =-0.2584 0.2996 0.6547 ( 1709 PWs) bands (ev): -34.1881 -34.1881 -15.4871 -15.4871 -15.1452 -15.1452 -15.0454 -15.0454 -7.9007 -7.9007 1.2127 1.2127 2.2312 2.2312 2.7588 2.7588 4.4090 4.4090 9.3396 9.3396 10.1670 10.1670 11.4299 11.4299 11.6369 11.6369 k =-0.2644 0.3066 0.6454 ( 1707 PWs) bands (ev): -34.1882 -34.1882 -15.4868 -15.4868 -15.1442 -15.1442 -15.0455 -15.0455 -7.9000 -7.9000 1.1960 1.1960 2.2163 2.2163 2.7802 2.7802 4.4171 4.4171 9.4509 9.4509 10.1172 10.1172 11.4588 11.4588 11.6649 11.6649 k =-0.2704 0.3136 0.6362 ( 1707 PWs) bands (ev): -34.1883 -34.1883 -15.4865 -15.4865 -15.1433 -15.1433 -15.0455 -15.0455 -7.8994 -7.8994 1.1805 1.1805 2.2021 2.2021 2.8009 2.8009 4.4245 4.4245 9.5629 9.5629 10.0703 10.0703 11.4874 11.4874 11.6961 11.6961 k =-0.2765 0.3207 0.6269 ( 1707 PWs) bands (ev): -34.1885 -34.1885 -15.4863 -15.4863 -15.1425 -15.1425 -15.0455 -15.0455 -7.8988 -7.8988 1.1661 1.1661 2.1886 2.1886 2.8207 2.8207 4.4313 4.4313 9.6754 9.6754 10.0263 10.0263 11.5149 11.5149 11.7304 11.7304 k =-0.2825 0.3277 0.6177 ( 1703 PWs) bands (ev): -34.1886 -34.1886 -15.4860 -15.4860 -15.1417 -15.1417 -15.0455 -15.0455 -7.8982 -7.8982 1.1529 1.1529 2.1760 2.1760 2.8395 2.8395 4.4373 4.4373 9.7881 9.7881 9.9855 9.9855 11.5402 11.5402 11.7675 11.7675 k =-0.2886 0.3347 0.6084 ( 1705 PWs) bands (ev): -34.1887 -34.1887 -15.4859 -15.4859 -15.1410 -15.1410 -15.0454 -15.0454 -7.8977 -7.8977 1.1410 1.1410 2.1644 2.1644 2.8570 2.8570 4.4428 4.4428 9.9006 9.9006 9.9480 9.9480 11.5611 11.5611 11.8074 11.8074 k =-0.2946 0.3417 0.5992 ( 1706 PWs) bands (ev): -34.1888 -34.1888 -15.4857 -15.4857 -15.1404 -15.1404 -15.0453 -15.0453 -7.8973 -7.8973 1.1302 1.1302 2.1538 2.1538 2.8731 2.8731 4.4476 4.4476 9.9139 9.9139 10.0129 10.0129 11.5742 11.5742 11.8497 11.8497 k =-0.3007 0.3487 0.5899 ( 1705 PWs) bands (ev): -34.1889 -34.1889 -15.4856 -15.4856 -15.1398 -15.1398 -15.0452 -15.0452 -7.8969 -7.8969 1.1207 1.1207 2.1443 2.1443 2.8877 2.8877 4.4518 4.4518 9.8836 9.8836 10.1241 10.1241 11.5737 11.5737 11.8941 11.8941 k =-0.3067 0.3557 0.5807 ( 1699 PWs) bands (ev): -34.1890 -34.1890 -15.4854 -15.4854 -15.1393 -15.1393 -15.0451 -15.0451 -7.8966 -7.8966 1.1124 1.1124 2.1360 2.1360 2.9006 2.9006 4.4554 4.4554 9.8570 9.8570 10.2339 10.2339 11.5524 11.5524 11.9081 11.9081 k =-0.3127 0.3627 0.5714 ( 1703 PWs) bands (ev): -34.1890 -34.1890 -15.4854 -15.4854 -15.1389 -15.1389 -15.0450 -15.0450 -7.8963 -7.8963 1.1054 1.1054 2.1289 2.1289 2.9117 2.9117 4.4584 4.4584 9.8343 9.8343 10.3411 10.3411 11.5072 11.5072 11.8858 11.8858 k =-0.3188 0.3697 0.5622 ( 1707 PWs) bands (ev): -34.1891 -34.1891 -15.4853 -15.4853 -15.1386 -15.1386 -15.0450 -15.0450 -7.8961 -7.8961 1.0997 1.0997 2.1230 2.1230 2.9209 2.9209 4.4608 4.4608 9.8156 9.8156 10.4441 10.4441 11.4440 11.4440 11.8807 11.8807 k =-0.3248 0.3767 0.5529 ( 1707 PWs) bands (ev): -34.1891 -34.1891 -15.4852 -15.4852 -15.1384 -15.1384 -15.0449 -15.0449 -7.8959 -7.8959 1.0952 1.0952 2.1184 2.1184 2.9282 2.9282 4.4627 4.4627 9.8009 9.8009 10.5400 10.5400 11.3728 11.3728 11.8848 11.8848 k =-0.3309 0.3837 0.5437 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1382 -15.1382 -15.0448 -15.0448 -7.8958 -7.8958 1.0920 1.0920 2.1152 2.1152 2.9334 2.9334 4.4640 4.4640 9.7904 9.7904 10.6236 10.6236 11.3044 11.3044 11.8916 11.8916 k =-0.3369 0.3907 0.5344 ( 1708 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1381 -15.1381 -15.0448 -15.0448 -7.8957 -7.8957 1.0901 1.0901 2.1132 2.1132 2.9366 2.9366 4.4648 4.4648 9.7840 9.7840 10.6844 10.6844 11.2517 11.2517 11.8971 11.8971 k =-0.3429 0.3977 0.5252 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1380 -15.1380 -15.0448 -15.0448 -7.8957 -7.8957 1.0895 1.0895 2.1125 2.1125 2.9376 2.9376 4.4651 4.4651 9.7819 9.7819 10.7076 10.7076 11.2310 11.2310 11.8992 11.8992 k =-0.3429 0.3977 0.5252 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1380 -15.1380 -15.0448 -15.0448 -7.8957 -7.8957 1.0895 1.0895 2.1125 2.1125 2.9376 2.9376 4.4651 4.4651 9.7819 9.7819 10.7076 10.7076 11.2310 11.2310 11.8992 11.8992 k =-0.3368 0.3906 0.5158 ( 1706 PWs) bands (ev): -34.1891 -34.1891 -15.4864 -15.4864 -15.1393 -15.1393 -15.0432 -15.0432 -7.8903 -7.8903 1.1208 1.1208 2.0681 2.0681 2.9310 2.9310 4.4378 4.4378 9.8819 9.8819 10.6105 10.6105 11.1629 11.1629 11.9146 11.9146 k =-0.3307 0.3835 0.5064 ( 1710 PWs) bands (ev): -34.1891 -34.1891 -15.4876 -15.4876 -15.1405 -15.1405 -15.0416 -15.0416 -7.8853 -7.8853 1.1532 1.1532 2.0256 2.0256 2.9252 2.9252 4.4099 4.4099 9.9823 9.9823 10.5144 10.5144 11.0923 11.0923 11.9316 11.9316 k =-0.3246 0.3764 0.4970 ( 1718 PWs) bands (ev): -34.1890 -34.1890 -15.4888 -15.4888 -15.1417 -15.1417 -15.0400 -15.0400 -7.8808 -7.8808 1.1866 1.1866 1.9852 1.9852 2.9201 2.9201 4.3814 4.3814 10.0826 10.0826 10.4194 10.4194 11.0198 11.0198 11.9503 11.9503 k =-0.3184 0.3693 0.4876 ( 1714 PWs) bands (ev): -34.1890 -34.1890 -15.4898 -15.4898 -15.1426 -15.1426 -15.0383 -15.0383 -7.8768 -7.8768 1.2210 1.2210 1.9469 1.9469 2.9160 2.9160 4.3525 4.3525 10.1824 10.1824 10.3259 10.3259 10.9457 10.9457 11.9705 11.9705 k =-0.3123 0.3622 0.4783 ( 1708 PWs) bands (ev): -34.1890 -34.1890 -15.4907 -15.4907 -15.1433 -15.1433 -15.0366 -15.0366 -7.8734 -7.8734 1.2563 1.2563 1.9110 1.9110 2.9128 2.9128 4.3231 4.3231 10.2338 10.2338 10.2812 10.2812 10.8704 10.8704 11.9924 11.9924 k =-0.3062 0.3551 0.4689 ( 1708 PWs) bands (ev): -34.1890 -34.1890 -15.4915 -15.4915 -15.1440 -15.1440 -15.0350 -15.0350 -7.8706 -7.8706 1.2926 1.2926 1.8775 1.8775 2.9106 2.9106 4.2932 4.2932 10.1433 10.1433 10.3782 10.3782 10.7941 10.7941 12.0159 12.0159 k =-0.3001 0.3480 0.4595 ( 1708 PWs) bands (ev): -34.1890 -34.1890 -15.4922 -15.4922 -15.1446 -15.1446 -15.0333 -15.0333 -7.8685 -7.8685 1.3297 1.3297 1.8464 1.8464 2.9094 2.9094 4.2631 4.2631 10.0546 10.0546 10.4730 10.4730 10.7172 10.7172 12.0409 12.0409 k =-0.2939 0.3409 0.4501 ( 1708 PWs) bands (ev): -34.1890 -34.1890 -15.4928 -15.4928 -15.1450 -15.1450 -15.0316 -15.0316 -7.8671 -7.8671 1.3676 1.3676 1.8180 1.8180 2.9093 2.9093 4.2327 4.2327 9.9676 9.9676 10.5646 10.5646 10.6400 10.6400 12.0675 12.0675 k =-0.2878 0.3338 0.4408 ( 1712 PWs) bands (ev): -34.1890 -34.1890 -15.4933 -15.4933 -15.1453 -15.1453 -15.0300 -15.0300 -7.8663 -7.8663 1.4063 1.4063 1.7922 1.7922 2.9103 2.9103 4.2020 4.2020 9.8826 9.8826 10.5622 10.5622 10.6526 10.6526 12.0958 12.0958 k =-0.2817 0.3267 0.4314 ( 1712 PWs) bands (ev): -34.1891 -34.1891 -15.4936 -15.4936 -15.1454 -15.1454 -15.0283 -15.0283 -7.8664 -7.8664 1.4458 1.4458 1.7691 1.7691 2.9125 2.9125 4.1713 4.1713 9.7995 9.7995 10.4848 10.4848 10.7356 10.7356 12.1256 12.1256 k =-0.2756 0.3196 0.4220 ( 1712 PWs) bands (ev): -34.1892 -34.1892 -15.4937 -15.4937 -15.1454 -15.1454 -15.0267 -15.0267 -7.8671 -7.8671 1.4860 1.4860 1.7488 1.7488 2.9158 2.9158 4.1405 4.1405 9.7185 9.7185 10.4075 10.4075 10.8128 10.8128 12.1571 12.1571 k =-0.2695 0.3125 0.4126 ( 1712 PWs) bands (ev): -34.1892 -34.1892 -15.4937 -15.4937 -15.1453 -15.1453 -15.0250 -15.0250 -7.8687 -7.8687 1.5269 1.5269 1.7312 1.7312 2.9203 2.9203 4.1096 4.1096 9.6396 9.6396 10.3305 10.3305 10.8832 10.8832 12.1902 12.1902 k =-0.2633 0.3054 0.4032 ( 1716 PWs) bands (ev): -34.1894 -34.1894 -15.4935 -15.4935 -15.1451 -15.1451 -15.0234 -15.0234 -7.8710 -7.8710 1.5684 1.5684 1.7164 1.7164 2.9261 2.9261 4.0789 4.0789 9.5629 9.5629 10.2539 10.2539 10.9458 10.9458 12.2250 12.2250 k =-0.2572 0.2983 0.3939 ( 1716 PWs) bands (ev): -34.1895 -34.1895 -15.4932 -15.4932 -15.1447 -15.1447 -15.0218 -15.0218 -7.8742 -7.8742 1.6105 1.6105 1.7045 1.7045 2.9330 2.9330 4.0483 4.0483 9.4884 9.4884 10.1780 10.1780 10.9996 10.9996 12.2614 12.2614 k =-0.2511 0.2912 0.3845 ( 1716 PWs) bands (ev): -34.1896 -34.1896 -15.4926 -15.4926 -15.1442 -15.1442 -15.0202 -15.0202 -7.8781 -7.8781 1.6530 1.6530 1.6952 1.6952 2.9412 2.9412 4.0179 4.0179 9.4163 9.4163 10.1029 10.1029 11.0436 11.0436 12.2995 12.2995 k =-0.2450 0.2841 0.3751 ( 1720 PWs) bands (ev): -34.1898 -34.1898 -15.4919 -15.4919 -15.1436 -15.1436 -15.0187 -15.0187 -7.8828 -7.8828 1.6888 1.6888 1.6960 1.6960 2.9507 2.9507 3.9878 3.9878 9.3464 9.3464 10.0285 10.0285 11.0770 11.0770 12.3391 12.3391 k =-0.2388 0.2770 0.3657 ( 1724 PWs) bands (ev): -34.1900 -34.1900 -15.4911 -15.4911 -15.1429 -15.1429 -15.0172 -15.0172 -7.8883 -7.8883 1.6850 1.6850 1.7394 1.7394 2.9613 2.9613 3.9581 3.9581 9.2790 9.2790 9.9551 9.9551 11.0992 11.0992 12.3615 12.3615 k =-0.2327 0.2699 0.3564 ( 1724 PWs) bands (ev): -34.1902 -34.1902 -15.4900 -15.4900 -15.1420 -15.1420 -15.0157 -15.0157 -7.8946 -7.8946 1.6839 1.6839 1.7831 1.7831 2.9732 2.9732 3.9289 3.9289 9.2141 9.2141 9.8828 9.8828 11.1099 11.1099 12.2850 12.2850 k =-0.2266 0.2628 0.3470 ( 1728 PWs) bands (ev): -34.1904 -34.1904 -15.4888 -15.4888 -15.1410 -15.1410 -15.0142 -15.0142 -7.9016 -7.9016 1.6854 1.6854 1.8270 1.8270 2.9863 2.9863 3.9002 3.9002 9.1516 9.1516 9.8115 9.8115 11.1089 11.1089 12.2095 12.2095 k =-0.2205 0.2557 0.3376 ( 1730 PWs) bands (ev): -34.1906 -34.1906 -15.4874 -15.4874 -15.1400 -15.1400 -15.0127 -15.0127 -7.9093 -7.9093 1.6895 1.6895 1.8712 1.8712 3.0006 3.0006 3.8721 3.8721 9.0916 9.0916 9.7414 9.7414 11.0964 11.0964 12.1355 12.1355 k =-0.2143 0.2486 0.3282 ( 1730 PWs) bands (ev): -34.1908 -34.1908 -15.4858 -15.4858 -15.1387 -15.1387 -15.0113 -15.0113 -7.9177 -7.9177 1.6960 1.6960 1.9154 1.9154 3.0161 3.0161 3.8448 3.8448 9.0342 9.0342 9.6727 9.6727 11.0729 11.0729 12.0631 12.0631 k =-0.2082 0.2415 0.3188 ( 1726 PWs) bands (ev): -34.1911 -34.1911 -15.4841 -15.4841 -15.1374 -15.1374 -15.0099 -15.0099 -7.9268 -7.9268 1.7048 1.7048 1.9597 1.9597 3.0327 3.0327 3.8183 3.8183 8.9794 8.9794 9.6052 9.6052 11.0393 11.0393 11.9922 11.9922 k =-0.2021 0.2344 0.3095 ( 1734 PWs) bands (ev): -34.1913 -34.1913 -15.4823 -15.4823 -15.1360 -15.1360 -15.0086 -15.0086 -7.9365 -7.9365 1.7158 1.7158 2.0039 2.0039 3.0503 3.0503 3.7926 3.7926 8.9272 8.9272 9.5392 9.5392 10.9965 10.9965 11.9224 11.9224 k =-0.1960 0.2273 0.3001 ( 1730 PWs) bands (ev): -34.1916 -34.1916 -15.4802 -15.4802 -15.1344 -15.1344 -15.0072 -15.0072 -7.9468 -7.9468 1.7289 1.7289 2.0480 2.0480 3.0691 3.0691 3.7680 3.7680 8.8776 8.8776 9.4746 9.4746 10.9459 10.9459 11.8535 11.8535 k =-0.1898 0.2202 0.2907 ( 1730 PWs) bands (ev): -34.1919 -34.1919 -15.4781 -15.4781 -15.1327 -15.1327 -15.0059 -15.0059 -7.9577 -7.9577 1.7440 1.7440 2.0919 2.0919 3.0888 3.0888 3.7444 3.7444 8.8307 8.8307 9.4116 9.4116 10.8885 10.8885 11.7850 11.7850 k =-0.1837 0.2131 0.2813 ( 1734 PWs) bands (ev): -34.1922 -34.1922 -15.4759 -15.4759 -15.1310 -15.1310 -15.0047 -15.0047 -7.9690 -7.9690 1.7608 1.7608 2.1354 2.1354 3.1095 3.1095 3.7221 3.7221 8.7864 8.7864 9.3502 9.3502 10.8257 10.8257 11.7165 11.7165 k =-0.1776 0.2060 0.2720 ( 1734 PWs) bands (ev): -34.1925 -34.1925 -15.4736 -15.4736 -15.1292 -15.1292 -15.0034 -15.0034 -7.9808 -7.9808 1.7792 1.7792 2.1786 2.1786 3.1311 3.1311 3.7009 3.7009 8.7448 8.7448 9.2903 9.2903 10.7586 10.7586 11.6476 11.6476 k =-0.1715 0.1989 0.2626 ( 1728 PWs) bands (ev): -34.1928 -34.1928 -15.4712 -15.4712 -15.1272 -15.1272 -15.0022 -15.0022 -7.9929 -7.9929 1.7991 1.7991 2.2213 2.2213 3.1535 3.1535 3.6812 3.6812 8.7059 8.7059 9.2322 9.2322 10.6884 10.6884 11.5781 11.5781 k =-0.1653 0.1918 0.2532 ( 1728 PWs) bands (ev): -34.1931 -34.1931 -15.4687 -15.4687 -15.1252 -15.1252 -15.0010 -15.0010 -8.0054 -8.0054 1.8202 1.8202 2.2634 2.2634 3.1767 3.1767 3.6630 3.6630 8.6696 8.6696 9.1758 9.1758 10.6159 10.6159 11.5078 11.5078 k =-0.1592 0.1847 0.2438 ( 1732 PWs) bands (ev): -34.1934 -34.1934 -15.4662 -15.4662 -15.1232 -15.1232 -14.9999 -14.9999 -8.0182 -8.0182 1.8423 1.8423 2.3049 2.3049 3.2005 3.2005 3.6463 3.6463 8.6359 8.6359 9.1211 9.1211 10.5419 10.5419 11.4365 11.4365 k =-0.1531 0.1776 0.2344 ( 1722 PWs) bands (ev): -34.1938 -34.1938 -15.4636 -15.4636 -15.1209 -15.1209 -14.9987 -14.9987 -8.0311 -8.0311 1.8653 1.8653 2.3456 2.3456 3.2249 3.2249 3.6312 3.6312 8.6049 8.6049 9.0683 9.0683 10.4673 10.4673 11.3643 11.3643 k =-0.1470 0.1704 0.2251 ( 1722 PWs) bands (ev): -34.1941 -34.1941 -15.4611 -15.4611 -15.1187 -15.1187 -14.9976 -14.9976 -8.0442 -8.0442 1.8888 1.8888 2.3855 2.3855 3.2498 3.2498 3.6179 3.6179 8.5764 8.5764 9.0172 9.0172 10.3924 10.3924 11.2914 11.2914 k =-0.1408 0.1633 0.2157 ( 1722 PWs) bands (ev): -34.1944 -34.1944 -15.4585 -15.4585 -15.1165 -15.1165 -14.9965 -14.9965 -8.0574 -8.0574 1.9128 1.9128 2.4245 2.4245 3.2751 3.2751 3.6064 3.6064 8.5504 8.5504 8.9680 8.9680 10.3179 10.3179 11.2178 11.2178 k =-0.1347 0.1562 0.2063 ( 1722 PWs) bands (ev): -34.1948 -34.1948 -15.4560 -15.4560 -15.1142 -15.1142 -14.9955 -14.9955 -8.0706 -8.0706 1.9369 1.9369 2.4624 2.4624 3.3007 3.3007 3.5968 3.5968 8.5269 8.5269 8.9207 8.9207 10.2441 10.2441 11.1439 11.1439 k =-0.1286 0.1491 0.1969 ( 1724 PWs) bands (ev): -34.1951 -34.1951 -15.4535 -15.4535 -15.1119 -15.1119 -14.9945 -14.9945 -8.0838 -8.0838 1.9609 1.9609 2.4992 2.4992 3.3265 3.3265 3.5891 3.5891 8.5057 8.5057 8.8754 8.8754 10.1714 10.1714 11.0698 11.0698 k =-0.1225 0.1420 0.1876 ( 1724 PWs) bands (ev): -34.1954 -34.1954 -15.4510 -15.4510 -15.1096 -15.1096 -14.9935 -14.9935 -8.0969 -8.0969 1.9846 1.9846 2.5349 2.5349 3.3523 3.3523 3.5834 3.5834 8.4869 8.4869 8.8320 8.8320 10.1002 10.1002 10.9960 10.9960 k =-0.1164 0.1349 0.1782 ( 1724 PWs) bands (ev): -34.1957 -34.1957 -15.4486 -15.4486 -15.1072 -15.1072 -14.9925 -14.9925 -8.1098 -8.1098 2.0078 2.0078 2.5693 2.5693 3.3781 3.3781 3.5796 3.5796 8.4703 8.4703 8.7905 8.7905 10.0307 10.0307 10.9226 10.9226 k =-0.1102 0.1278 0.1688 ( 1724 PWs) bands (ev): -34.1960 -34.1960 -15.4462 -15.4462 -15.1049 -15.1049 -14.9915 -14.9915 -8.1225 -8.1225 2.0303 2.0303 2.6024 2.6024 3.4036 3.4036 3.5778 3.5778 8.4559 8.4559 8.7511 8.7511 9.9632 9.9632 10.8502 10.8502 k =-0.1041 0.1207 0.1594 ( 1720 PWs) bands (ev): -34.1963 -34.1963 -15.4439 -15.4439 -15.1026 -15.1026 -14.9906 -14.9906 -8.1349 -8.1349 2.0520 2.0520 2.6340 2.6340 3.4289 3.4289 3.5778 3.5778 8.4434 8.4434 8.7137 8.7137 9.8979 9.8979 10.7790 10.7790 k =-0.0980 0.1136 0.1500 ( 1716 PWs) bands (ev): -34.1966 -34.1966 -15.4417 -15.4417 -15.1003 -15.1003 -14.9897 -14.9897 -8.1469 -8.1469 2.0726 2.0726 2.6642 2.6642 3.4537 3.4537 3.5797 3.5797 8.4329 8.4329 8.6783 8.6783 9.8350 9.8350 10.7095 10.7095 k =-0.0919 0.1065 0.1407 ( 1716 PWs) bands (ev): -34.1969 -34.1969 -15.4396 -15.4396 -15.0980 -15.0980 -14.9888 -14.9888 -8.1586 -8.1586 2.0920 2.0920 2.6929 2.6929 3.4780 3.4780 3.5834 3.5834 8.4240 8.4240 8.6449 8.6449 9.7746 9.7746 10.6419 10.6419 k =-0.0857 0.0994 0.1313 ( 1712 PWs) bands (ev): -34.1972 -34.1972 -15.4376 -15.4376 -15.0958 -15.0958 -14.9880 -14.9880 -8.1697 -8.1697 2.1102 2.1102 2.7199 2.7199 3.5015 3.5015 3.5885 3.5885 8.4168 8.4168 8.6137 8.6137 9.7169 9.7169 10.5768 10.5768 k =-0.0796 0.0923 0.1219 ( 1710 PWs) bands (ev): -34.1975 -34.1975 -15.4357 -15.4357 -15.0937 -15.0937 -14.9872 -14.9872 -8.1804 -8.1804 2.1270 2.1270 2.7453 2.7453 3.5241 3.5241 3.5951 3.5951 8.4111 8.4111 8.5845 8.5845 9.6622 9.6622 10.5145 10.5145 k =-0.0735 0.0852 0.1125 ( 1710 PWs) bands (ev): -34.1977 -34.1977 -15.4340 -15.4340 -15.0918 -15.0918 -14.9865 -14.9865 -8.1905 -8.1905 2.1425 2.1425 2.7690 2.7690 3.5457 3.5457 3.6028 3.6028 8.4067 8.4067 8.5574 8.5574 9.6106 9.6106 10.4553 10.4553 k =-0.0674 0.0781 0.1032 ( 1706 PWs) bands (ev): -34.1979 -34.1979 -15.4323 -15.4323 -15.0899 -15.0899 -14.9858 -14.9858 -8.2000 -8.2000 2.1565 2.1565 2.7909 2.7909 3.5662 3.5662 3.6115 3.6115 8.4034 8.4034 8.5325 8.5325 9.5622 9.5622 10.3995 10.3995 k =-0.0612 0.0710 0.0938 ( 1710 PWs) bands (ev): -34.1982 -34.1982 -15.4308 -15.4308 -15.0881 -15.0881 -14.9851 -14.9851 -8.2088 -8.2088 2.1691 2.1691 2.8111 2.8111 3.5854 3.5854 3.6208 3.6208 8.4011 8.4011 8.5097 8.5097 9.5171 9.5171 10.3475 10.3475 k =-0.0551 0.0639 0.0844 ( 1706 PWs) bands (ev): -34.1983 -34.1983 -15.4294 -15.4294 -15.0865 -15.0865 -14.9845 -14.9845 -8.2169 -8.2169 2.1803 2.1803 2.8294 2.8294 3.6031 3.6031 3.6305 3.6305 8.3996 8.3996 8.4891 8.4891 9.4757 9.4757 10.2996 10.2996 k =-0.0490 0.0568 0.0750 ( 1706 PWs) bands (ev): -34.1985 -34.1985 -15.4282 -15.4282 -15.0850 -15.0850 -14.9839 -14.9839 -8.2243 -8.2243 2.1901 2.1901 2.8459 2.8459 3.6193 3.6193 3.6403 3.6403 8.3987 8.3987 8.4706 8.4706 9.4380 9.4380 10.2560 10.2560 k =-0.0429 0.0497 0.0656 ( 1702 PWs) bands (ev): -34.1987 -34.1987 -15.4271 -15.4271 -15.0836 -15.0836 -14.9833 -14.9833 -8.2308 -8.2308 2.1986 2.1986 2.8605 2.8605 3.6337 3.6337 3.6500 3.6500 8.3985 8.3985 8.4542 8.4542 9.4042 9.4042 10.2171 10.2171 k =-0.0367 0.0426 0.0563 ( 1702 PWs) bands (ev): -34.1988 -34.1988 -15.4262 -15.4262 -15.0825 -15.0825 -14.9829 -14.9829 -8.2366 -8.2366 2.2059 2.2059 2.8732 2.8732 3.6462 3.6462 3.6592 3.6592 8.3985 8.3985 8.4400 8.4400 9.3746 9.3746 10.1829 10.1829 k =-0.0306 0.0355 0.0469 ( 1693 PWs) bands (ev): -34.1989 -34.1989 -15.4253 -15.4253 -15.0814 -15.0814 -14.9824 -14.9824 -8.2415 -8.2415 2.2119 2.2119 2.8840 2.8840 3.6568 3.6568 3.6677 3.6677 8.3988 8.3988 8.4281 8.4281 9.3492 9.3492 10.1537 10.1537 k =-0.0245 0.0284 0.0375 ( 1693 PWs) bands (ev): -34.1990 -34.1990 -15.4246 -15.4246 -15.0806 -15.0806 -14.9821 -14.9821 -8.2456 -8.2456 2.2167 2.2167 2.8928 2.8928 3.6654 3.6654 3.6753 3.6753 8.3991 8.3991 8.4183 8.4183 9.3282 9.3282 10.1296 10.1296 k =-0.0184 0.0213 0.0281 ( 1689 PWs) bands (ev): -34.1991 -34.1991 -15.4241 -15.4241 -15.0799 -15.0799 -14.9818 -14.9818 -8.2488 -8.2488 2.2204 2.2204 2.8997 2.8997 3.6721 3.6721 3.6815 3.6815 8.3993 8.3993 8.4109 8.4109 9.3116 9.3116 10.1107 10.1107 k =-0.0122 0.0142 0.0188 ( 1685 PWs) bands (ev): -34.1991 -34.1991 -15.4237 -15.4237 -15.0794 -15.0794 -14.9816 -14.9816 -8.2510 -8.2510 2.2230 2.2230 2.9046 2.9046 3.6768 3.6768 3.6861 3.6861 8.3993 8.3993 8.4059 8.4059 9.2998 9.2998 10.0972 10.0972 k =-0.0061 0.0071 0.0094 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0791 -15.0791 -14.9815 -14.9815 -8.2524 -8.2524 2.2246 2.2246 2.9076 2.9076 3.6796 3.6796 3.6889 3.6889 8.3987 8.3987 8.4035 8.4035 9.2927 9.2927 10.0891 10.0891 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0790 -15.0790 -14.9814 -14.9814 -8.2528 -8.2528 2.2251 2.2251 2.9086 2.9086 3.6806 3.6806 3.6899 3.6899 8.3983 8.3983 8.4029 8.4029 9.2903 9.2903 10.0864 10.0864 k = 0.0000 0.0000 0.0000 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0790 -15.0790 -14.9814 -14.9814 -8.2528 -8.2528 2.2251 2.2251 2.9086 2.9086 3.6806 3.6806 3.6899 3.6899 8.3983 8.3983 8.4029 8.4029 9.2903 9.2903 10.0864 10.0864 k = 0.0100 0.0086 0.0000 ( 1677 PWs) bands (ev): -34.1992 -34.1992 -15.4234 -15.4234 -15.0790 -15.0790 -14.9815 -14.9815 -8.2526 -8.2526 2.2146 2.2146 2.9199 2.9199 3.6798 3.6798 3.6891 3.6891 8.4012 8.4012 8.4058 8.4058 9.2889 9.2889 10.0876 10.0876 k = 0.0200 0.0172 0.0000 ( 1685 PWs) bands (ev): -34.1992 -34.1992 -15.4236 -15.4236 -15.0791 -15.0791 -14.9819 -14.9819 -8.2517 -8.2517 2.1850 2.1850 2.9519 2.9519 3.6773 3.6773 3.6866 3.6866 8.4099 8.4099 8.4145 8.4145 9.2846 9.2846 10.0914 10.0914 k = 0.0300 0.0259 0.0000 ( 1693 PWs) bands (ev): -34.1991 -34.1991 -15.4238 -15.4238 -15.0793 -15.0793 -14.9824 -14.9824 -8.2503 -8.2503 2.1408 2.1408 3.0001 3.0001 3.6731 3.6731 3.6825 3.6825 8.4244 8.4244 8.4290 8.4290 9.2775 9.2775 10.0978 10.0978 k = 0.0400 0.0345 0.0000 ( 1701 PWs) bands (ev): -34.1991 -34.1991 -15.4241 -15.4241 -15.0795 -15.0795 -14.9831 -14.9831 -8.2483 -8.2483 2.0866 2.0866 3.0597 3.0597 3.6674 3.6674 3.6768 3.6768 8.4447 8.4447 8.4493 8.4493 9.2677 9.2677 10.1066 10.1066 k = 0.0500 0.0431 0.0000 ( 1717 PWs) bands (ev): -34.1991 -34.1991 -15.4246 -15.4246 -15.0798 -15.0798 -14.9840 -14.9840 -8.2458 -8.2458 2.0261 2.0261 3.1272 3.1272 3.6601 3.6601 3.6695 3.6695 8.4707 8.4707 8.4753 8.4753 9.2553 9.2553 10.1180 10.1180 k = 0.0600 0.0517 0.0000 ( 1709 PWs) bands (ev): -34.1990 -34.1990 -15.4249 -15.4249 -15.0800 -15.0800 -14.9849 -14.9849 -8.2427 -8.2427 1.9619 1.9619 3.1999 3.1999 3.6514 3.6514 3.6608 3.6608 8.5022 8.5022 8.5069 8.5069 9.2403 9.2403 10.1319 10.1319 k = 0.0700 0.0604 0.0000 ( 1709 PWs) bands (ev): -34.1989 -34.1989 -15.4254 -15.4254 -15.0803 -15.0803 -14.9861 -14.9861 -8.2391 -8.2391 1.8958 1.8958 3.2758 3.2758 3.6413 3.6413 3.6507 3.6507 8.5392 8.5392 8.5439 8.5439 9.2228 9.2228 10.1483 10.1483 k = 0.0800 0.0690 0.0000 ( 1713 PWs) bands (ev): -34.1988 -34.1988 -15.4260 -15.4260 -15.0807 -15.0807 -14.9874 -14.9874 -8.2350 -8.2350 1.8288 1.8288 3.3539 3.3539 3.6299 3.6299 3.6394 3.6394 8.5815 8.5815 8.5863 8.5863 9.2031 9.2031 10.1671 10.1671 k = 0.0900 0.0776 0.0000 ( 1705 PWs) bands (ev): -34.1986 -34.1986 -15.4266 -15.4266 -15.0811 -15.0811 -14.9888 -14.9888 -8.2304 -8.2304 1.7620 1.7620 3.4330 3.4330 3.6174 3.6174 3.6268 3.6268 8.6290 8.6290 8.6338 8.6338 9.1813 9.1813 10.1882 10.1882 k = 0.1000 0.0862 0.0000 ( 1705 PWs) bands (ev): -34.1985 -34.1985 -15.4273 -15.4273 -15.0815 -15.0815 -14.9905 -14.9905 -8.2254 -8.2254 1.6957 1.6957 3.5126 3.5126 3.6038 3.6038 3.6132 3.6132 8.6815 8.6815 8.6864 8.6864 9.1574 9.1574 10.2116 10.2116 k = 0.1100 0.0948 0.0000 ( 1705 PWs) bands (ev): -34.1983 -34.1983 -15.4281 -15.4281 -15.0820 -15.0820 -14.9922 -14.9922 -8.2200 -8.2200 1.6305 1.6305 3.5865 3.5865 3.5948 3.5948 3.5987 3.5987 8.7388 8.7388 8.7437 8.7437 9.1316 9.1316 10.2371 10.2371 k = 0.1200 0.1035 0.0000 ( 1705 PWs) bands (ev): -34.1982 -34.1982 -15.4289 -15.4289 -15.0825 -15.0825 -14.9941 -14.9941 -8.2142 -8.2142 1.5668 1.5668 3.5734 3.5734 3.5833 3.5833 3.6714 3.6714 8.8008 8.8008 8.8058 8.8058 9.1042 9.1042 10.2648 10.2648 k = 0.1300 0.1121 0.0000 ( 1705 PWs) bands (ev): -34.1980 -34.1980 -15.4298 -15.4298 -15.0831 -15.0831 -14.9961 -14.9961 -8.2080 -8.2080 1.5048 1.5048 3.5573 3.5573 3.5671 3.5671 3.7493 3.7493 8.8672 8.8672 8.8723 8.8723 9.0753 9.0753 10.2945 10.2945 k = 0.1400 0.1207 0.0000 ( 1705 PWs) bands (ev): -34.1978 -34.1978 -15.4308 -15.4308 -15.0837 -15.0837 -14.9983 -14.9983 -8.2016 -8.2016 1.4446 1.4446 3.5405 3.5405 3.5504 3.5504 3.8259 3.8259 8.9379 8.9379 8.9430 8.9430 9.0451 9.0451 10.3259 10.3259 k = 0.1500 0.1293 0.0000 ( 1705 PWs) bands (ev): -34.1976 -34.1976 -15.4317 -15.4317 -15.0843 -15.0843 -15.0005 -15.0005 -8.1949 -8.1949 1.3865 1.3865 3.5232 3.5232 3.5332 3.5332 3.9010 3.9010 9.0124 9.0124 9.0127 9.0127 9.0191 9.0191 10.3591 10.3591 k = 0.1600 0.1380 0.0000 ( 1705 PWs) bands (ev): -34.1974 -34.1974 -15.4328 -15.4328 -15.0849 -15.0849 -15.0028 -15.0028 -8.1880 -8.1880 1.3306 1.3306 3.5055 3.5055 3.5155 3.5155 3.9741 3.9741 8.9813 8.9813 9.0913 9.0913 9.0966 9.0966 10.3937 10.3937 k = 0.1700 0.1466 0.0000 ( 1705 PWs) bands (ev): -34.1972 -34.1972 -15.4339 -15.4339 -15.0856 -15.0856 -15.0052 -15.0052 -8.1809 -8.1809 1.2770 1.2770 3.4875 3.4875 3.4976 3.4976 4.0451 4.0451 8.9482 8.9482 9.1735 9.1735 9.1789 9.1789 10.4296 10.4296 k = 0.1800 0.1552 0.0000 ( 1713 PWs) bands (ev): -34.1970 -34.1970 -15.4350 -15.4350 -15.0864 -15.0864 -15.0077 -15.0077 -8.1736 -8.1736 1.2258 1.2258 3.4694 3.4694 3.4796 3.4796 4.1136 4.1136 8.9144 8.9144 9.2591 9.2591 9.2646 9.2646 10.4665 10.4665 k = 0.1900 0.1638 0.0000 ( 1713 PWs) bands (ev): -34.1968 -34.1968 -15.4362 -15.4362 -15.0871 -15.0871 -15.0102 -15.0102 -8.1663 -8.1663 1.1771 1.1771 3.4511 3.4511 3.4614 3.4614 4.1796 4.1796 8.8802 8.8802 9.3478 9.3478 9.3534 9.3534 10.5041 10.5041 k = 0.2000 0.1725 0.0000 ( 1713 PWs) bands (ev): -34.1965 -34.1965 -15.4374 -15.4374 -15.0878 -15.0878 -15.0128 -15.0128 -8.1588 -8.1588 1.1309 1.1309 3.4329 3.4329 3.4432 3.4432 4.2428 4.2428 8.8457 8.8457 9.4395 9.4395 9.4452 9.4452 10.5422 10.5422 k = 0.2100 0.1811 0.0000 ( 1713 PWs) bands (ev): -34.1963 -34.1963 -15.4386 -15.4386 -15.0886 -15.0886 -15.0154 -15.0154 -8.1513 -8.1513 1.0872 1.0872 3.4147 3.4147 3.4252 3.4252 4.3029 4.3029 8.8111 8.8111 9.5339 9.5339 9.5396 9.5396 10.5802 10.5802 k = 0.2200 0.1897 0.0000 ( 1713 PWs) bands (ev): -34.1961 -34.1961 -15.4398 -15.4398 -15.0894 -15.0894 -15.0180 -15.0180 -8.1439 -8.1439 1.0462 1.0462 3.3967 3.3967 3.4072 3.4072 4.3600 4.3600 8.7764 8.7764 9.6306 9.6306 9.6365 9.6365 10.6179 10.6179 k = 0.2300 0.1983 0.0000 ( 1713 PWs) bands (ev): -34.1958 -34.1958 -15.4411 -15.4411 -15.0901 -15.0901 -15.0207 -15.0207 -8.1364 -8.1364 1.0077 1.0077 3.3789 3.3789 3.3896 3.3896 4.4137 4.4137 8.7419 8.7419 9.7296 9.7296 9.7355 9.7355 10.6548 10.6548 k = 0.2400 0.2069 0.0000 ( 1713 PWs) bands (ev): -34.1956 -34.1956 -15.4423 -15.4423 -15.0909 -15.0909 -15.0233 -15.0233 -8.1291 -8.1291 0.9718 0.9718 3.3615 3.3615 3.3722 3.3722 4.4641 4.4641 8.7076 8.7076 9.8303 9.8303 9.8364 9.8364 10.6905 10.6905 k = 0.2500 0.2156 0.0000 ( 1713 PWs) bands (ev): -34.1953 -34.1953 -15.4436 -15.4436 -15.0917 -15.0917 -15.0259 -15.0259 -8.1218 -8.1218 0.9384 0.9384 3.3444 3.3444 3.3552 3.3552 4.5111 4.5111 8.6737 8.6737 9.9326 9.9326 9.9388 9.9388 10.7245 10.7245 k = 0.2600 0.2242 0.0000 ( 1717 PWs) bands (ev): -34.1951 -34.1951 -15.4449 -15.4449 -15.0925 -15.0925 -15.0286 -15.0286 -8.1147 -8.1147 0.9076 0.9076 3.3277 3.3277 3.3386 3.3386 4.5545 4.5545 8.6404 8.6404 10.0362 10.0362 10.0425 10.0425 10.7563 10.7563 k = 0.2700 0.2328 0.0000 ( 1717 PWs) bands (ev): -34.1948 -34.1948 -15.4462 -15.4462 -15.0933 -15.0933 -15.0312 -15.0312 -8.1077 -8.1077 0.8793 0.8793 3.3115 3.3115 3.3225 3.3225 4.5944 4.5944 8.6077 8.6077 10.1406 10.1406 10.1470 10.1470 10.7856 10.7856 k = 0.2800 0.2414 0.0000 ( 1709 PWs) bands (ev): -34.1946 -34.1946 -15.4474 -15.4474 -15.0940 -15.0940 -15.0337 -15.0337 -8.1010 -8.1010 0.8533 0.8533 3.2957 3.2957 3.3069 3.3069 4.6309 4.6309 8.5756 8.5756 10.2456 10.2456 10.2521 10.2521 10.8121 10.8121 k = 0.2900 0.2501 0.0000 ( 1717 PWs) bands (ev): -34.1944 -34.1944 -15.4487 -15.4487 -15.0948 -15.0948 -15.0362 -15.0362 -8.0945 -8.0945 0.8298 0.8298 3.2806 3.2806 3.2918 3.2918 4.6638 4.6638 8.5444 8.5444 10.3506 10.3506 10.3573 10.3573 10.8354 10.8354 k = 0.3000 0.2587 0.0000 ( 1705 PWs) bands (ev): -34.1941 -34.1941 -15.4498 -15.4498 -15.0956 -15.0956 -15.0385 -15.0385 -8.0882 -8.0882 0.8085 0.8085 3.2660 3.2660 3.2773 3.2773 4.6933 4.6933 8.5141 8.5141 10.4554 10.4554 10.4622 10.4622 10.8554 10.8554 k = 0.3100 0.2673 0.0000 ( 1705 PWs) bands (ev): -34.1939 -34.1939 -15.4510 -15.4510 -15.0963 -15.0963 -15.0409 -15.0409 -8.0821 -8.0821 0.7894 0.7894 3.2520 3.2520 3.2634 3.2634 4.7195 4.7195 8.4848 8.4848 10.5593 10.5593 10.5663 10.5663 10.8719 10.8719 k = 0.3200 0.2759 0.0000 ( 1705 PWs) bands (ev): -34.1936 -34.1936 -15.4522 -15.4522 -15.0970 -15.0970 -15.0432 -15.0432 -8.0763 -8.0763 0.7724 0.7724 3.2386 3.2386 3.2501 3.2501 4.7424 4.7424 8.4566 8.4566 10.6620 10.6620 10.6690 10.6690 10.8849 10.8849 k = 0.3300 0.2845 0.0000 ( 1713 PWs) bands (ev): -34.1934 -34.1934 -15.4534 -15.4534 -15.0978 -15.0978 -15.0455 -15.0455 -8.0708 -8.0708 0.7573 0.7573 3.2259 3.2259 3.2375 3.2375 4.7623 4.7623 8.4295 8.4295 10.7627 10.7627 10.7699 10.7699 10.8948 10.8948 k = 0.3400 0.2932 0.0000 ( 1713 PWs) bands (ev): -34.1932 -34.1932 -15.4544 -15.4544 -15.0985 -15.0985 -15.0476 -15.0476 -8.0656 -8.0656 0.7442 0.7442 3.2139 3.2139 3.2256 3.2256 4.7794 4.7794 8.4036 8.4036 10.8608 10.8608 10.8684 10.8684 10.9018 10.9018 k = 0.3500 0.3018 0.0000 ( 1705 PWs) bands (ev): -34.1930 -34.1930 -15.4555 -15.4555 -15.0991 -15.0991 -15.0496 -15.0496 -8.0607 -8.0607 0.7328 0.7328 3.2025 3.2025 3.2143 3.2143 4.7937 4.7937 8.3791 8.3791 10.9052 10.9052 10.9568 10.9568 10.9638 10.9638 k = 0.3600 0.3104 0.0000 ( 1713 PWs) bands (ev): -34.1928 -34.1928 -15.4565 -15.4565 -15.0998 -15.0998 -15.0515 -15.0515 -8.0561 -8.0561 0.7229 0.7229 3.1919 3.1919 3.2037 3.2037 4.8055 4.8055 8.3558 8.3558 10.9072 10.9072 11.0482 11.0482 11.0535 11.0535 k = 0.3700 0.3190 0.0000 ( 1713 PWs) bands (ev): -34.1926 -34.1926 -15.4575 -15.4575 -15.1004 -15.1004 -15.0534 -15.0534 -8.0518 -8.0518 0.7146 0.7146 3.1819 3.1819 3.1939 3.1939 4.8150 4.8150 8.3339 8.3339 10.9071 10.9071 11.0731 11.0731 11.1353 11.1353 k = 0.3800 0.3277 0.0000 ( 1705 PWs) bands (ev): -34.1924 -34.1924 -15.4583 -15.4583 -15.1009 -15.1009 -15.0550 -15.0550 -8.0479 -8.0479 0.7076 0.7076 3.1727 3.1727 3.1847 3.1847 4.8226 4.8226 8.3135 8.3135 10.9055 10.9055 11.0827 11.0827 11.2173 11.2173 k = 0.3900 0.3363 0.0000 ( 1709 PWs) bands (ev): -34.1923 -34.1923 -15.4592 -15.4592 -15.1014 -15.1014 -15.0566 -15.0566 -8.0442 -8.0442 0.7018 0.7018 3.1642 3.1642 3.1763 3.1763 4.8283 4.8283 8.2946 8.2946 10.9027 10.9027 11.0916 11.0916 11.2935 11.2935 k = 0.4000 0.3449 0.0000 ( 1709 PWs) bands (ev): -34.1921 -34.1921 -15.4600 -15.4600 -15.1019 -15.1019 -15.0581 -15.0581 -8.0409 -8.0409 0.6971 0.6971 3.1565 3.1565 3.1686 3.1686 4.8325 4.8325 8.2771 8.2771 10.8991 10.8991 11.0999 11.0999 11.3634 11.3634 k = 0.4100 0.3535 0.0000 ( 1705 PWs) bands (ev): -34.1920 -34.1920 -15.4607 -15.4607 -15.1024 -15.1024 -15.0594 -15.0594 -8.0379 -8.0379 0.6933 0.6933 3.1494 3.1494 3.1617 3.1617 4.8354 4.8354 8.2613 8.2613 10.8951 10.8951 11.1075 11.1075 11.4264 11.4264 k = 0.4200 0.3622 0.0000 ( 1697 PWs) bands (ev): -34.1919 -34.1919 -15.4613 -15.4613 -15.1027 -15.1027 -15.0605 -15.0605 -8.0353 -8.0353 0.6903 0.6903 3.1431 3.1431 3.1554 3.1554 4.8373 4.8373 8.2470 8.2470 10.8908 10.8908 11.1144 11.1144 11.4823 11.4823 k = 0.4300 0.3708 0.0000 ( 1697 PWs) bands (ev): -34.1917 -34.1917 -15.4619 -15.4619 -15.1031 -15.1031 -15.0616 -15.0616 -8.0329 -8.0329 0.6880 0.6880 3.1376 3.1376 3.1499 3.1499 4.8383 4.8383 8.2343 8.2343 10.8866 10.8866 11.1206 11.1206 11.5308 11.5308 k = 0.4400 0.3794 0.0000 ( 1705 PWs) bands (ev): -34.1917 -34.1917 -15.4624 -15.4624 -15.1034 -15.1034 -15.0626 -15.0626 -8.0309 -8.0309 0.6862 0.6862 3.1328 3.1328 3.1451 3.1451 4.8387 4.8387 8.2233 8.2233 10.8826 10.8826 11.1260 11.1260 11.5719 11.5719 k = 0.4500 0.3880 0.0000 ( 1717 PWs) bands (ev): -34.1916 -34.1916 -15.4629 -15.4629 -15.1037 -15.1037 -15.0635 -15.0635 -8.0292 -8.0292 0.6849 0.6849 3.1287 3.1287 3.1411 3.1411 4.8387 4.8387 8.2139 8.2139 10.8790 10.8790 11.1306 11.1306 11.6057 11.6057 k = 0.4600 0.3966 0.0000 ( 1717 PWs) bands (ev): -34.1915 -34.1915 -15.4633 -15.4633 -15.1040 -15.1040 -15.0641 -15.0641 -8.0278 -8.0278 0.6840 0.6840 3.1254 3.1254 3.1378 3.1378 4.8384 4.8384 8.2062 8.2062 10.8759 10.8759 11.1344 11.1344 11.6328 11.6328 k = 0.4700 0.4053 0.0000 ( 1717 PWs) bands (ev): -34.1915 -34.1915 -15.4635 -15.4635 -15.1041 -15.1041 -15.0647 -15.0647 -8.0267 -8.0267 0.6834 0.6834 3.1228 3.1228 3.1352 3.1352 4.8381 4.8381 8.2002 8.2002 10.8734 10.8734 11.1373 11.1373 11.6534 11.6534 k = 0.4800 0.4139 0.0000 ( 1721 PWs) bands (ev): -34.1914 -34.1914 -15.4638 -15.4638 -15.1043 -15.1043 -15.0651 -15.0651 -8.0260 -8.0260 0.6830 0.6830 3.1209 3.1209 3.1334 3.1334 4.8377 4.8377 8.1959 8.1959 10.8715 10.8715 11.1395 11.1395 11.6677 11.6677 k = 0.4900 0.4225 0.0000 ( 1721 PWs) bands (ev): -34.1914 -34.1914 -15.4639 -15.4639 -15.1043 -15.1043 -15.0653 -15.0653 -8.0255 -8.0255 0.6827 0.6827 3.1198 3.1198 3.1323 3.1323 4.8375 4.8375 8.1933 8.1933 10.8704 10.8704 11.1408 11.1408 11.6762 11.6762 k = 0.5000 0.4311 0.0000 ( 1718 PWs) bands (ev): -34.1914 -34.1914 -15.4639 -15.4639 -15.1044 -15.1044 -15.0653 -15.0653 -8.0254 -8.0254 0.6827 0.6827 3.1194 3.1194 3.1319 3.1319 4.8374 4.8374 8.1925 8.1925 10.8701 10.8701 11.1412 11.1412 11.6791 11.6791 k = 0.5000 0.4311 0.0000 ( 1718 PWs) bands (ev): -34.1914 -34.1914 -15.4639 -15.4639 -15.1044 -15.1044 -15.0653 -15.0653 -8.0254 -8.0254 0.6827 0.6827 3.1194 3.1194 3.1319 3.1319 4.8374 4.8374 8.1925 8.1925 10.8701 10.8701 11.1412 11.1412 11.6791 11.6791 k = 0.4940 0.4381 0.0093 ( 1722 PWs) bands (ev): -34.1914 -34.1914 -15.4640 -15.4640 -15.1044 -15.1044 -15.0654 -15.0654 -8.0251 -8.0251 0.6833 0.6833 3.1179 3.1179 3.1305 3.1305 4.8368 4.8368 8.1955 8.1955 10.8734 10.8734 11.1430 11.1430 11.6792 11.6792 k = 0.4879 0.4451 0.0185 ( 1722 PWs) bands (ev): -34.1914 -34.1914 -15.4641 -15.4641 -15.1047 -15.1047 -15.0653 -15.0653 -8.0242 -8.0242 0.6851 0.6851 3.1123 3.1123 3.1272 3.1272 4.8351 4.8351 8.2046 8.2046 10.8834 10.8834 11.1486 11.1486 11.6795 11.6795 k = 0.4819 0.4522 0.0278 ( 1722 PWs) bands (ev): -34.1914 -34.1914 -15.4642 -15.4642 -15.1050 -15.1050 -15.0652 -15.0652 -8.0228 -8.0228 0.6882 0.6882 3.1014 3.1014 3.1235 3.1235 4.8322 4.8322 8.2198 8.2198 10.9001 10.9001 11.1578 11.1578 11.6801 11.6801 k = 0.4758 0.4592 0.0370 ( 1712 PWs) bands (ev): -34.1913 -34.1913 -15.4644 -15.4644 -15.1054 -15.1054 -15.0650 -15.0650 -8.0208 -8.0208 0.6925 0.6925 3.0851 3.0851 3.1195 3.1195 4.8282 4.8282 8.2408 8.2408 10.9234 10.9234 11.1709 11.1709 11.6807 11.6807 k = 0.4698 0.4662 0.0463 ( 1712 PWs) bands (ev): -34.1913 -34.1913 -15.4647 -15.4647 -15.1061 -15.1061 -15.0648 -15.0648 -8.0182 -8.0182 0.6981 0.6981 3.0638 3.0638 3.1151 3.1151 4.8230 4.8230 8.2676 8.2676 10.9531 10.9531 11.1873 11.1873 11.6813 11.6813 k = 0.4638 0.4732 0.0555 ( 1710 PWs) bands (ev): -34.1912 -34.1912 -15.4651 -15.4651 -15.1069 -15.1069 -15.0646 -15.0646 -8.0152 -8.0152 0.7048 0.7048 3.0380 3.0380 3.1100 3.1100 4.8167 4.8167 8.2999 8.2999 10.9892 10.9892 11.2073 11.2073 11.6816 11.6816 k = 0.4577 0.4802 0.0648 ( 1708 PWs) bands (ev): -34.1911 -34.1911 -15.4656 -15.4656 -15.1078 -15.1078 -15.0643 -15.0643 -8.0116 -8.0116 0.7128 0.7128 3.0082 3.0082 3.1043 3.1043 4.8092 4.8092 8.3377 8.3377 11.0315 11.0315 11.2308 11.2308 11.6818 11.6818 k = 0.4517 0.4872 0.0740 ( 1710 PWs) bands (ev): -34.1911 -34.1911 -15.4661 -15.4661 -15.1089 -15.1089 -15.0639 -15.0639 -8.0076 -8.0076 0.7220 0.7220 2.9745 2.9745 3.0978 3.0978 4.8006 4.8006 8.3806 8.3806 11.0797 11.0797 11.2576 11.2576 11.6815 11.6815 k = 0.4456 0.4942 0.0833 ( 1702 PWs) bands (ev): -34.1910 -34.1910 -15.4667 -15.4667 -15.1100 -15.1100 -15.0634 -15.0634 -8.0031 -8.0031 0.7324 0.7324 2.9375 2.9375 3.0907 3.0907 4.7908 4.7908 8.4284 8.4284 11.1337 11.1337 11.2878 11.2878 11.6808 11.6808 k = 0.4396 0.5012 0.0925 ( 1702 PWs) bands (ev): -34.1909 -34.1909 -15.4673 -15.4673 -15.1113 -15.1113 -15.0629 -15.0629 -7.9981 -7.9981 0.7441 0.7441 2.8973 2.8973 3.0830 3.0830 4.7799 4.7799 8.4811 8.4811 11.1932 11.1932 11.3211 11.3211 11.6790 11.6790 k = 0.4336 0.5082 0.1018 ( 1700 PWs) bands (ev): -34.1908 -34.1908 -15.4681 -15.4681 -15.1128 -15.1128 -15.0622 -15.0622 -7.9928 -7.9928 0.7569 0.7569 2.8545 2.8545 3.0748 3.0748 4.7678 4.7678 8.5381 8.5381 11.2579 11.2579 11.3575 11.3575 11.6761 11.6761 k = 0.4275 0.5152 0.1110 ( 1696 PWs) bands (ev): -34.1907 -34.1907 -15.4689 -15.4689 -15.1143 -15.1143 -15.0615 -15.0615 -7.9871 -7.9871 0.7710 0.7710 2.8093 2.8093 3.0661 3.0661 4.7547 4.7547 8.5994 8.5994 11.3275 11.3275 11.3969 11.3969 11.6709 11.6709 k = 0.4215 0.5222 0.1203 ( 1698 PWs) bands (ev): -34.1906 -34.1906 -15.4698 -15.4698 -15.1159 -15.1159 -15.0608 -15.0608 -7.9811 -7.9811 0.7862 0.7862 2.7622 2.7622 3.0570 3.0570 4.7404 4.7404 8.6648 8.6648 11.4018 11.4018 11.4390 11.4390 11.6621 11.6621 k = 0.4154 0.5292 0.1295 ( 1696 PWs) bands (ev): -34.1904 -34.1904 -15.4707 -15.4707 -15.1176 -15.1176 -15.0599 -15.0599 -7.9749 -7.9749 0.8027 0.8027 2.7134 2.7134 3.0476 3.0476 4.7250 4.7250 8.7339 8.7339 11.4801 11.4801 11.4838 11.4838 11.6473 11.6473 k = 0.4094 0.5362 0.1388 ( 1692 PWs) bands (ev): -34.1903 -34.1903 -15.4717 -15.4717 -15.1193 -15.1193 -15.0590 -15.0590 -7.9684 -7.9684 0.8203 0.8203 2.6634 2.6634 3.0379 3.0379 4.7086 4.7086 8.8066 8.8066 11.5308 11.5308 11.5625 11.5625 11.6228 11.6228 k = 0.4033 0.5432 0.1480 ( 1694 PWs) bands (ev): -34.1902 -34.1902 -15.4727 -15.4727 -15.1211 -15.1211 -15.0580 -15.0580 -7.9617 -7.9617 0.8391 0.8391 2.6124 2.6124 3.0280 3.0280 4.6911 4.6911 8.8827 8.8827 11.5780 11.5780 11.5856 11.5856 11.6478 11.6478 k = 0.3973 0.5502 0.1573 ( 1694 PWs) bands (ev): -34.1901 -34.1901 -15.4738 -15.4738 -15.1229 -15.1229 -15.0569 -15.0569 -7.9548 -7.9548 0.8591 0.8591 2.5607 2.5607 3.0181 3.0181 4.6726 4.6726 8.9619 8.9619 11.5271 11.5271 11.6309 11.6309 11.6464 11.6464 k = 0.3913 0.5572 0.1665 ( 1694 PWs) bands (ev): -34.1900 -34.1900 -15.4750 -15.4750 -15.1248 -15.1248 -15.0558 -15.0558 -7.9479 -7.9479 0.8802 0.8802 2.5088 2.5088 3.0081 3.0081 4.6531 4.6531 9.0441 9.0441 11.4556 11.4556 11.6205 11.6205 11.6860 11.6860 k = 0.3852 0.5642 0.1758 ( 1698 PWs) bands (ev): -34.1899 -34.1899 -15.4762 -15.4762 -15.1266 -15.1266 -15.0546 -15.0546 -7.9410 -7.9410 0.9025 0.9025 2.4568 2.4568 2.9982 2.9982 4.6326 4.6326 9.1290 9.1290 11.3732 11.3732 11.5907 11.5907 11.7409 11.7409 k = 0.3792 0.5712 0.1850 ( 1700 PWs) bands (ev): -34.1898 -34.1898 -15.4775 -15.4775 -15.1285 -15.1285 -15.0533 -15.0533 -7.9340 -7.9340 0.9259 0.9259 2.4050 2.4050 2.9885 2.9885 4.6112 4.6112 9.2164 9.2164 11.2840 11.2840 11.5548 11.5548 11.7972 11.7972 k = 0.3731 0.5783 0.1943 ( 1704 PWs) bands (ev): -34.1897 -34.1897 -15.4788 -15.4788 -15.1302 -15.1302 -15.0520 -15.0520 -7.9272 -7.9272 0.9504 0.9504 2.3537 2.3537 2.9790 2.9790 4.5889 4.5889 9.3062 9.3062 11.1907 11.1907 11.5131 11.5131 11.8493 11.8493 k = 0.3671 0.5853 0.2035 ( 1706 PWs) bands (ev): -34.1895 -34.1895 -15.4801 -15.4801 -15.1320 -15.1320 -15.0507 -15.0507 -7.9204 -7.9204 0.9761 0.9761 2.3031 2.3031 2.9697 2.9697 4.5657 4.5657 9.3981 9.3981 11.0951 11.0951 11.4657 11.4657 11.8568 11.8568 k = 0.3611 0.5923 0.2128 ( 1708 PWs) bands (ev): -34.1895 -34.1895 -15.4814 -15.4814 -15.1336 -15.1336 -15.0493 -15.0493 -7.9139 -7.9139 1.0028 1.0028 2.2535 2.2535 2.9609 2.9609 4.5417 4.5417 9.4919 9.4919 10.9984 10.9984 11.4133 11.4133 11.8643 11.8643 k = 0.3550 0.5993 0.2220 ( 1706 PWs) bands (ev): -34.1894 -34.1894 -15.4826 -15.4826 -15.1352 -15.1352 -15.0478 -15.0478 -7.9075 -7.9075 1.0306 1.0306 2.2051 2.2051 2.9526 2.9526 4.5169 4.5169 9.5873 9.5873 10.9012 10.9012 11.3563 11.3563 11.8740 11.8740 k = 0.3490 0.6063 0.2313 ( 1706 PWs) bands (ev): -34.1893 -34.1893 -15.4839 -15.4839 -15.1366 -15.1366 -15.0463 -15.0463 -7.9014 -7.9014 1.0595 1.0595 2.1580 2.1580 2.9448 2.9448 4.4913 4.4913 9.6841 9.6841 10.8042 10.8042 11.2954 11.2954 11.8857 11.8857 k = 0.3429 0.6133 0.2405 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1380 -15.1380 -15.0448 -15.0448 -7.8957 -7.8957 1.0895 1.0895 2.1125 2.1125 2.9376 2.9376 4.4651 4.4651 9.7819 9.7819 10.7076 10.7076 11.2310 11.2310 11.8992 11.8992 k = 0.3429 0.6133 0.2405 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4852 -15.4852 -15.1380 -15.1380 -15.0448 -15.0448 -7.8957 -7.8957 1.0895 1.0895 2.1125 2.1125 2.9376 2.9376 4.4651 4.4651 9.7819 9.7819 10.7076 10.7076 11.2310 11.2310 11.8992 11.8992 k = 0.3311 0.6096 0.2454 ( 1707 PWs) bands (ev): -34.1892 -34.1892 -15.4858 -15.4858 -15.1387 -15.1387 -15.0439 -15.0439 -7.8928 -7.8928 1.1045 1.1045 2.0906 2.0906 2.9342 2.9342 4.4510 4.4510 9.8344 9.8344 10.6580 10.6580 11.1970 11.1970 11.9029 11.9029 k = 0.3193 0.6059 0.2503 ( 1707 PWs) bands (ev): -34.1891 -34.1891 -15.4864 -15.4864 -15.1394 -15.1394 -15.0429 -15.0429 -7.8902 -7.8902 1.1171 1.1171 2.0726 2.0726 2.9312 2.9312 4.4368 4.4368 9.8874 9.8874 10.6112 10.6112 11.1647 11.1647 11.8989 11.8989 k = 0.3075 0.6021 0.2552 ( 1707 PWs) bands (ev): -34.1891 -34.1891 -15.4870 -15.4870 -15.1400 -15.1400 -15.0419 -15.0419 -7.8876 -7.8876 1.1267 1.1267 2.0590 2.0590 2.9285 2.9285 4.4225 4.4225 9.9405 9.9405 10.5676 10.5676 11.1346 11.1346 11.8878 11.8878 k = 0.2956 0.5984 0.2601 ( 1705 PWs) bands (ev): -34.1891 -34.1891 -15.4876 -15.4876 -15.1406 -15.1406 -15.0407 -15.0407 -7.8853 -7.8853 1.1331 1.1331 2.0502 2.0502 2.9262 2.9262 4.4082 4.4082 9.9933 9.9933 10.5275 10.5275 11.1066 11.1066 11.8699 11.8699 k = 0.2838 0.5947 0.2651 ( 1703 PWs) bands (ev): -34.1891 -34.1891 -15.4881 -15.4881 -15.1412 -15.1412 -15.0395 -15.0395 -7.8831 -7.8831 1.1358 1.1358 2.0464 2.0464 2.9242 2.9242 4.3938 4.3938 10.0453 10.0453 10.4914 10.4914 11.0810 11.0810 11.8462 11.8462 k = 0.2720 0.5910 0.2700 ( 1703 PWs) bands (ev): -34.1891 -34.1891 -15.4887 -15.4887 -15.1417 -15.1417 -15.0382 -15.0382 -7.8810 -7.8810 1.1349 1.1349 2.0476 2.0476 2.9226 2.9226 4.3792 4.3792 10.0952 10.0952 10.4602 10.4602 11.0579 11.0579 11.8172 11.8172 k = 0.2602 0.5873 0.2749 ( 1703 PWs) bands (ev): -34.1891 -34.1891 -15.4892 -15.4892 -15.1422 -15.1422 -15.0369 -15.0369 -7.8791 -7.8791 1.1304 1.1304 2.0539 2.0539 2.9212 2.9212 4.3645 4.3645 10.1413 10.1413 10.4356 10.4356 11.0373 11.0373 11.7837 11.7837 k = 0.2483 0.5836 0.2798 ( 1704 PWs) bands (ev): -34.1891 -34.1891 -15.4897 -15.4897 -15.1427 -15.1427 -15.0355 -15.0355 -7.8773 -7.8773 1.1225 1.1225 2.0648 2.0648 2.9200 2.9200 4.3497 4.3497 10.1803 10.1803 10.4208 10.4208 11.0193 11.0193 11.7465 11.7465 k = 0.2365 0.5798 0.2847 ( 1706 PWs) bands (ev): -34.1891 -34.1891 -15.4902 -15.4902 -15.1431 -15.1431 -15.0341 -15.0341 -7.8756 -7.8756 1.1116 1.1116 2.0802 2.0802 2.9191 2.9191 4.3347 4.3347 10.2073 10.2073 10.4204 10.4204 11.0040 11.0040 11.7064 11.7064 k = 0.2247 0.5761 0.2896 ( 1708 PWs) bands (ev): -34.1892 -34.1892 -15.4907 -15.4907 -15.1436 -15.1436 -15.0327 -15.0327 -7.8740 -7.8740 1.0981 1.0981 2.0993 2.0993 2.9185 2.9185 4.3194 4.3194 10.2191 10.2191 10.4373 10.4373 10.9914 10.9914 11.6641 11.6641 k = 0.2129 0.5724 0.2945 ( 1706 PWs) bands (ev): -34.1892 -34.1892 -15.4912 -15.4912 -15.1439 -15.1439 -15.0313 -15.0313 -7.8726 -7.8726 1.0825 1.0825 2.1218 2.1218 2.9179 2.9179 4.3040 4.3040 10.2181 10.2181 10.4689 10.4689 10.9816 10.9816 11.6204 11.6204 k = 0.2010 0.5687 0.2994 ( 1703 PWs) bands (ev): -34.1892 -34.1892 -15.4916 -15.4916 -15.1443 -15.1443 -15.0298 -15.0298 -7.8712 -7.8712 1.0654 1.0654 2.1470 2.1470 2.9176 2.9176 4.2885 4.2885 10.2101 10.2101 10.5092 10.5092 10.9747 10.9747 11.5757 11.5757 k = 0.1892 0.5650 0.3043 ( 1703 PWs) bands (ev): -34.1892 -34.1892 -15.4920 -15.4920 -15.1446 -15.1446 -15.0284 -15.0284 -7.8699 -7.8699 1.0471 1.0471 2.1742 2.1742 2.9174 2.9174 4.2727 4.2727 10.1992 10.1992 10.5535 10.5535 10.9707 10.9707 11.5308 11.5308 k = 0.1774 0.5613 0.3092 ( 1707 PWs) bands (ev): -34.1893 -34.1893 -15.4925 -15.4925 -15.1449 -15.1449 -15.0270 -15.0270 -7.8688 -7.8688 1.0281 1.0281 2.2031 2.2031 2.9173 2.9173 4.2568 4.2568 10.1879 10.1879 10.5991 10.5991 10.9695 10.9695 11.4862 11.4862 k = 0.1656 0.5575 0.3141 ( 1713 PWs) bands (ev): -34.1893 -34.1893 -15.4929 -15.4929 -15.1452 -15.1452 -15.0257 -15.0257 -7.8677 -7.8677 1.0089 1.0089 2.2331 2.2331 2.9173 2.9173 4.2409 4.2409 10.1771 10.1771 10.6447 10.6447 10.9712 10.9712 11.4424 11.4424 k = 0.1537 0.5538 0.3190 ( 1715 PWs) bands (ev): -34.1894 -34.1894 -15.4933 -15.4933 -15.1455 -15.1455 -15.0243 -15.0243 -7.8667 -7.8667 0.9897 0.9897 2.2635 2.2635 2.9174 2.9174 4.2250 4.2250 10.1675 10.1675 10.6890 10.6890 10.9758 10.9758 11.4000 11.4000 k = 0.1419 0.5501 0.3239 ( 1713 PWs) bands (ev): -34.1894 -34.1894 -15.4937 -15.4937 -15.1457 -15.1457 -15.0230 -15.0230 -7.8658 -7.8658 0.9710 0.9710 2.2941 2.2941 2.9176 2.9176 4.2093 4.2093 10.1594 10.1594 10.7315 10.7315 10.9833 10.9833 11.3595 11.3595 k = 0.1301 0.5464 0.3288 ( 1715 PWs) bands (ev): -34.1894 -34.1894 -15.4940 -15.4940 -15.1460 -15.1460 -15.0218 -15.0218 -7.8650 -7.8650 0.9529 0.9529 2.3243 2.3243 2.9178 2.9178 4.1938 4.1938 10.1527 10.1527 10.7715 10.7715 10.9937 10.9937 11.3213 11.3213 k = 0.1183 0.5427 0.3338 ( 1716 PWs) bands (ev): -34.1895 -34.1895 -15.4943 -15.4943 -15.1461 -15.1461 -15.0207 -15.0207 -7.8642 -7.8642 0.9358 0.9358 2.3536 2.3536 2.9181 2.9181 4.1787 4.1787 10.1474 10.1474 10.8084 10.8084 11.0070 11.0070 11.2860 11.2860 k = 0.1064 0.5389 0.3387 ( 1714 PWs) bands (ev): -34.1895 -34.1895 -15.4946 -15.4946 -15.1463 -15.1463 -15.0196 -15.0196 -7.8635 -7.8635 0.9197 0.9197 2.3817 2.3817 2.9184 2.9184 4.1641 4.1641 10.1434 10.1434 10.8416 10.8416 11.0230 11.0230 11.2542 11.2542 k = 0.0946 0.5352 0.3436 ( 1718 PWs) bands (ev): -34.1895 -34.1895 -15.4949 -15.4949 -15.1465 -15.1465 -15.0186 -15.0186 -7.8629 -7.8629 0.9050 0.9050 2.4082 2.4082 2.9186 2.9186 4.1503 4.1503 10.1407 10.1407 10.8707 10.8707 11.0419 11.0419 11.2262 11.2262 k = 0.0828 0.5315 0.3485 ( 1714 PWs) bands (ev): -34.1895 -34.1895 -15.4951 -15.4951 -15.1466 -15.1466 -15.0177 -15.0177 -7.8624 -7.8624 0.8916 0.8916 2.4327 2.4327 2.9189 2.9189 4.1375 4.1375 10.1390 10.1390 10.8950 10.8950 11.0634 11.0634 11.2028 11.2028 k = 0.0710 0.5278 0.3534 ( 1716 PWs) bands (ev): -34.1896 -34.1896 -15.4953 -15.4953 -15.1467 -15.1467 -15.0169 -15.0169 -7.8619 -7.8619 0.8798 0.8798 2.4548 2.4548 2.9192 2.9192 4.1257 4.1257 10.1380 10.1380 10.9141 10.9141 11.0874 11.0874 11.1843 11.1843 k = 0.0591 0.5241 0.3583 ( 1717 PWs) bands (ev): -34.1896 -34.1896 -15.4955 -15.4955 -15.1468 -15.1468 -15.0162 -15.0162 -7.8616 -7.8616 0.8697 0.8697 2.4741 2.4741 2.9194 2.9194 4.1154 4.1154 10.1377 10.1377 10.9280 10.9280 11.1139 11.1139 11.1710 11.1710 k = 0.0473 0.5204 0.3632 ( 1719 PWs) bands (ev): -34.1896 -34.1896 -15.4957 -15.4957 -15.1469 -15.1469 -15.0157 -15.0157 -7.8612 -7.8612 0.8612 0.8612 2.4904 2.4904 2.9196 2.9196 4.1066 4.1066 10.1378 10.1378 10.9370 10.9370 11.1423 11.1423 11.1625 11.1625 k = 0.0355 0.5166 0.3681 ( 1723 PWs) bands (ev): -34.1896 -34.1896 -15.4958 -15.4958 -15.1469 -15.1469 -15.0153 -15.0153 -7.8610 -7.8610 0.8546 0.8546 2.5034 2.5034 2.9198 2.9198 4.0995 4.0995 10.1381 10.1381 10.9420 10.9420 11.1568 11.1568 11.1734 11.1734 k = 0.0237 0.5129 0.3730 ( 1725 PWs) bands (ev): -34.1896 -34.1896 -15.4959 -15.4959 -15.1470 -15.1470 -15.0150 -15.0150 -7.8608 -7.8608 0.8499 0.8499 2.5128 2.5128 2.9199 2.9199 4.0943 4.0943 10.1384 10.1384 10.9443 10.9443 11.1548 11.1548 11.2039 11.2039 k = 0.0118 0.5092 0.3779 ( 1722 PWs) bands (ev): -34.1896 -34.1896 -15.4960 -15.4960 -15.1470 -15.1470 -15.0148 -15.0148 -7.8607 -7.8607 0.8470 0.8470 2.5186 2.5186 2.9199 2.9199 4.0912 4.0912 10.1386 10.1386 10.9452 10.9452 11.1540 11.1540 11.2316 11.2316 k = 0.0000 0.5055 0.3828 ( 1722 PWs) bands (ev): -34.1896 -34.1896 -15.4960 -15.4960 -15.1470 -15.1470 -15.0147 -15.0147 -7.8607 -7.8607 0.8461 0.8461 2.5205 2.5205 2.9200 2.9200 4.0901 4.0901 10.1387 10.1387 10.9454 10.9454 11.1539 11.1539 11.2449 11.2449 k = 0.0000 0.5055 0.3828 ( 1722 PWs) bands (ev): -34.1896 -34.1896 -15.4960 -15.4960 -15.1470 -15.1470 -15.0147 -15.0147 -7.8607 -7.8607 0.8461 0.8461 2.5205 2.5205 2.9200 2.9200 4.0901 4.0901 10.1387 10.1387 10.9454 10.9454 11.1539 11.1539 11.2449 11.2449 k = 0.0061 0.4984 0.3922 ( 1724 PWs) bands (ev): -34.1896 -34.1896 -15.4960 -15.4960 -15.1471 -15.1471 -15.0148 -15.0148 -7.8608 -7.8608 0.8470 0.8470 2.5207 2.5207 2.9191 2.9191 4.0908 4.0908 10.1319 10.1319 10.9259 10.9259 11.1436 11.1436 11.2526 11.2526 k = 0.0122 0.4914 0.4015 ( 1722 PWs) bands (ev): -34.1896 -34.1896 -15.4959 -15.4959 -15.1472 -15.1472 -15.0149 -15.0149 -7.8612 -7.8612 0.8498 0.8498 2.5214 2.5214 2.9166 2.9166 4.0930 4.0930 10.1118 10.1118 10.8719 10.8719 11.1301 11.1301 11.2752 11.2752 k = 0.0183 0.4843 0.4108 ( 1720 PWs) bands (ev): -34.1896 -34.1896 -15.4959 -15.4959 -15.1473 -15.1473 -15.0150 -15.0150 -7.8619 -7.8619 0.8544 0.8544 2.5226 2.5226 2.9124 2.9124 4.0965 4.0965 10.0801 10.0801 10.7954 10.7954 11.1250 11.1250 11.3113 11.3113 k = 0.0244 0.4772 0.4202 ( 1722 PWs) bands (ev): -34.1895 -34.1895 -15.4959 -15.4959 -15.1477 -15.1477 -15.0152 -15.0152 -7.8629 -7.8629 0.8609 0.8609 2.5241 2.5241 2.9066 2.9066 4.1013 4.1013 10.0388 10.0388 10.7071 10.7071 11.1266 11.1266 11.3588 11.3588 k = 0.0305 0.4701 0.4295 ( 1722 PWs) bands (ev): -34.1895 -34.1895 -15.4958 -15.4958 -15.1480 -15.1480 -15.0155 -15.0155 -7.8641 -7.8641 0.8692 0.8692 2.5261 2.5261 2.8993 2.8993 4.1075 4.1075 9.9899 9.9899 10.6131 10.6131 11.1328 11.1328 11.4156 11.4156 k = 0.0366 0.4631 0.4389 ( 1722 PWs) bands (ev): -34.1894 -34.1894 -15.4957 -15.4957 -15.1485 -15.1485 -15.0158 -15.0158 -7.8656 -7.8656 0.8793 0.8793 2.5284 2.5284 2.8906 2.8906 4.1148 4.1148 9.9353 9.9353 10.5162 10.5162 11.1422 11.1422 11.4796 11.4796 k = 0.0427 0.4560 0.4482 ( 1722 PWs) bands (ev): -34.1893 -34.1893 -15.4957 -15.4957 -15.1490 -15.1490 -15.0161 -15.0161 -7.8673 -7.8673 0.8912 0.8912 2.5311 2.5311 2.8805 2.8805 4.1233 4.1233 9.8766 9.8766 10.4181 10.4181 11.1543 11.1543 11.5495 11.5495 k = 0.0488 0.4489 0.4575 ( 1722 PWs) bands (ev): -34.1892 -34.1892 -15.4956 -15.4956 -15.1496 -15.1496 -15.0165 -15.0165 -7.8693 -7.8693 0.9048 0.9048 2.5340 2.5340 2.8691 2.8691 4.1328 4.1328 9.8151 9.8151 10.3196 10.3196 11.1687 11.1687 11.6238 11.6238 k = 0.0549 0.4419 0.4669 ( 1722 PWs) bands (ev): -34.1890 -34.1890 -15.4955 -15.4955 -15.1503 -15.1503 -15.0170 -15.0170 -7.8714 -7.8714 0.9201 0.9201 2.5372 2.5372 2.8567 2.8567 4.1433 4.1433 9.7516 9.7516 10.2214 10.2214 11.1853 11.1853 11.7014 11.7014 k = 0.0610 0.4348 0.4762 ( 1720 PWs) bands (ev): -34.1889 -34.1889 -15.4954 -15.4954 -15.1510 -15.1510 -15.0174 -15.0174 -7.8738 -7.8738 0.9371 0.9371 2.5406 2.5406 2.8433 2.8433 4.1546 4.1546 9.6869 9.6869 10.1240 10.1240 11.2039 11.2039 11.7814 11.7814 k = 0.0671 0.4277 0.4855 ( 1720 PWs) bands (ev): -34.1887 -34.1887 -15.4954 -15.4954 -15.1518 -15.1518 -15.0179 -15.0179 -7.8764 -7.8764 0.9556 0.9556 2.5440 2.5440 2.8290 2.8290 4.1667 4.1667 9.6217 9.6217 10.0276 10.0276 11.2244 11.2244 11.8629 11.8629 k = 0.0732 0.4206 0.4949 ( 1720 PWs) bands (ev): -34.1886 -34.1886 -15.4953 -15.4953 -15.1526 -15.1526 -15.0184 -15.0184 -7.8792 -7.8792 0.9757 0.9757 2.5475 2.5475 2.8140 2.8140 4.1794 4.1794 9.5564 9.5564 9.9326 9.9326 11.2466 11.2466 11.9448 11.9448 k = 0.0793 0.4136 0.5042 ( 1718 PWs) bands (ev): -34.1884 -34.1884 -15.4953 -15.4953 -15.1535 -15.1535 -15.0189 -15.0189 -7.8822 -7.8822 0.9973 0.9973 2.5510 2.5510 2.7984 2.7984 4.1926 4.1926 9.4914 9.4914 9.8392 9.8392 11.2707 11.2707 12.0248 12.0248 k = 0.0854 0.4065 0.5136 ( 1718 PWs) bands (ev): -34.1882 -34.1882 -15.4953 -15.4953 -15.1544 -15.1544 -15.0194 -15.0194 -7.8853 -7.8853 1.0202 1.0202 2.5544 2.5544 2.7822 2.7822 4.2063 4.2063 9.4269 9.4269 9.7476 9.7476 11.2964 11.2964 12.0956 12.0956 k = 0.0915 0.3994 0.5229 ( 1716 PWs) bands (ev): -34.1880 -34.1880 -15.4953 -15.4953 -15.1554 -15.1554 -15.0199 -15.0199 -7.8885 -7.8885 1.0445 1.0445 2.5576 2.5576 2.7657 2.7657 4.2204 4.2204 9.3633 9.3633 9.6580 9.6580 11.3236 11.3236 12.1297 12.1297 k = 0.0976 0.3924 0.5322 ( 1718 PWs) bands (ev): -34.1878 -34.1878 -15.4953 -15.4953 -15.1564 -15.1564 -15.0204 -15.0204 -7.8919 -7.8919 1.0700 1.0700 2.5605 2.5605 2.7490 2.7490 4.2347 4.2347 9.3007 9.3007 9.5706 9.5706 11.3523 11.3523 12.1141 12.1141 k = 0.1037 0.3853 0.5416 ( 1718 PWs) bands (ev): -34.1876 -34.1876 -15.4954 -15.4954 -15.1574 -15.1574 -15.0209 -15.0209 -7.8953 -7.8953 1.0967 1.0967 2.5631 2.5631 2.7321 2.7321 4.2492 4.2492 9.2394 9.2394 9.4857 9.4857 11.3823 11.3823 12.0819 12.0819 k = 0.1098 0.3782 0.5509 ( 1718 PWs) bands (ev): -34.1874 -34.1874 -15.4955 -15.4955 -15.1584 -15.1584 -15.0214 -15.0214 -7.8989 -7.8989 1.1244 1.1244 2.5653 2.5653 2.7151 2.7151 4.2638 4.2638 9.1795 9.1795 9.4033 9.4033 11.4134 11.4134 12.0461 12.0461 k = 0.1159 0.3711 0.5602 ( 1718 PWs) bands (ev): -34.1872 -34.1872 -15.4956 -15.4956 -15.1594 -15.1594 -15.0219 -15.0219 -7.9025 -7.9025 1.1532 1.1532 2.5669 2.5669 2.6982 2.6982 4.2784 4.2784 9.1212 9.1212 9.3235 9.3235 11.4457 11.4457 12.0098 12.0098 k = 0.1220 0.3641 0.5696 ( 1716 PWs) bands (ev): -34.1870 -34.1870 -15.4957 -15.4957 -15.1604 -15.1604 -15.0223 -15.0223 -7.9061 -7.9061 1.1827 1.1827 2.5680 2.5680 2.6815 2.6815 4.2930 4.2930 9.0645 9.0645 9.2467 9.2467 11.4789 11.4789 11.9741 11.9741 k = 0.1280 0.3570 0.5789 ( 1716 PWs) bands (ev): -34.1868 -34.1868 -15.4959 -15.4959 -15.1615 -15.1615 -15.0227 -15.0227 -7.9097 -7.9097 1.2131 1.2131 2.5685 2.5685 2.6650 2.6650 4.3074 4.3074 9.0097 9.0097 9.1728 9.1728 11.5129 11.5129 11.9393 11.9393 k = 0.1341 0.3499 0.5883 ( 1720 PWs) bands (ev): -34.1866 -34.1866 -15.4962 -15.4962 -15.1625 -15.1625 -15.0231 -15.0231 -7.9134 -7.9134 1.2440 1.2440 2.5682 2.5682 2.6488 2.6488 4.3217 4.3217 8.9568 8.9568 9.1020 9.1020 11.5474 11.5474 11.9056 11.9056 k = 0.1402 0.3429 0.5976 ( 1720 PWs) bands (ev): -34.1864 -34.1864 -15.4964 -15.4964 -15.1635 -15.1635 -15.0235 -15.0235 -7.9169 -7.9169 1.2754 1.2754 2.5672 2.5672 2.6330 2.6330 4.3356 4.3356 8.9060 8.9060 9.0344 9.0344 11.5825 11.5825 11.8733 11.8733 k = 0.1463 0.3358 0.6069 ( 1720 PWs) bands (ev): -34.1862 -34.1862 -15.4967 -15.4967 -15.1644 -15.1644 -15.0239 -15.0239 -7.9205 -7.9205 1.3071 1.3071 2.5654 2.5654 2.6178 2.6178 4.3493 4.3493 8.8573 8.8573 8.9700 8.9700 11.6177 11.6177 11.8424 11.8424 k = 0.1524 0.3287 0.6163 ( 1718 PWs) bands (ev): -34.1860 -34.1860 -15.4970 -15.4970 -15.1653 -15.1653 -15.0242 -15.0242 -7.9240 -7.9240 1.3391 1.3391 2.5628 2.5628 2.6030 2.6030 4.3626 4.3626 8.8108 8.8108 8.9091 8.9091 11.6529 11.6529 11.8131 11.8131 k = 0.1585 0.3216 0.6256 ( 1712 PWs) bands (ev): -34.1858 -34.1858 -15.4973 -15.4973 -15.1661 -15.1661 -15.0244 -15.0244 -7.9273 -7.9273 1.3710 1.3710 2.5593 2.5593 2.5889 2.5889 4.3754 4.3754 8.7667 8.7667 8.8517 8.8517 11.6878 11.6878 11.7855 11.7855 k = 0.1646 0.3146 0.6349 ( 1714 PWs) bands (ev): -34.1856 -34.1856 -15.4977 -15.4977 -15.1669 -15.1669 -15.0247 -15.0247 -7.9306 -7.9306 1.4028 1.4028 2.5549 2.5549 2.5756 2.5756 4.3877 4.3877 8.7249 8.7249 8.7977 8.7977 11.7214 11.7214 11.7603 11.7603 k = 0.1707 0.3075 0.6443 ( 1718 PWs) bands (ev): -34.1854 -34.1854 -15.4980 -15.4980 -15.1677 -15.1677 -15.0250 -15.0250 -7.9337 -7.9337 1.4342 1.4342 2.5496 2.5496 2.5630 2.5630 4.3994 4.3994 8.6856 8.6856 8.7474 8.7474 11.7310 11.7310 11.7600 11.7600 k = 0.1768 0.3004 0.6536 ( 1718 PWs) bands (ev): -34.1853 -34.1853 -15.4984 -15.4984 -15.1685 -15.1685 -15.0252 -15.0252 -7.9367 -7.9367 1.4650 1.4650 2.5432 2.5432 2.5517 2.5517 4.4105 4.4105 8.6489 8.6489 8.7007 8.7007 11.7098 11.7098 11.7913 11.7913 k = 0.1829 0.2934 0.6630 ( 1720 PWs) bands (ev): -34.1851 -34.1851 -15.4988 -15.4988 -15.1691 -15.1691 -15.0254 -15.0254 -7.9395 -7.9395 1.4950 1.4950 2.5353 2.5353 2.5419 2.5419 4.4210 4.4210 8.6149 8.6149 8.6576 8.6576 11.6888 11.6888 11.8228 11.8228 k = 0.1890 0.2863 0.6723 ( 1724 PWs) bands (ev): -34.1850 -34.1850 -15.4992 -15.4992 -15.1698 -15.1698 -15.0256 -15.0256 -7.9422 -7.9422 1.5239 1.5239 2.5263 2.5263 2.5337 2.5337 4.4307 4.4307 8.5836 8.5836 8.6183 8.6183 11.6693 11.6693 11.8531 11.8531 k = 0.1951 0.2792 0.6816 ( 1726 PWs) bands (ev): -34.1848 -34.1848 -15.4995 -15.4995 -15.1703 -15.1703 -15.0258 -15.0258 -7.9446 -7.9446 1.5515 1.5515 2.5172 2.5172 2.5260 2.5260 4.4396 4.4396 8.5550 8.5550 8.5827 8.5827 11.6516 11.6516 11.8816 11.8816 k = 0.2012 0.2721 0.6910 ( 1724 PWs) bands (ev): -34.1847 -34.1847 -15.4998 -15.4998 -15.1708 -15.1708 -15.0259 -15.0259 -7.9468 -7.9468 1.5775 1.5775 2.5087 2.5087 2.5184 2.5184 4.4478 4.4478 8.5293 8.5293 8.5509 8.5509 11.6356 11.6356 11.9081 11.9081 k = 0.2073 0.2651 0.7003 ( 1722 PWs) bands (ev): -34.1846 -34.1846 -15.5001 -15.5001 -15.1712 -15.1712 -15.0260 -15.0260 -7.9488 -7.9488 1.6015 1.6015 2.5010 2.5010 2.5110 2.5110 4.4550 4.4550 8.5065 8.5065 8.5228 8.5228 11.6215 11.6215 11.9323 11.9323 k = 0.2134 0.2580 0.7096 ( 1720 PWs) bands (ev): -34.1845 -34.1845 -15.5004 -15.5004 -15.1716 -15.1716 -15.0261 -15.0261 -7.9506 -7.9506 1.6233 1.6233 2.4941 2.4941 2.5040 2.5040 4.4614 4.4614 8.4866 8.4866 8.4984 8.4984 11.6092 11.6092 11.9539 11.9539 k = 0.2195 0.2509 0.7190 ( 1718 PWs) bands (ev): -34.1844 -34.1844 -15.5006 -15.5006 -15.1719 -15.1719 -15.0262 -15.0262 -7.9521 -7.9521 1.6425 1.6425 2.4881 2.4881 2.4976 2.4976 4.4669 4.4669 8.4697 8.4697 8.4779 8.4779 11.5988 11.5988 11.9726 11.9726 k = 0.2256 0.2439 0.7283 ( 1716 PWs) bands (ev): -34.1843 -34.1843 -15.5008 -15.5008 -15.1722 -15.1722 -15.0262 -15.0262 -7.9533 -7.9533 1.6588 1.6588 2.4830 2.4830 2.4921 2.4921 4.4714 4.4714 8.4558 8.4558 8.4611 8.4611 11.5902 11.5902 11.9883 11.9883 k = 0.2317 0.2368 0.7377 ( 1714 PWs) bands (ev): -34.1843 -34.1843 -15.5010 -15.5010 -15.1724 -15.1724 -15.0263 -15.0263 -7.9543 -7.9543 1.6718 1.6718 2.4788 2.4788 2.4877 2.4877 4.4749 4.4749 8.4449 8.4449 8.4480 8.4480 11.5836 11.5836 12.0006 12.0006 k = 0.2378 0.2297 0.7470 ( 1708 PWs) bands (ev): -34.1842 -34.1842 -15.5011 -15.5011 -15.1725 -15.1725 -15.0263 -15.0263 -7.9550 -7.9550 1.6813 1.6813 2.4756 2.4756 2.4845 2.4845 4.4775 4.4775 8.4371 8.4371 8.4388 8.4388 11.5788 11.5788 12.0096 12.0096 k = 0.2439 0.2226 0.7563 ( 1710 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9554 -7.9554 1.6871 1.6871 2.4737 2.4737 2.4825 2.4825 4.4790 4.4790 8.4323 8.4323 8.4334 8.4334 11.5759 11.5759 12.0149 12.0149 k = 0.2500 0.2156 0.7657 ( 1708 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9555 -7.9555 1.6891 1.6891 2.4730 2.4730 2.4819 2.4819 4.4795 4.4795 8.4306 8.4306 8.4316 8.4316 11.5750 11.5750 12.0168 12.0168 k = 0.2500 0.2156 0.7657 ( 1708 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9555 -7.9555 1.6891 1.6891 2.4730 2.4730 2.4819 2.4819 4.4795 4.4795 8.4306 8.4306 8.4316 8.4316 11.5750 11.5750 12.0168 12.0168 k = 0.2576 0.2221 0.7570 ( 1709 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9555 -7.9555 1.6890 1.6890 2.4551 2.4551 2.5009 2.5009 4.4781 4.4781 8.3366 8.3366 8.5280 8.5280 11.5742 11.5742 12.0160 12.0160 k = 0.2652 0.2286 0.7484 ( 1709 PWs) bands (ev): -34.1842 -34.1842 -15.5011 -15.5011 -15.1725 -15.1725 -15.0263 -15.0263 -7.9554 -7.9554 1.6889 1.6889 2.4342 2.4342 2.5248 2.5248 4.4738 4.4738 8.2457 8.2457 8.6265 8.6265 11.5720 11.5720 12.0136 12.0136 k = 0.2727 0.2352 0.7398 ( 1716 PWs) bands (ev): -34.1842 -34.1842 -15.5011 -15.5011 -15.1725 -15.1725 -15.0263 -15.0263 -7.9553 -7.9553 1.6886 1.6886 2.4142 2.4142 2.5498 2.5498 4.4668 4.4668 8.1584 8.1584 8.7263 8.7263 11.5688 11.5688 12.0095 12.0095 k = 0.2803 0.2417 0.7312 ( 1719 PWs) bands (ev): -34.1842 -34.1842 -15.5011 -15.5011 -15.1724 -15.1724 -15.0263 -15.0263 -7.9551 -7.9551 1.6883 1.6883 2.3950 2.3950 2.5757 2.5757 4.4571 4.4571 8.0752 8.0752 8.8273 8.8273 11.5651 11.5651 12.0036 12.0036 k = 0.2879 0.2482 0.7225 ( 1719 PWs) bands (ev): -34.1843 -34.1843 -15.5010 -15.5010 -15.1723 -15.1723 -15.0263 -15.0263 -7.9548 -7.9548 1.6878 1.6878 2.3768 2.3768 2.6021 2.6021 4.4448 4.4448 7.9962 7.9962 8.9294 8.9294 11.5611 11.5611 11.9960 11.9960 k = 0.2955 0.2548 0.7139 ( 1719 PWs) bands (ev): -34.1843 -34.1843 -15.5010 -15.5010 -15.1722 -15.1722 -15.0263 -15.0263 -7.9545 -7.9545 1.6873 1.6873 2.3597 2.3597 2.6288 2.6288 4.4302 4.4302 7.9218 7.9218 9.0325 9.0325 11.5573 11.5573 11.9865 11.9865 k = 0.3030 0.2613 0.7053 ( 1719 PWs) bands (ev): -34.1843 -34.1843 -15.5009 -15.5009 -15.1720 -15.1720 -15.0263 -15.0263 -7.9540 -7.9540 1.6868 1.6868 2.3435 2.3435 2.6554 2.6554 4.4134 4.4134 7.8522 7.8522 9.1362 9.1362 11.5538 11.5538 11.9751 11.9751 k = 0.3106 0.2678 0.6967 ( 1719 PWs) bands (ev): -34.1844 -34.1844 -15.5007 -15.5007 -15.1719 -15.1719 -15.0263 -15.0263 -7.9535 -7.9535 1.6862 1.6862 2.3284 2.3284 2.6818 2.6818 4.3948 4.3948 7.7876 7.7876 9.2404 9.2404 11.5507 11.5507 11.9615 11.9615 k = 0.3182 0.2744 0.6880 ( 1717 PWs) bands (ev): -34.1844 -34.1844 -15.5006 -15.5006 -15.1717 -15.1717 -15.0263 -15.0263 -7.9528 -7.9528 1.6856 1.6856 2.3144 2.3144 2.7075 2.7075 4.3745 4.3745 7.7281 7.7281 9.3450 9.3450 11.5484 11.5484 11.9459 11.9459 k = 0.3258 0.2809 0.6794 ( 1717 PWs) bands (ev): -34.1845 -34.1845 -15.5005 -15.5005 -15.1714 -15.1714 -15.0264 -15.0264 -7.9521 -7.9521 1.6850 1.6850 2.3014 2.3014 2.7321 2.7321 4.3530 4.3530 7.6741 7.6741 9.4498 9.4498 11.5467 11.5467 11.9282 11.9282 k = 0.3333 0.2874 0.6708 ( 1721 PWs) bands (ev): -34.1845 -34.1845 -15.5003 -15.5003 -15.1712 -15.1712 -15.0265 -15.0265 -7.9512 -7.9512 1.6843 1.6843 2.2896 2.2896 2.7553 2.7553 4.3307 4.3307 7.6256 7.6256 9.5544 9.5544 11.5459 11.5459 11.9081 11.9081 k = 0.3409 0.2940 0.6622 ( 1721 PWs) bands (ev): -34.1846 -34.1846 -15.5002 -15.5002 -15.1709 -15.1709 -15.0267 -15.0267 -7.9503 -7.9503 1.6835 1.6835 2.2788 2.2788 2.7767 2.7767 4.3080 4.3080 7.5829 7.5829 9.6586 9.6586 11.5458 11.5458 11.8858 11.8858 k = 0.3485 0.3005 0.6535 ( 1722 PWs) bands (ev): -34.1847 -34.1847 -15.5000 -15.5000 -15.1706 -15.1706 -15.0269 -15.0269 -7.9492 -7.9492 1.6827 1.6827 2.2692 2.2692 2.7958 2.7958 4.2854 4.2854 7.5461 7.5461 9.7622 9.7622 11.5464 11.5464 11.8612 11.8612 k = 0.3561 0.3070 0.6449 ( 1726 PWs) bands (ev): -34.1847 -34.1847 -15.4998 -15.4998 -15.1703 -15.1703 -15.0272 -15.0272 -7.9480 -7.9480 1.6817 1.6817 2.2607 2.2607 2.8122 2.8122 4.2634 4.2634 7.5153 7.5153 9.8649 9.8649 11.5477 11.5477 11.8342 11.8342 k = 0.3636 0.3136 0.6363 ( 1719 PWs) bands (ev): -34.1848 -34.1848 -15.4996 -15.4996 -15.1699 -15.1699 -15.0274 -15.0274 -7.9467 -7.9467 1.6806 1.6806 2.2533 2.2533 2.8256 2.8256 4.2425 4.2425 7.4908 7.4908 9.9664 9.9664 11.5496 11.5496 11.8049 11.8049 k = 0.3712 0.3201 0.6277 ( 1717 PWs) bands (ev): -34.1848 -34.1848 -15.4994 -15.4994 -15.1695 -15.1695 -15.0277 -15.0277 -7.9453 -7.9453 1.6792 1.6792 2.2470 2.2470 2.8356 2.8356 4.2231 4.2231 7.4724 7.4724 10.0663 10.0663 11.5518 11.5518 11.7732 11.7732 k = 0.3788 0.3266 0.6190 ( 1717 PWs) bands (ev): -34.1849 -34.1849 -15.4991 -15.4991 -15.1691 -15.1691 -15.0281 -15.0281 -7.9438 -7.9438 1.6775 1.6775 2.2419 2.2419 2.8419 2.8419 4.2057 4.2057 7.4604 7.4604 10.1642 10.1642 11.5543 11.5543 11.7391 11.7391 k = 0.3864 0.3332 0.6104 ( 1716 PWs) bands (ev): -34.1850 -34.1850 -15.4989 -15.4989 -15.1687 -15.1687 -15.0286 -15.0286 -7.9421 -7.9421 1.6754 1.6754 2.2379 2.2379 2.8443 2.8443 4.1908 4.1908 7.4547 7.4547 10.2599 10.2599 11.5569 11.5569 11.7027 11.7027 k = 0.3939 0.3397 0.6018 ( 1714 PWs) bands (ev): -34.1850 -34.1850 -15.4986 -15.4986 -15.1682 -15.1682 -15.0291 -15.0291 -7.9404 -7.9404 1.6727 1.6727 2.2351 2.2351 2.8429 2.8429 4.1786 4.1786 7.4554 7.4554 10.3528 10.3528 11.5595 11.5595 11.6640 11.6640 k = 0.4015 0.3462 0.5932 ( 1716 PWs) bands (ev): -34.1851 -34.1851 -15.4983 -15.4983 -15.1676 -15.1676 -15.0297 -15.0297 -7.9387 -7.9387 1.6694 1.6694 2.2334 2.2334 2.8375 2.8375 4.1692 4.1692 7.4626 7.4626 10.4425 10.4425 11.5616 11.5616 11.6232 11.6232 k = 0.4091 0.3527 0.5845 ( 1714 PWs) bands (ev): -34.1852 -34.1852 -15.4980 -15.4980 -15.1671 -15.1671 -15.0303 -15.0303 -7.9368 -7.9368 1.6652 1.6652 2.2329 2.2329 2.8286 2.8286 4.1628 4.1628 7.4761 7.4761 10.5287 10.5287 11.5615 11.5615 11.5823 11.5823 k = 0.4167 0.3593 0.5759 ( 1714 PWs) bands (ev): -34.1853 -34.1853 -15.4977 -15.4977 -15.1665 -15.1665 -15.0309 -15.0309 -7.9349 -7.9349 1.6601 1.6601 2.2335 2.2335 2.8163 2.8163 4.1594 4.1594 7.4961 7.4961 10.6108 10.6108 11.5318 11.5318 11.5683 11.5683 k = 0.4242 0.3658 0.5673 ( 1714 PWs) bands (ev): -34.1854 -34.1854 -15.4973 -15.4973 -15.1659 -15.1659 -15.0316 -15.0316 -7.9329 -7.9329 1.6538 1.6538 2.2352 2.2352 2.8011 2.8011 4.1588 4.1588 7.5224 7.5224 10.6883 10.6883 11.4852 11.4852 11.5687 11.5687 k = 0.4318 0.3723 0.5587 ( 1714 PWs) bands (ev): -34.1854 -34.1854 -15.4970 -15.4970 -15.1653 -15.1653 -15.0323 -15.0323 -7.9309 -7.9309 1.6462 1.6462 2.2381 2.2381 2.7837 2.7837 4.1609 4.1609 7.5550 7.5550 10.7609 10.7609 11.4359 11.4359 11.5692 11.5692 k = 0.4394 0.3789 0.5500 ( 1714 PWs) bands (ev): -34.1855 -34.1855 -15.4966 -15.4966 -15.1646 -15.1646 -15.0331 -15.0331 -7.9289 -7.9289 1.6370 1.6370 2.2421 2.2421 2.7645 2.7645 4.1653 4.1653 7.5937 7.5937 10.8280 10.8280 11.3848 11.3848 11.5690 11.5690 k = 0.4470 0.3854 0.5414 ( 1714 PWs) bands (ev): -34.1856 -34.1856 -15.4962 -15.4962 -15.1639 -15.1639 -15.0339 -15.0339 -7.9269 -7.9269 1.6261 1.6261 2.2473 2.2473 2.7443 2.7443 4.1719 4.1719 7.6385 7.6385 10.8892 10.8892 11.3321 11.3321 11.5682 11.5682 k = 0.4545 0.3919 0.5328 ( 1712 PWs) bands (ev): -34.1857 -34.1857 -15.4958 -15.4958 -15.1632 -15.1632 -15.0347 -15.0347 -7.9249 -7.9249 1.6133 1.6133 2.2535 2.2535 2.7237 2.7237 4.1804 4.1804 7.6893 7.6893 10.9439 10.9439 11.2781 11.2781 11.5666 11.5666 k = 0.4621 0.3985 0.5242 ( 1714 PWs) bands (ev): -34.1858 -34.1858 -15.4954 -15.4954 -15.1625 -15.1625 -15.0356 -15.0356 -7.9229 -7.9229 1.5985 1.5985 2.2609 2.2609 2.7033 2.7033 4.1905 4.1905 7.7458 7.7458 10.9911 10.9911 11.2239 11.2239 11.5642 11.5642 k = 0.4697 0.4050 0.5155 ( 1711 PWs) bands (ev): -34.1859 -34.1859 -15.4949 -15.4949 -15.1617 -15.1617 -15.0364 -15.0364 -7.9210 -7.9210 1.5816 1.5816 2.2693 2.2693 2.6836 2.6836 4.2019 4.2019 7.8080 7.8080 11.0283 11.0283 11.1719 11.1719 11.5609 11.5609 k = 0.4773 0.4115 0.5069 ( 1709 PWs) bands (ev): -34.1860 -34.1860 -15.4945 -15.4945 -15.1608 -15.1608 -15.0372 -15.0372 -7.9192 -7.9192 1.5625 1.5625 2.2789 2.2789 2.6650 2.6650 4.2146 4.2146 7.8756 7.8756 11.0438 11.0438 11.1337 11.1337 11.5568 11.5568 k = 0.4848 0.4181 0.4983 ( 1707 PWs) bands (ev): -34.1861 -34.1861 -15.4940 -15.4940 -15.1600 -15.1600 -15.0380 -15.0380 -7.9174 -7.9174 1.5412 1.5412 2.2895 2.2895 2.6481 2.6481 4.2282 4.2282 7.9484 7.9484 11.0155 11.0155 11.1316 11.1316 11.5518 11.5518 k = 0.4924 0.4246 0.4896 ( 1705 PWs) bands (ev): -34.1862 -34.1862 -15.4935 -15.4935 -15.1591 -15.1591 -15.0388 -15.0388 -7.9158 -7.9158 1.5177 1.5177 2.3012 2.3012 2.6331 2.6331 4.2426 4.2426 8.0263 8.0263 10.9625 10.9625 11.1467 11.1467 11.5460 11.5460 k = 0.5000 0.4311 0.4810 ( 1700 PWs) bands (ev): -34.1863 -34.1863 -15.4929 -15.4929 -15.1582 -15.1582 -15.0395 -15.0395 -7.9143 -7.9143 1.4922 1.4922 2.3140 2.3140 2.6202 2.6202 4.2577 4.2577 8.1090 8.1090 10.9030 10.9030 11.1611 11.1611 11.5394 11.5394 k = 0.5000 0.4311 0.4810 ( 1700 PWs) bands (ev): -34.1863 -34.1863 -15.4929 -15.4929 -15.1582 -15.1582 -15.0395 -15.0395 -7.9143 -7.9143 1.4922 1.4922 2.3140 2.3140 2.6202 2.6202 4.2577 4.2577 8.1090 8.1090 10.9030 10.9030 11.1611 11.1611 11.5394 11.5394 k = 0.5000 0.4311 0.4677 ( 1700 PWs) bands (ev): -34.1865 -34.1865 -15.4921 -15.4921 -15.1568 -15.1568 -15.0407 -15.0407 -7.9123 -7.9123 1.4514 1.4514 2.3350 2.3350 2.6032 2.6032 4.2817 4.2817 8.2424 8.2424 10.8072 10.8072 11.1803 11.1803 11.5274 11.5274 k = 0.5000 0.4311 0.4543 ( 1704 PWs) bands (ev): -34.1867 -34.1867 -15.4912 -15.4912 -15.1553 -15.1553 -15.0419 -15.0419 -7.9108 -7.9108 1.4111 1.4111 2.3569 2.3569 2.5888 2.5888 4.3055 4.3055 8.3788 8.3788 10.7094 10.7094 11.2000 11.2000 11.5135 11.5135 k = 0.5000 0.4311 0.4409 ( 1708 PWs) bands (ev): -34.1869 -34.1869 -15.4903 -15.4903 -15.1537 -15.1537 -15.0431 -15.0431 -7.9097 -7.9097 1.3714 1.3714 2.3797 2.3797 2.5770 2.5770 4.3294 4.3294 8.5180 8.5180 10.6097 10.6097 11.2200 11.2200 11.4979 11.4979 k = 0.5000 0.4311 0.4276 ( 1708 PWs) bands (ev): -34.1871 -34.1871 -15.4893 -15.4893 -15.1521 -15.1521 -15.0443 -15.0443 -7.9091 -7.9091 1.3323 1.3323 2.4033 2.4033 2.5680 2.5680 4.3532 4.3532 8.6599 8.6599 10.5086 10.5086 11.2404 11.2404 11.4809 11.4809 k = 0.5000 0.4311 0.4142 ( 1700 PWs) bands (ev): -34.1873 -34.1873 -15.4883 -15.4883 -15.1503 -15.1503 -15.0455 -15.0455 -7.9090 -7.9090 1.2941 1.2941 2.4277 2.4277 2.5619 2.5619 4.3768 4.3768 8.8042 8.8042 10.4064 10.4064 11.2610 11.2610 11.4629 11.4629 k = 0.5000 0.4311 0.4009 ( 1700 PWs) bands (ev): -34.1874 -34.1874 -15.4873 -15.4873 -15.1485 -15.1485 -15.0467 -15.0467 -7.9095 -7.9095 1.2566 1.2566 2.4528 2.4528 2.5587 2.5587 4.4003 4.4003 8.9507 8.9507 10.3032 10.3032 11.2818 11.2818 11.4441 11.4441 k = 0.5000 0.4311 0.3875 ( 1696 PWs) bands (ev): -34.1876 -34.1876 -15.4862 -15.4862 -15.1467 -15.1467 -15.0478 -15.0478 -7.9105 -7.9105 1.2201 1.2201 2.4787 2.4787 2.5585 2.5585 4.4237 4.4237 9.0992 9.0992 10.1994 10.1994 11.3027 11.3027 11.4245 11.4245 k = 0.5000 0.4311 0.3741 ( 1700 PWs) bands (ev): -34.1878 -34.1878 -15.4852 -15.4852 -15.1448 -15.1448 -15.0490 -15.0490 -7.9120 -7.9120 1.1846 1.1846 2.5053 2.5053 2.5612 2.5612 4.4469 4.4469 9.2494 9.2494 10.0953 10.0953 11.3236 11.3236 11.4045 11.4045 k = 0.5000 0.4311 0.3608 ( 1696 PWs) bands (ev): -34.1880 -34.1880 -15.4841 -15.4841 -15.1429 -15.1429 -15.0501 -15.0501 -7.9141 -7.9141 1.1501 1.1501 2.5324 2.5324 2.5668 2.5668 4.4698 4.4698 9.4012 9.4012 9.9912 9.9912 11.3443 11.3443 11.3843 11.3843 k = 0.5000 0.4311 0.3474 ( 1700 PWs) bands (ev): -34.1882 -34.1882 -15.4831 -15.4831 -15.1409 -15.1409 -15.0512 -15.0512 -7.9167 -7.9167 1.1167 1.1167 2.5599 2.5599 2.5755 2.5755 4.4924 4.4924 9.5542 9.5542 9.8874 9.8874 11.3599 11.3599 11.3689 11.3689 k = 0.5000 0.4311 0.3340 ( 1704 PWs) bands (ev): -34.1884 -34.1884 -15.4820 -15.4820 -15.1390 -15.1390 -15.0523 -15.0523 -7.9198 -7.9198 1.0843 1.0843 2.5845 2.5845 2.5904 2.5904 4.5147 4.5147 9.7082 9.7082 9.7842 9.7842 11.3421 11.3421 11.3867 11.3867 k = 0.5000 0.4311 0.3207 ( 1708 PWs) bands (ev): -34.1886 -34.1886 -15.4809 -15.4809 -15.1370 -15.1370 -15.0533 -15.0533 -7.9234 -7.9234 1.0532 1.0532 2.5998 2.5998 2.6178 2.6178 4.5366 4.5366 9.6818 9.6818 9.8630 9.8630 11.3217 11.3217 11.4069 11.4069 k = 0.5000 0.4311 0.3073 ( 1712 PWs) bands (ev): -34.1888 -34.1888 -15.4798 -15.4798 -15.1350 -15.1350 -15.0543 -15.0543 -7.9274 -7.9274 1.0231 1.0231 2.6164 2.6164 2.6467 2.6467 4.5581 4.5581 9.5806 9.5806 10.0182 10.0182 11.3013 11.3013 11.4269 11.4269 k = 0.5000 0.4311 0.2940 ( 1712 PWs) bands (ev): -34.1890 -34.1890 -15.4788 -15.4788 -15.1330 -15.1330 -15.0553 -15.0553 -7.9318 -7.9318 0.9943 0.9943 2.6354 2.6354 2.6759 2.6759 4.5791 4.5791 9.4809 9.4809 10.1735 10.1735 11.2810 11.2810 11.4466 11.4466 k = 0.5000 0.4311 0.2806 ( 1708 PWs) bands (ev): -34.1892 -34.1892 -15.4776 -15.4776 -15.1309 -15.1309 -15.0562 -15.0562 -7.9365 -7.9365 0.9667 0.9667 2.6566 2.6566 2.7054 2.7054 4.5997 4.5997 9.3829 9.3829 10.3284 10.3284 11.2611 11.2611 11.4659 11.4659 k = 0.5000 0.4311 0.2672 ( 1710 PWs) bands (ev): -34.1894 -34.1894 -15.4766 -15.4766 -15.1290 -15.1290 -15.0571 -15.0571 -7.9416 -7.9416 0.9404 0.9404 2.6799 2.6799 2.7350 2.7350 4.6196 4.6196 9.2869 9.2869 10.4825 10.4825 11.2415 11.2415 11.4846 11.4846 k = 0.5000 0.4311 0.2539 ( 1706 PWs) bands (ev): -34.1896 -34.1896 -15.4755 -15.4755 -15.1270 -15.1270 -15.0579 -15.0579 -7.9470 -7.9470 0.9153 0.9153 2.7050 2.7050 2.7645 2.7645 4.6390 4.6390 9.1931 9.1931 10.6352 10.6352 11.2223 11.2223 11.5029 11.5029 k = 0.5000 0.4311 0.2405 ( 1702 PWs) bands (ev): -34.1897 -34.1897 -15.4744 -15.4744 -15.1250 -15.1250 -15.0586 -15.0586 -7.9526 -7.9526 0.8915 0.8915 2.7316 2.7316 2.7939 2.7939 4.6578 4.6578 9.1020 9.1020 10.7858 10.7858 11.2036 11.2036 11.5204 11.5204 k = 0.5000 0.4311 0.2272 ( 1704 PWs) bands (ev): -34.1899 -34.1899 -15.4734 -15.4734 -15.1230 -15.1230 -15.0594 -15.0594 -7.9583 -7.9583 0.8689 0.8689 2.7596 2.7596 2.8230 2.8230 4.6758 4.6758 9.0136 9.0136 10.9332 10.9332 11.1852 11.1852 11.5372 11.5372 k = 0.5000 0.4311 0.2138 ( 1704 PWs) bands (ev): -34.1900 -34.1900 -15.4724 -15.4724 -15.1212 -15.1212 -15.0601 -15.0601 -7.9641 -7.9641 0.8476 0.8476 2.7887 2.7887 2.8517 2.8517 4.6931 4.6931 8.9284 8.9284 11.0761 11.0761 11.1673 11.1673 11.5534 11.5534 k = 0.5000 0.4311 0.2004 ( 1704 PWs) bands (ev): -34.1902 -34.1902 -15.4715 -15.4715 -15.1193 -15.1193 -15.0607 -15.0607 -7.9700 -7.9700 0.8276 0.8276 2.8184 2.8184 2.8799 2.8799 4.7096 4.7096 8.8465 8.8465 11.1497 11.1497 11.2127 11.2127 11.5687 11.5687 k = 0.5000 0.4311 0.1871 ( 1704 PWs) bands (ev): -34.1903 -34.1903 -15.4706 -15.4706 -15.1176 -15.1176 -15.0613 -15.0613 -7.9759 -7.9759 0.8089 0.8089 2.8486 2.8486 2.9073 2.9073 4.7253 4.7253 8.7683 8.7683 11.1324 11.1324 11.3401 11.3401 11.5832 11.5832 k = 0.5000 0.4311 0.1737 ( 1702 PWs) bands (ev): -34.1905 -34.1905 -15.4697 -15.4697 -15.1159 -15.1159 -15.0619 -15.0619 -7.9816 -7.9816 0.7915 0.7915 2.8788 2.8788 2.9338 2.9338 4.7401 4.7401 8.6940 8.6940 11.1153 11.1153 11.4541 11.4541 11.5968 11.5968 k = 0.5000 0.4311 0.1603 ( 1702 PWs) bands (ev): -34.1906 -34.1906 -15.4688 -15.4688 -15.1143 -15.1143 -15.0624 -15.0624 -7.9872 -7.9872 0.7754 0.7754 2.9088 2.9088 2.9594 2.9594 4.7540 4.7540 8.6239 8.6239 11.0981 11.0981 11.5494 11.5494 11.6096 11.6096 k = 0.5000 0.4311 0.1470 ( 1698 PWs) bands (ev): -34.1907 -34.1907 -15.4681 -15.4681 -15.1128 -15.1128 -15.0629 -15.0629 -7.9927 -7.9927 0.7606 0.7606 2.9381 2.9381 2.9837 2.9837 4.7669 4.7669 8.5583 8.5583 11.0805 11.0805 11.5491 11.5491 11.6176 11.6176 k = 0.5000 0.4311 0.1336 ( 1694 PWs) bands (ev): -34.1908 -34.1908 -15.4673 -15.4673 -15.1113 -15.1113 -15.0633 -15.0633 -7.9978 -7.9978 0.7470 0.7470 2.9664 2.9664 3.0067 3.0067 4.7789 4.7789 8.4974 8.4974 11.0621 11.0621 11.4656 11.4656 11.6315 11.6315 k = 0.5000 0.4311 0.1203 ( 1702 PWs) bands (ev): -34.1909 -34.1909 -15.4667 -15.4667 -15.1101 -15.1101 -15.0637 -15.0637 -8.0027 -8.0027 0.7348 0.7348 2.9933 2.9933 3.0282 3.0282 4.7898 4.7898 8.4413 8.4413 11.0425 11.0425 11.3911 11.3911 11.6414 11.6414 k = 0.5000 0.4311 0.1069 ( 1706 PWs) bands (ev): -34.1910 -34.1910 -15.4661 -15.4661 -15.1089 -15.1089 -15.0641 -15.0641 -8.0072 -8.0072 0.7238 0.7238 3.0184 3.0184 3.0481 3.0481 4.7996 4.7996 8.3905 8.3905 11.0210 11.0210 11.3268 11.3268 11.6501 11.6501 k = 0.5000 0.4311 0.0935 ( 1706 PWs) bands (ev): -34.1911 -34.1911 -15.4656 -15.4656 -15.1078 -15.1078 -15.0643 -15.0643 -8.0112 -8.0112 0.7142 0.7142 3.0414 3.0414 3.0661 3.0661 4.8083 4.8083 8.3450 8.3450 10.9973 10.9973 11.2735 11.2735 11.6578 11.6578 k = 0.5000 0.4311 0.0802 ( 1712 PWs) bands (ev): -34.1912 -34.1912 -15.4652 -15.4652 -15.1069 -15.1069 -15.0646 -15.0646 -8.0149 -8.0149 0.7058 0.7058 3.0619 3.0619 3.0823 3.0823 4.8160 4.8160 8.3052 8.3052 10.9719 10.9719 11.2313 11.2313 11.6645 11.6645 k = 0.5000 0.4311 0.0668 ( 1712 PWs) bands (ev): -34.1913 -34.1913 -15.4648 -15.4648 -15.1061 -15.1061 -15.0649 -15.0649 -8.0180 -8.0180 0.6987 0.6987 3.0796 3.0796 3.0965 3.0965 4.8225 4.8225 8.2711 8.2711 10.9460 10.9460 11.1994 11.1994 11.6700 11.6700 k = 0.5000 0.4311 0.0534 ( 1716 PWs) bands (ev): -34.1913 -34.1913 -15.4645 -15.4645 -15.1055 -15.1055 -15.0650 -15.0650 -8.0206 -8.0206 0.6930 0.6930 3.0941 3.0941 3.1086 3.1086 4.8278 4.8278 8.2430 8.2430 10.9214 10.9214 11.1761 11.1761 11.6743 11.6743 k = 0.5000 0.4311 0.0401 ( 1716 PWs) bands (ev): -34.1914 -34.1914 -15.4642 -15.4642 -15.1050 -15.1050 -15.0652 -15.0652 -8.0227 -8.0227 0.6885 0.6885 3.1053 3.1053 3.1185 3.1185 4.8320 4.8320 8.2210 8.2210 10.9001 10.9001 11.1599 11.1599 11.6774 11.6774 k = 0.5000 0.4311 0.0267 ( 1720 PWs) bands (ev): -34.1914 -34.1914 -15.4641 -15.4641 -15.1047 -15.1047 -15.0653 -15.0653 -8.0242 -8.0242 0.6852 0.6852 3.1132 3.1132 3.1258 3.1258 4.8350 4.8350 8.2052 8.2052 10.8838 10.8838 11.1492 11.1492 11.6789 11.6789 k = 0.5000 0.4311 0.0134 ( 1720 PWs) bands (ev): -34.1914 -34.1914 -15.4640 -15.4640 -15.1044 -15.1044 -15.0653 -15.0653 -8.0251 -8.0251 0.6833 0.6833 3.1179 3.1179 3.1304 3.1304 4.8368 4.8368 8.1957 8.1957 10.8735 10.8735 11.1431 11.1431 11.6791 11.6791 k = 0.5000 0.4311 0.0000 ( 1718 PWs) bands (ev): -34.1914 -34.1914 -15.4639 -15.4639 -15.1044 -15.1044 -15.0653 -15.0653 -8.0254 -8.0254 0.6827 0.6827 3.1194 3.1194 3.1319 3.1319 4.8374 4.8374 8.1925 8.1925 10.8701 10.8701 11.1412 11.1412 11.6791 11.6791 k = 0.0000 0.0000 0.7657 ( 1736 PWs) bands (ev): -34.1842 -34.1842 -15.5021 -15.5021 -15.1723 -15.1723 -15.0245 -15.0245 -7.9729 -7.9729 2.0924 2.0924 2.1226 2.1226 3.1234 3.1234 3.8634 3.8634 6.4788 6.4788 10.9356 10.9356 11.2907 11.2907 12.0155 12.0155 k = 0.0100 0.0086 0.7657 ( 1736 PWs) bands (ev): -34.1842 -34.1842 -15.5021 -15.5021 -15.1723 -15.1723 -15.0245 -15.0245 -7.9729 -7.9729 2.0930 2.0930 2.1204 2.1204 3.1215 3.1215 3.8663 3.8663 6.4828 6.4828 10.9287 10.9287 11.2914 11.2914 12.0155 12.0155 k = 0.0200 0.0172 0.7657 ( 1738 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1723 -15.1723 -15.0245 -15.0245 -7.9727 -7.9727 2.0946 2.0946 2.1140 2.1140 3.1160 3.1160 3.8750 3.8750 6.4950 6.4950 10.9083 10.9083 11.2934 11.2934 12.0155 12.0155 k = 0.0300 0.0259 0.7657 ( 1726 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1722 -15.1722 -15.0245 -15.0245 -7.9723 -7.9723 2.0959 2.0959 2.1050 2.1050 3.1069 3.1069 3.8893 3.8893 6.5152 6.5152 10.8747 10.8747 11.2968 11.2968 12.0156 12.0156 k = 0.0400 0.0345 0.7657 ( 1730 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1723 -15.1723 -15.0246 -15.0246 -7.9719 -7.9719 2.0865 2.0865 2.1041 2.1041 3.0944 3.0944 3.9087 3.9087 6.5432 6.5432 10.8283 10.8283 11.3015 11.3015 12.0156 12.0156 k = 0.0500 0.0431 0.7657 ( 1734 PWs) bands (ev): -34.1842 -34.1842 -15.5020 -15.5020 -15.1723 -15.1723 -15.0247 -15.0247 -7.9713 -7.9713 2.0690 2.0690 2.1091 2.1091 3.0787 3.0787 3.9327 3.9327 6.5788 6.5788 10.7698 10.7698 11.3076 11.3076 12.0156 12.0156 k = 0.0600 0.0517 0.7657 ( 1722 PWs) bands (ev): -34.1842 -34.1842 -15.5019 -15.5019 -15.1722 -15.1722 -15.0247 -15.0247 -7.9705 -7.9705 2.0482 2.0482 2.1158 2.1158 3.0600 3.0600 3.9608 3.9608 6.6218 6.6218 10.7002 10.7002 11.3152 11.3152 12.0157 12.0157 k = 0.0700 0.0604 0.7657 ( 1722 PWs) bands (ev): -34.1842 -34.1842 -15.5018 -15.5018 -15.1723 -15.1723 -15.0248 -15.0248 -7.9698 -7.9698 2.0250 2.0250 2.1239 2.1239 3.0385 3.0385 3.9922 3.9922 6.6719 6.6719 10.6204 10.6204 11.3239 11.3239 12.0157 12.0157 k = 0.0800 0.0690 0.7657 ( 1722 PWs) bands (ev): -34.1842 -34.1842 -15.5018 -15.5018 -15.1723 -15.1723 -15.0249 -15.0249 -7.9689 -7.9689 2.0000 2.0000 2.1333 2.1333 3.0146 3.0146 4.0263 4.0263 6.7288 6.7288 10.5314 10.5314 11.3340 11.3340 12.0158 12.0158 k = 0.0900 0.0776 0.7657 ( 1716 PWs) bands (ev): -34.1842 -34.1842 -15.5017 -15.5017 -15.1723 -15.1723 -15.0249 -15.0249 -7.9679 -7.9679 1.9737 1.9737 2.1439 2.1439 2.9885 2.9885 4.0625 4.0625 6.7921 6.7921 10.4342 10.4342 11.3454 11.3454 12.0159 12.0159 k = 0.1000 0.0862 0.7657 ( 1716 PWs) bands (ev): -34.1842 -34.1842 -15.5017 -15.5017 -15.1723 -15.1723 -15.0251 -15.0251 -7.9669 -7.9669 1.9467 1.9467 2.1558 2.1558 2.9606 2.9606 4.1000 4.1000 6.8616 6.8616 10.3300 10.3300 11.3580 11.3580 12.0160 12.0160 k = 0.1100 0.0948 0.7657 ( 1720 PWs) bands (ev): -34.1842 -34.1842 -15.5017 -15.5017 -15.1724 -15.1724 -15.0252 -15.0252 -7.9659 -7.9659 1.9194 1.9194 2.1689 2.1689 2.9310 2.9310 4.1383 4.1383 6.9368 6.9368 10.2196 10.2196 11.3717 11.3717 12.0160 12.0160 k = 0.1200 0.1035 0.7657 ( 1722 PWs) bands (ev): -34.1842 -34.1842 -15.5016 -15.5016 -15.1724 -15.1724 -15.0253 -15.0253 -7.9648 -7.9648 1.8924 1.8924 2.1833 2.1833 2.9002 2.9002 4.1767 4.1767 7.0175 7.0175 10.1040 10.1040 11.3866 11.3866 12.0161 12.0161 k = 0.1300 0.1121 0.7657 ( 1726 PWs) bands (ev): -34.1842 -34.1842 -15.5016 -15.5016 -15.1724 -15.1724 -15.0255 -15.0255 -7.9637 -7.9637 1.8660 1.8660 2.1989 2.1989 2.8683 2.8683 4.2146 4.2146 7.1033 7.1033 9.9840 9.9840 11.4026 11.4026 12.0161 12.0161 k = 0.1400 0.1207 0.7657 ( 1726 PWs) bands (ev): -34.1842 -34.1842 -15.5016 -15.5016 -15.1725 -15.1725 -15.0256 -15.0256 -7.9626 -7.9626 1.8405 1.8405 2.2157 2.2157 2.8357 2.8357 4.2516 4.2516 7.1939 7.1939 9.8606 9.8606 11.4195 11.4195 12.0162 12.0162 k = 0.1500 0.1293 0.7657 ( 1726 PWs) bands (ev): -34.1842 -34.1842 -15.5015 -15.5015 -15.1725 -15.1725 -15.0257 -15.0257 -7.9616 -7.9616 1.8162 1.8162 2.2337 2.2337 2.8025 2.8025 4.2871 4.2871 7.2891 7.2891 9.7344 9.7344 11.4372 11.4372 12.0162 12.0162 k = 0.1600 0.1380 0.7657 ( 1730 PWs) bands (ev): -34.1842 -34.1842 -15.5015 -15.5015 -15.1725 -15.1725 -15.0259 -15.0259 -7.9605 -7.9605 1.7935 1.7935 2.2530 2.2530 2.7689 2.7689 4.3206 4.3206 7.3885 7.3885 9.6059 9.6059 11.4554 11.4554 12.0162 12.0162 k = 0.1700 0.1466 0.7657 ( 1726 PWs) bands (ev): -34.1842 -34.1842 -15.5014 -15.5014 -15.1726 -15.1726 -15.0259 -15.0259 -7.9596 -7.9596 1.7727 1.7727 2.2735 2.2735 2.7352 2.7352 4.3518 4.3518 7.4919 7.4919 9.4759 9.4759 11.4740 11.4740 12.0163 12.0163 k = 0.1800 0.1552 0.7657 ( 1728 PWs) bands (ev): -34.1842 -34.1842 -15.5014 -15.5014 -15.1726 -15.1726 -15.0261 -15.0261 -7.9587 -7.9587 1.7538 1.7538 2.2951 2.2951 2.7015 2.7015 4.3803 4.3803 7.5989 7.5989 9.3448 9.3448 11.4925 11.4925 12.0164 12.0164 k = 0.1900 0.1638 0.7657 ( 1728 PWs) bands (ev): -34.1842 -34.1842 -15.5014 -15.5014 -15.1726 -15.1726 -15.0262 -15.0262 -7.9579 -7.9579 1.7370 1.7370 2.3179 2.3179 2.6680 2.6680 4.4057 4.4057 7.7094 7.7094 9.2131 9.2131 11.5105 11.5105 12.0164 12.0164 k = 0.2000 0.1725 0.7657 ( 1728 PWs) bands (ev): -34.1842 -34.1842 -15.5013 -15.5013 -15.1726 -15.1726 -15.0262 -15.0262 -7.9572 -7.9572 1.7226 1.7226 2.3418 2.3418 2.6348 2.6348 4.4277 4.4277 7.8231 7.8231 9.0812 9.0812 11.5276 11.5276 12.0165 12.0165 k = 0.2100 0.1811 0.7657 ( 1716 PWs) bands (ev): -34.1842 -34.1842 -15.5013 -15.5013 -15.1726 -15.1726 -15.0262 -15.0262 -7.9566 -7.9566 1.7107 1.7107 2.3668 2.3668 2.6020 2.6020 4.4460 4.4460 7.9399 7.9399 8.9495 8.9495 11.5431 11.5431 12.0166 12.0166 k = 0.2200 0.1897 0.7657 ( 1710 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0262 -15.0262 -7.9561 -7.9561 1.7013 1.7013 2.3929 2.3929 2.5699 2.5699 4.4606 4.4606 8.0593 8.0593 8.8183 8.8183 11.5562 11.5562 12.0166 12.0166 k = 0.2300 0.1983 0.7657 ( 1712 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9558 -7.9558 1.6945 1.6945 2.4200 2.4200 2.5384 2.5384 4.4711 4.4711 8.1811 8.1811 8.6880 8.6880 11.5664 11.5664 12.0167 12.0167 k = 0.2400 0.2069 0.7657 ( 1708 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9556 -7.9556 1.6904 1.6904 2.4480 2.4480 2.5078 2.5078 4.4774 4.4774 8.3051 8.3051 8.5588 8.5588 11.5728 11.5728 12.0168 12.0168 k = 0.2500 0.2156 0.7657 ( 1708 PWs) bands (ev): -34.1842 -34.1842 -15.5012 -15.5012 -15.1726 -15.1726 -15.0263 -15.0263 -7.9555 -7.9555 1.6891 1.6891 2.4730 2.4730 2.4819 2.4819 4.4795 4.4795 8.4306 8.4306 8.4316 8.4316 11.5750 11.5750 12.0168 12.0168 Writing output data file CaC2.save init_run : 2.52s CPU 12.79s WALL ( 1 calls) electrons : 272.72s CPU 277.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.38s WALL ( 1 calls) Called by electrons: c_bands : 272.64s CPU 276.67s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.65s WALL ( 1 calls) v_h : 0.03s CPU 0.04s WALL ( 1 calls) v_xc : 0.06s CPU 0.38s WALL ( 1 calls) newd : 0.25s CPU 0.39s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 413 calls) cegterg : 259.76s CPU 261.45s WALL ( 1325 calls) Called by sum_band: Called by *egterg: h_psi : 121.69s CPU 131.15s WALL ( 24210 calls) s_psi : 6.74s CPU 8.30s WALL ( 24210 calls) g_psi : 0.12s CPU 0.28s WALL ( 22472 calls) cdiaghg : 91.06s CPU 86.00s WALL ( 22885 calls) cegterg:over : 19.90s CPU 16.12s WALL ( 22472 calls) cegterg:upda : 0.76s CPU 3.11s WALL ( 22472 calls) cegterg:last : 0.93s CPU 1.99s WALL ( 3340 calls) Called by h_psi: h_psi:vloc : 103.24s CPU 113.54s WALL ( 24210 calls) h_psi:vnl : 18.37s CPU 17.36s WALL ( 24210 calls) add_vuspsi : 2.77s CPU 6.07s WALL ( 24210 calls) General routines calbec : 15.56s CPU 11.18s WALL ( 24210 calls) fft : 0.19s CPU 1.02s WALL ( 19 calls) ffts : 0.03s CPU 0.05s WALL ( 4 calls) fftw : 99.16s CPU 108.27s WALL ( 1048868 calls) interpolate : 0.13s CPU 0.19s WALL ( 4 calls) davcio : 0.01s CPU 0.55s WALL ( 826 calls) Parallel routines fft_scatter : 67.72s CPU 75.05s WALL ( 1048891 calls) PWSCF : 5m 3.17s CPU 6m29.49s WALL This run was terminated on: 6:43:29 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=