Program PWSCF v.5.1.1 starts on 28Jun2015 at 17: 3:30 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: ./BN.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 10 5 1 320 122 18 Max 11 6 3 331 138 26 Sum 511 283 91 15639 6219 1129 Message from routine sym_rho_init: likely internal error: no G-vectors found Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 4.7923 a.u. unit-cell volume = 157.8234 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.792345 celldm(2)= 1.000000 celldm(3)= 1.655757 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.655757 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.603953 ) PseudoPot. # 1 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 6 Sym. Ops. (no inversion) found (note: 6 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 120 deg rotation - cryst. axis [0,0,1] cryst. s( 2) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 3) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 5) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 6 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_3v (3m) there are 6 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3s_v -3s_v G_4 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6 1.00 -1.00 -1.00 1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3s_v -3s_v G_4 0.00 0.00 0.00 0.00 0.00 0.00 G_5 0.00 0.00 0.00 0.00 1.00 -1.00 G_6 0.00 0.00 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 2C3 2 3 3s_v 4 5 -6 3s_v 6 -4 -5 -E -1 -2C3 -2 -3 Cartesian axes number of k points= 517 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 2) = ( 0.0069444 0.0040094 -0.0000000), wk = 0.0019342 k( 3) = ( 0.0138889 0.0080188 -0.0000000), wk = 0.0019342 k( 4) = ( 0.0208333 0.0120281 -0.0000000), wk = 0.0019342 k( 5) = ( 0.0277778 0.0160375 -0.0000000), wk = 0.0019342 k( 6) = ( 0.0347222 0.0200469 -0.0000000), wk = 0.0019342 k( 7) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0019342 k( 8) = ( 0.0486111 0.0280656 -0.0000000), wk = 0.0019342 k( 9) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0019342 k( 10) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0019342 k( 11) = ( 0.0694444 0.0400938 -0.0000000), wk = 0.0019342 k( 12) = ( 0.0763889 0.0441031 -0.0000000), wk = 0.0019342 k( 13) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0019342 k( 14) = ( 0.0902778 0.0521219 -0.0000000), wk = 0.0019342 k( 15) = ( 0.0972222 0.0561313 -0.0000000), wk = 0.0019342 k( 16) = ( 0.1041667 0.0601407 -0.0000000), wk = 0.0019342 k( 17) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0019342 k( 18) = ( 0.1180556 0.0681594 -0.0000000), wk = 0.0019342 k( 19) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0019342 k( 20) = ( 0.1319444 0.0761782 -0.0000000), wk = 0.0019342 k( 21) = ( 0.1388889 0.0801875 -0.0000000), wk = 0.0019342 k( 22) = ( 0.1458333 0.0841969 -0.0000000), wk = 0.0019342 k( 23) = ( 0.1527778 0.0882063 -0.0000000), wk = 0.0019342 k( 24) = ( 0.1597222 0.0922157 -0.0000000), wk = 0.0019342 k( 25) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0019342 k( 26) = ( 0.1736111 0.1002344 -0.0000000), wk = 0.0019342 k( 27) = ( 0.1805556 0.1042438 -0.0000000), wk = 0.0019342 k( 28) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0019342 k( 29) = ( 0.1944444 0.1122625 -0.0000000), wk = 0.0019342 k( 30) = ( 0.2013889 0.1162719 -0.0000000), wk = 0.0019342 k( 31) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0019342 k( 32) = ( 0.2152778 0.1242907 -0.0000000), wk = 0.0019342 k( 33) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0019342 k( 34) = ( 0.2291667 0.1323094 -0.0000000), wk = 0.0019342 k( 35) = ( 0.2361111 0.1363188 -0.0000000), wk = 0.0019342 k( 36) = ( 0.2430556 0.1403282 -0.0000000), wk = 0.0019342 k( 37) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0019342 k( 38) = ( 0.2569444 0.1483469 -0.0000000), wk = 0.0019342 k( 39) = ( 0.2638889 0.1523563 -0.0000000), wk = 0.0019342 k( 40) = ( 0.2708333 0.1563657 -0.0000000), wk = 0.0019342 k( 41) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0019342 k( 42) = ( 0.2847222 0.1643845 -0.0000000), wk = 0.0019342 k( 43) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0019342 k( 44) = ( 0.2986111 0.1724032 -0.0000000), wk = 0.0019342 k( 45) = ( 0.3055556 0.1764126 -0.0000000), wk = 0.0019342 k( 46) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0019342 k( 47) = ( 0.3194444 0.1844313 -0.0000000), wk = 0.0019342 k( 48) = ( 0.3263889 0.1884407 -0.0000000), wk = 0.0019342 k( 49) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0019342 k( 50) = ( 0.3402778 0.1964595 -0.0000000), wk = 0.0019342 k( 51) = ( 0.3472222 0.2004688 -0.0000000), wk = 0.0019342 k( 52) = ( 0.3541667 0.2044782 -0.0000000), wk = 0.0019342 k( 53) = ( 0.3611111 0.2084876 -0.0000000), wk = 0.0019342 k( 54) = ( 0.3680556 0.2124970 -0.0000000), wk = 0.0019342 k( 55) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0019342 k( 56) = ( 0.3819444 0.2205157 -0.0000000), wk = 0.0019342 k( 57) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0019342 k( 58) = ( 0.3958333 0.2285345 -0.0000000), wk = 0.0019342 k( 59) = ( 0.4027778 0.2325439 -0.0000000), wk = 0.0019342 k( 60) = ( 0.4097222 0.2365532 -0.0000000), wk = 0.0019342 k( 61) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0019342 k( 62) = ( 0.4236111 0.2445720 -0.0000000), wk = 0.0019342 k( 63) = ( 0.4305556 0.2485814 -0.0000000), wk = 0.0019342 k( 64) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0019342 k( 65) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0019342 k( 66) = ( 0.4513889 0.2606095 -0.0000000), wk = 0.0019342 k( 67) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0019342 k( 68) = ( 0.4652778 0.2686283 -0.0000000), wk = 0.0019342 k( 69) = ( 0.4722222 0.2726376 -0.0000000), wk = 0.0019342 k( 70) = ( 0.4791667 0.2766470 -0.0000000), wk = 0.0019342 k( 71) = ( 0.4861111 0.2806564 -0.0000000), wk = 0.0019342 k( 72) = ( 0.4930556 0.2846658 -0.0000000), wk = 0.0019342 k( 73) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019342 k( 74) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019342 k( 75) = ( 0.4960317 0.2955484 -0.0000000), wk = 0.0019342 k( 76) = ( 0.4920635 0.3024216 -0.0000000), wk = 0.0019342 k( 77) = ( 0.4880952 0.3092948 -0.0000000), wk = 0.0019342 k( 78) = ( 0.4841270 0.3161680 -0.0000000), wk = 0.0019342 k( 79) = ( 0.4801587 0.3230412 -0.0000000), wk = 0.0019342 k( 80) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0019342 k( 81) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0019342 k( 82) = ( 0.4682540 0.3436609 -0.0000000), wk = 0.0019342 k( 83) = ( 0.4642857 0.3505341 -0.0000000), wk = 0.0019342 k( 84) = ( 0.4603175 0.3574073 -0.0000000), wk = 0.0019342 k( 85) = ( 0.4563492 0.3642805 -0.0000000), wk = 0.0019342 k( 86) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0019342 k( 87) = ( 0.4484127 0.3780270 -0.0000000), wk = 0.0019342 k( 88) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0019342 k( 89) = ( 0.4404762 0.3917734 -0.0000000), wk = 0.0019342 k( 90) = ( 0.4365079 0.3986466 -0.0000000), wk = 0.0019342 k( 91) = ( 0.4325397 0.4055198 -0.0000000), wk = 0.0019342 k( 92) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0019342 k( 93) = ( 0.4246032 0.4192663 -0.0000000), wk = 0.0019342 k( 94) = ( 0.4206349 0.4261395 -0.0000000), wk = 0.0019342 k( 95) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0019342 k( 96) = ( 0.4126984 0.4398859 -0.0000000), wk = 0.0019342 k( 97) = ( 0.4087302 0.4467591 -0.0000000), wk = 0.0019342 k( 98) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0019342 k( 99) = ( 0.4007937 0.4605056 -0.0000000), wk = 0.0019342 k( 100) = ( 0.3968254 0.4673788 -0.0000000), wk = 0.0019342 k( 101) = ( 0.3928571 0.4742520 -0.0000000), wk = 0.0019342 k( 102) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0019342 k( 103) = ( 0.3849206 0.4879984 -0.0000000), wk = 0.0019342 k( 104) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0019342 k( 105) = ( 0.3769841 0.5017449 -0.0000000), wk = 0.0019342 k( 106) = ( 0.3730159 0.5086181 -0.0000000), wk = 0.0019342 k( 107) = ( 0.3690476 0.5154913 -0.0000000), wk = 0.0019342 k( 108) = ( 0.3650794 0.5223645 -0.0000000), wk = 0.0019342 k( 109) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0019342 k( 110) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0019342 k( 111) = ( 0.3531746 0.5429842 -0.0000000), wk = 0.0019342 k( 112) = ( 0.3492063 0.5498574 -0.0000000), wk = 0.0019342 k( 113) = ( 0.3452381 0.5567306 -0.0000000), wk = 0.0019342 k( 114) = ( 0.3412698 0.5636038 -0.0000000), wk = 0.0019342 k( 115) = ( 0.3373016 0.5704771 -0.0000000), wk = 0.0019342 k( 116) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019342 k( 117) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019342 k( 118) = ( 0.3293173 0.5703942 -0.0000000), wk = 0.0019342 k( 119) = ( 0.3253012 0.5634382 -0.0000000), wk = 0.0019342 k( 120) = ( 0.3212851 0.5564822 -0.0000000), wk = 0.0019342 k( 121) = ( 0.3172691 0.5495262 -0.0000000), wk = 0.0019342 k( 122) = ( 0.3132530 0.5425701 -0.0000000), wk = 0.0019342 k( 123) = ( 0.3092370 0.5356141 -0.0000000), wk = 0.0019342 k( 124) = ( 0.3052209 0.5286581 -0.0000000), wk = 0.0019342 k( 125) = ( 0.3012048 0.5217021 -0.0000000), wk = 0.0019342 k( 126) = ( 0.2971888 0.5147460 -0.0000000), wk = 0.0019342 k( 127) = ( 0.2931727 0.5077900 -0.0000000), wk = 0.0019342 k( 128) = ( 0.2891566 0.5008340 -0.0000000), wk = 0.0019342 k( 129) = ( 0.2851406 0.4938779 -0.0000000), wk = 0.0019342 k( 130) = ( 0.2811245 0.4869219 -0.0000000), wk = 0.0019342 k( 131) = ( 0.2771084 0.4799659 -0.0000000), wk = 0.0019342 k( 132) = ( 0.2730924 0.4730099 -0.0000000), wk = 0.0019342 k( 133) = ( 0.2690763 0.4660538 -0.0000000), wk = 0.0019342 k( 134) = ( 0.2650602 0.4590978 -0.0000000), wk = 0.0019342 k( 135) = ( 0.2610442 0.4521418 -0.0000000), wk = 0.0019342 k( 136) = ( 0.2570281 0.4451857 -0.0000000), wk = 0.0019342 k( 137) = ( 0.2530120 0.4382297 -0.0000000), wk = 0.0019342 k( 138) = ( 0.2489960 0.4312737 -0.0000000), wk = 0.0019342 k( 139) = ( 0.2449799 0.4243177 -0.0000000), wk = 0.0019342 k( 140) = ( 0.2409639 0.4173616 -0.0000000), wk = 0.0019342 k( 141) = ( 0.2369478 0.4104056 -0.0000000), wk = 0.0019342 k( 142) = ( 0.2329317 0.4034496 -0.0000000), wk = 0.0019342 k( 143) = ( 0.2289157 0.3964936 -0.0000000), wk = 0.0019342 k( 144) = ( 0.2248996 0.3895375 -0.0000000), wk = 0.0019342 k( 145) = ( 0.2208835 0.3825815 -0.0000000), wk = 0.0019342 k( 146) = ( 0.2168675 0.3756255 -0.0000000), wk = 0.0019342 k( 147) = ( 0.2128514 0.3686695 -0.0000000), wk = 0.0019342 k( 148) = ( 0.2088353 0.3617134 -0.0000000), wk = 0.0019342 k( 149) = ( 0.2048193 0.3547574 -0.0000000), wk = 0.0019342 k( 150) = ( 0.2008032 0.3478014 -0.0000000), wk = 0.0019342 k( 151) = ( 0.1967871 0.3408453 -0.0000000), wk = 0.0019342 k( 152) = ( 0.1927711 0.3338893 -0.0000000), wk = 0.0019342 k( 153) = ( 0.1887550 0.3269333 -0.0000000), wk = 0.0019342 k( 154) = ( 0.1847390 0.3199773 -0.0000000), wk = 0.0019342 k( 155) = ( 0.1807229 0.3130212 -0.0000000), wk = 0.0019342 k( 156) = ( 0.1767068 0.3060652 -0.0000000), wk = 0.0019342 k( 157) = ( 0.1726908 0.2991092 -0.0000000), wk = 0.0019342 k( 158) = ( 0.1686747 0.2921532 -0.0000000), wk = 0.0019342 k( 159) = ( 0.1646586 0.2851971 -0.0000000), wk = 0.0019342 k( 160) = ( 0.1606426 0.2782411 -0.0000000), wk = 0.0019342 k( 161) = ( 0.1566265 0.2712851 -0.0000000), wk = 0.0019342 k( 162) = ( 0.1526104 0.2643290 -0.0000000), wk = 0.0019342 k( 163) = ( 0.1485944 0.2573730 -0.0000000), wk = 0.0019342 k( 164) = ( 0.1445783 0.2504170 -0.0000000), wk = 0.0019342 k( 165) = ( 0.1405622 0.2434610 -0.0000000), wk = 0.0019342 k( 166) = ( 0.1365462 0.2365049 -0.0000000), wk = 0.0019342 k( 167) = ( 0.1325301 0.2295489 -0.0000000), wk = 0.0019342 k( 168) = ( 0.1285141 0.2225929 -0.0000000), wk = 0.0019342 k( 169) = ( 0.1244980 0.2156368 -0.0000000), wk = 0.0019342 k( 170) = ( 0.1204819 0.2086808 -0.0000000), wk = 0.0019342 k( 171) = ( 0.1164659 0.2017248 -0.0000000), wk = 0.0019342 k( 172) = ( 0.1124498 0.1947688 -0.0000000), wk = 0.0019342 k( 173) = ( 0.1084337 0.1878127 -0.0000000), wk = 0.0019342 k( 174) = ( 0.1044177 0.1808567 -0.0000000), wk = 0.0019342 k( 175) = ( 0.1004016 0.1739007 -0.0000000), wk = 0.0019342 k( 176) = ( 0.0963855 0.1669447 -0.0000000), wk = 0.0019342 k( 177) = ( 0.0923695 0.1599886 -0.0000000), wk = 0.0019342 k( 178) = ( 0.0883534 0.1530326 -0.0000000), wk = 0.0019342 k( 179) = ( 0.0843374 0.1460766 -0.0000000), wk = 0.0019342 k( 180) = ( 0.0803213 0.1391206 -0.0000000), wk = 0.0019342 k( 181) = ( 0.0763052 0.1321645 -0.0000000), wk = 0.0019342 k( 182) = ( 0.0722892 0.1252085 -0.0000000), wk = 0.0019342 k( 183) = ( 0.0682731 0.1182525 -0.0000000), wk = 0.0019342 k( 184) = ( 0.0642570 0.1112964 -0.0000000), wk = 0.0019342 k( 185) = ( 0.0602410 0.1043404 -0.0000000), wk = 0.0019342 k( 186) = ( 0.0562249 0.0973844 -0.0000000), wk = 0.0019342 k( 187) = ( 0.0522088 0.0904284 -0.0000000), wk = 0.0019342 k( 188) = ( 0.0481928 0.0834723 -0.0000000), wk = 0.0019342 k( 189) = ( 0.0441767 0.0765163 -0.0000000), wk = 0.0019342 k( 190) = ( 0.0401606 0.0695603 -0.0000000), wk = 0.0019342 k( 191) = ( 0.0361446 0.0626042 -0.0000000), wk = 0.0019342 k( 192) = ( 0.0321285 0.0556482 -0.0000000), wk = 0.0019342 k( 193) = ( 0.0281125 0.0486922 -0.0000000), wk = 0.0019342 k( 194) = ( 0.0240964 0.0417362 -0.0000000), wk = 0.0019342 k( 195) = ( 0.0200803 0.0347801 -0.0000000), wk = 0.0019342 k( 196) = ( 0.0160643 0.0278241 -0.0000000), wk = 0.0019342 k( 197) = ( 0.0120482 0.0208681 -0.0000000), wk = 0.0019342 k( 198) = ( 0.0080321 0.0139121 -0.0000000), wk = 0.0019342 k( 199) = ( 0.0040161 0.0069560 -0.0000000), wk = 0.0019342 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 202) = ( 0.0000000 0.0000000 0.0079468), wk = 0.0019342 k( 203) = ( 0.0000000 0.0000000 0.0158935), wk = 0.0019342 k( 204) = ( 0.0000000 0.0000000 0.0238403), wk = 0.0019342 k( 205) = ( 0.0000000 0.0000000 0.0317870), wk = 0.0019342 k( 206) = ( 0.0000000 0.0000000 0.0397338), wk = 0.0019342 k( 207) = ( 0.0000000 0.0000000 0.0476805), wk = 0.0019342 k( 208) = ( 0.0000000 0.0000000 0.0556273), wk = 0.0019342 k( 209) = ( 0.0000000 0.0000000 0.0635740), wk = 0.0019342 k( 210) = ( 0.0000000 0.0000000 0.0715208), wk = 0.0019342 k( 211) = ( 0.0000000 0.0000000 0.0794675), wk = 0.0019342 k( 212) = ( 0.0000000 0.0000000 0.0874143), wk = 0.0019342 k( 213) = ( 0.0000000 0.0000000 0.0953611), wk = 0.0019342 k( 214) = ( 0.0000000 0.0000000 0.1033078), wk = 0.0019342 k( 215) = ( 0.0000000 0.0000000 0.1112546), wk = 0.0019342 k( 216) = ( 0.0000000 0.0000000 0.1192013), wk = 0.0019342 k( 217) = ( 0.0000000 0.0000000 0.1271481), wk = 0.0019342 k( 218) = ( 0.0000000 0.0000000 0.1350948), wk = 0.0019342 k( 219) = ( 0.0000000 0.0000000 0.1430416), wk = 0.0019342 k( 220) = ( 0.0000000 0.0000000 0.1509883), wk = 0.0019342 k( 221) = ( 0.0000000 0.0000000 0.1589351), wk = 0.0019342 k( 222) = ( 0.0000000 0.0000000 0.1668818), wk = 0.0019342 k( 223) = ( 0.0000000 0.0000000 0.1748286), wk = 0.0019342 k( 224) = ( 0.0000000 0.0000000 0.1827753), wk = 0.0019342 k( 225) = ( 0.0000000 0.0000000 0.1907221), wk = 0.0019342 k( 226) = ( 0.0000000 0.0000000 0.1986689), wk = 0.0019342 k( 227) = ( 0.0000000 0.0000000 0.2066156), wk = 0.0019342 k( 228) = ( 0.0000000 0.0000000 0.2145624), wk = 0.0019342 k( 229) = ( 0.0000000 0.0000000 0.2225091), wk = 0.0019342 k( 230) = ( 0.0000000 0.0000000 0.2304559), wk = 0.0019342 k( 231) = ( 0.0000000 0.0000000 0.2384026), wk = 0.0019342 k( 232) = ( 0.0000000 0.0000000 0.2463494), wk = 0.0019342 k( 233) = ( 0.0000000 0.0000000 0.2542961), wk = 0.0019342 k( 234) = ( 0.0000000 0.0000000 0.2622429), wk = 0.0019342 k( 235) = ( 0.0000000 0.0000000 0.2701896), wk = 0.0019342 k( 236) = ( 0.0000000 0.0000000 0.2781364), wk = 0.0019342 k( 237) = ( 0.0000000 0.0000000 0.2860832), wk = 0.0019342 k( 238) = ( 0.0000000 0.0000000 0.2940299), wk = 0.0019342 k( 239) = ( 0.0000000 0.0000000 0.3019767), wk = 0.0019342 k( 240) = ( 0.0000000 0.0000000 0.3019767), wk = 0.0019342 k( 241) = ( 0.0069444 0.0040094 0.3019767), wk = 0.0019342 k( 242) = ( 0.0138889 0.0080188 0.3019767), wk = 0.0019342 k( 243) = ( 0.0208333 0.0120281 0.3019767), wk = 0.0019342 k( 244) = ( 0.0277778 0.0160375 0.3019767), wk = 0.0019342 k( 245) = ( 0.0347222 0.0200469 0.3019767), wk = 0.0019342 k( 246) = ( 0.0416667 0.0240563 0.3019767), wk = 0.0019342 k( 247) = ( 0.0486111 0.0280656 0.3019767), wk = 0.0019342 k( 248) = ( 0.0555556 0.0320750 0.3019767), wk = 0.0019342 k( 249) = ( 0.0625000 0.0360844 0.3019767), wk = 0.0019342 k( 250) = ( 0.0694444 0.0400938 0.3019767), wk = 0.0019342 k( 251) = ( 0.0763889 0.0441031 0.3019767), wk = 0.0019342 k( 252) = ( 0.0833333 0.0481125 0.3019767), wk = 0.0019342 k( 253) = ( 0.0902778 0.0521219 0.3019767), wk = 0.0019342 k( 254) = ( 0.0972222 0.0561313 0.3019767), wk = 0.0019342 k( 255) = ( 0.1041667 0.0601407 0.3019767), wk = 0.0019342 k( 256) = ( 0.1111111 0.0641500 0.3019767), wk = 0.0019342 k( 257) = ( 0.1180556 0.0681594 0.3019767), wk = 0.0019342 k( 258) = ( 0.1250000 0.0721688 0.3019767), wk = 0.0019342 k( 259) = ( 0.1319444 0.0761782 0.3019767), wk = 0.0019342 k( 260) = ( 0.1388889 0.0801875 0.3019767), wk = 0.0019342 k( 261) = ( 0.1458333 0.0841969 0.3019767), wk = 0.0019342 k( 262) = ( 0.1527778 0.0882063 0.3019767), wk = 0.0019342 k( 263) = ( 0.1597222 0.0922157 0.3019767), wk = 0.0019342 k( 264) = ( 0.1666667 0.0962250 0.3019767), wk = 0.0019342 k( 265) = ( 0.1736111 0.1002344 0.3019767), wk = 0.0019342 k( 266) = ( 0.1805556 0.1042438 0.3019767), wk = 0.0019342 k( 267) = ( 0.1875000 0.1082532 0.3019767), wk = 0.0019342 k( 268) = ( 0.1944444 0.1122625 0.3019767), wk = 0.0019342 k( 269) = ( 0.2013889 0.1162719 0.3019767), wk = 0.0019342 k( 270) = ( 0.2083333 0.1202813 0.3019767), wk = 0.0019342 k( 271) = ( 0.2152778 0.1242907 0.3019767), wk = 0.0019342 k( 272) = ( 0.2222222 0.1283001 0.3019767), wk = 0.0019342 k( 273) = ( 0.2291667 0.1323094 0.3019767), wk = 0.0019342 k( 274) = ( 0.2361111 0.1363188 0.3019767), wk = 0.0019342 k( 275) = ( 0.2430556 0.1403282 0.3019767), wk = 0.0019342 k( 276) = ( 0.2500000 0.1443376 0.3019767), wk = 0.0019342 k( 277) = ( 0.2569444 0.1483469 0.3019767), wk = 0.0019342 k( 278) = ( 0.2638889 0.1523563 0.3019767), wk = 0.0019342 k( 279) = ( 0.2708333 0.1563657 0.3019767), wk = 0.0019342 k( 280) = ( 0.2777778 0.1603751 0.3019767), wk = 0.0019342 k( 281) = ( 0.2847222 0.1643845 0.3019767), wk = 0.0019342 k( 282) = ( 0.2916667 0.1683938 0.3019767), wk = 0.0019342 k( 283) = ( 0.2986111 0.1724032 0.3019767), wk = 0.0019342 k( 284) = ( 0.3055556 0.1764126 0.3019767), wk = 0.0019342 k( 285) = ( 0.3125000 0.1804220 0.3019767), wk = 0.0019342 k( 286) = ( 0.3194444 0.1844313 0.3019767), wk = 0.0019342 k( 287) = ( 0.3263889 0.1884407 0.3019767), wk = 0.0019342 k( 288) = ( 0.3333333 0.1924501 0.3019767), wk = 0.0019342 k( 289) = ( 0.3402778 0.1964595 0.3019767), wk = 0.0019342 k( 290) = ( 0.3472222 0.2004688 0.3019767), wk = 0.0019342 k( 291) = ( 0.3541667 0.2044782 0.3019767), wk = 0.0019342 k( 292) = ( 0.3611111 0.2084876 0.3019767), wk = 0.0019342 k( 293) = ( 0.3680556 0.2124970 0.3019767), wk = 0.0019342 k( 294) = ( 0.3750000 0.2165064 0.3019767), wk = 0.0019342 k( 295) = ( 0.3819444 0.2205157 0.3019767), wk = 0.0019342 k( 296) = ( 0.3888889 0.2245251 0.3019767), wk = 0.0019342 k( 297) = ( 0.3958333 0.2285345 0.3019767), wk = 0.0019342 k( 298) = ( 0.4027778 0.2325439 0.3019767), wk = 0.0019342 k( 299) = ( 0.4097222 0.2365532 0.3019767), wk = 0.0019342 k( 300) = ( 0.4166667 0.2405626 0.3019767), wk = 0.0019342 k( 301) = ( 0.4236111 0.2445720 0.3019767), wk = 0.0019342 k( 302) = ( 0.4305556 0.2485814 0.3019767), wk = 0.0019342 k( 303) = ( 0.4375000 0.2525907 0.3019767), wk = 0.0019342 k( 304) = ( 0.4444444 0.2566001 0.3019767), wk = 0.0019342 k( 305) = ( 0.4513889 0.2606095 0.3019767), wk = 0.0019342 k( 306) = ( 0.4583333 0.2646189 0.3019767), wk = 0.0019342 k( 307) = ( 0.4652778 0.2686283 0.3019767), wk = 0.0019342 k( 308) = ( 0.4722222 0.2726376 0.3019767), wk = 0.0019342 k( 309) = ( 0.4791667 0.2766470 0.3019767), wk = 0.0019342 k( 310) = ( 0.4861111 0.2806564 0.3019767), wk = 0.0019342 k( 311) = ( 0.4930556 0.2846658 0.3019767), wk = 0.0019342 k( 312) = ( 0.5000000 0.2886751 0.3019767), wk = 0.0019342 k( 313) = ( 0.5000000 0.2886751 0.3019767), wk = 0.0019342 k( 314) = ( 0.4960317 0.2955484 0.3019767), wk = 0.0019342 k( 315) = ( 0.4920635 0.3024216 0.3019767), wk = 0.0019342 k( 316) = ( 0.4880952 0.3092948 0.3019767), wk = 0.0019342 k( 317) = ( 0.4841270 0.3161680 0.3019767), wk = 0.0019342 k( 318) = ( 0.4801587 0.3230412 0.3019767), wk = 0.0019342 k( 319) = ( 0.4761905 0.3299144 0.3019767), wk = 0.0019342 k( 320) = ( 0.4722222 0.3367877 0.3019767), wk = 0.0019342 k( 321) = ( 0.4682540 0.3436609 0.3019767), wk = 0.0019342 k( 322) = ( 0.4642857 0.3505341 0.3019767), wk = 0.0019342 k( 323) = ( 0.4603175 0.3574073 0.3019767), wk = 0.0019342 k( 324) = ( 0.4563492 0.3642805 0.3019767), wk = 0.0019342 k( 325) = ( 0.4523810 0.3711537 0.3019767), wk = 0.0019342 k( 326) = ( 0.4484127 0.3780270 0.3019767), wk = 0.0019342 k( 327) = ( 0.4444444 0.3849002 0.3019767), wk = 0.0019342 k( 328) = ( 0.4404762 0.3917734 0.3019767), wk = 0.0019342 k( 329) = ( 0.4365079 0.3986466 0.3019767), wk = 0.0019342 k( 330) = ( 0.4325397 0.4055198 0.3019767), wk = 0.0019342 k( 331) = ( 0.4285714 0.4123930 0.3019767), wk = 0.0019342 k( 332) = ( 0.4246032 0.4192663 0.3019767), wk = 0.0019342 k( 333) = ( 0.4206349 0.4261395 0.3019767), wk = 0.0019342 k( 334) = ( 0.4166667 0.4330127 0.3019767), wk = 0.0019342 k( 335) = ( 0.4126984 0.4398859 0.3019767), wk = 0.0019342 k( 336) = ( 0.4087302 0.4467591 0.3019767), wk = 0.0019342 k( 337) = ( 0.4047619 0.4536324 0.3019767), wk = 0.0019342 k( 338) = ( 0.4007937 0.4605056 0.3019767), wk = 0.0019342 k( 339) = ( 0.3968254 0.4673788 0.3019767), wk = 0.0019342 k( 340) = ( 0.3928571 0.4742520 0.3019767), wk = 0.0019342 k( 341) = ( 0.3888889 0.4811252 0.3019767), wk = 0.0019342 k( 342) = ( 0.3849206 0.4879984 0.3019767), wk = 0.0019342 k( 343) = ( 0.3809524 0.4948717 0.3019767), wk = 0.0019342 k( 344) = ( 0.3769841 0.5017449 0.3019767), wk = 0.0019342 k( 345) = ( 0.3730159 0.5086181 0.3019767), wk = 0.0019342 k( 346) = ( 0.3690476 0.5154913 0.3019767), wk = 0.0019342 k( 347) = ( 0.3650794 0.5223645 0.3019767), wk = 0.0019342 k( 348) = ( 0.3611111 0.5292377 0.3019767), wk = 0.0019342 k( 349) = ( 0.3571429 0.5361110 0.3019767), wk = 0.0019342 k( 350) = ( 0.3531746 0.5429842 0.3019767), wk = 0.0019342 k( 351) = ( 0.3492063 0.5498574 0.3019767), wk = 0.0019342 k( 352) = ( 0.3452381 0.5567306 0.3019767), wk = 0.0019342 k( 353) = ( 0.3412698 0.5636038 0.3019767), wk = 0.0019342 k( 354) = ( 0.3373016 0.5704771 0.3019767), wk = 0.0019342 k( 355) = ( 0.3333333 0.5773503 0.3019767), wk = 0.0019342 k( 356) = ( 0.3333333 0.5773503 0.3019767), wk = 0.0019342 k( 357) = ( 0.3293173 0.5703942 0.3019767), wk = 0.0019342 k( 358) = ( 0.3253012 0.5634382 0.3019767), wk = 0.0019342 k( 359) = ( 0.3212851 0.5564822 0.3019767), wk = 0.0019342 k( 360) = ( 0.3172691 0.5495262 0.3019767), wk = 0.0019342 k( 361) = ( 0.3132530 0.5425701 0.3019767), wk = 0.0019342 k( 362) = ( 0.3092370 0.5356141 0.3019767), wk = 0.0019342 k( 363) = ( 0.3052209 0.5286581 0.3019767), wk = 0.0019342 k( 364) = ( 0.3012048 0.5217021 0.3019767), wk = 0.0019342 k( 365) = ( 0.2971888 0.5147460 0.3019767), wk = 0.0019342 k( 366) = ( 0.2931727 0.5077900 0.3019767), wk = 0.0019342 k( 367) = ( 0.2891566 0.5008340 0.3019767), wk = 0.0019342 k( 368) = ( 0.2851406 0.4938779 0.3019767), wk = 0.0019342 k( 369) = ( 0.2811245 0.4869219 0.3019767), wk = 0.0019342 k( 370) = ( 0.2771084 0.4799659 0.3019767), wk = 0.0019342 k( 371) = ( 0.2730924 0.4730099 0.3019767), wk = 0.0019342 k( 372) = ( 0.2690763 0.4660538 0.3019767), wk = 0.0019342 k( 373) = ( 0.2650602 0.4590978 0.3019767), wk = 0.0019342 k( 374) = ( 0.2610442 0.4521418 0.3019767), wk = 0.0019342 k( 375) = ( 0.2570281 0.4451857 0.3019767), wk = 0.0019342 k( 376) = ( 0.2530120 0.4382297 0.3019767), wk = 0.0019342 k( 377) = ( 0.2489960 0.4312737 0.3019767), wk = 0.0019342 k( 378) = ( 0.2449799 0.4243177 0.3019767), wk = 0.0019342 k( 379) = ( 0.2409639 0.4173616 0.3019767), wk = 0.0019342 k( 380) = ( 0.2369478 0.4104056 0.3019767), wk = 0.0019342 k( 381) = ( 0.2329317 0.4034496 0.3019767), wk = 0.0019342 k( 382) = ( 0.2289157 0.3964936 0.3019767), wk = 0.0019342 k( 383) = ( 0.2248996 0.3895375 0.3019767), wk = 0.0019342 k( 384) = ( 0.2208835 0.3825815 0.3019767), wk = 0.0019342 k( 385) = ( 0.2168675 0.3756255 0.3019767), wk = 0.0019342 k( 386) = ( 0.2128514 0.3686695 0.3019767), wk = 0.0019342 k( 387) = ( 0.2088353 0.3617134 0.3019767), wk = 0.0019342 k( 388) = ( 0.2048193 0.3547574 0.3019767), wk = 0.0019342 k( 389) = ( 0.2008032 0.3478014 0.3019767), wk = 0.0019342 k( 390) = ( 0.1967871 0.3408453 0.3019767), wk = 0.0019342 k( 391) = ( 0.1927711 0.3338893 0.3019767), wk = 0.0019342 k( 392) = ( 0.1887550 0.3269333 0.3019767), wk = 0.0019342 k( 393) = ( 0.1847390 0.3199773 0.3019767), wk = 0.0019342 k( 394) = ( 0.1807229 0.3130212 0.3019767), wk = 0.0019342 k( 395) = ( 0.1767068 0.3060652 0.3019767), wk = 0.0019342 k( 396) = ( 0.1726908 0.2991092 0.3019767), wk = 0.0019342 k( 397) = ( 0.1686747 0.2921532 0.3019767), wk = 0.0019342 k( 398) = ( 0.1646586 0.2851971 0.3019767), wk = 0.0019342 k( 399) = ( 0.1606426 0.2782411 0.3019767), wk = 0.0019342 k( 400) = ( 0.1566265 0.2712851 0.3019767), wk = 0.0019342 k( 401) = ( 0.1526104 0.2643290 0.3019767), wk = 0.0019342 k( 402) = ( 0.1485944 0.2573730 0.3019767), wk = 0.0019342 k( 403) = ( 0.1445783 0.2504170 0.3019767), wk = 0.0019342 k( 404) = ( 0.1405622 0.2434610 0.3019767), wk = 0.0019342 k( 405) = ( 0.1365462 0.2365049 0.3019767), wk = 0.0019342 k( 406) = ( 0.1325301 0.2295489 0.3019767), wk = 0.0019342 k( 407) = ( 0.1285141 0.2225929 0.3019767), wk = 0.0019342 k( 408) = ( 0.1244980 0.2156368 0.3019767), wk = 0.0019342 k( 409) = ( 0.1204819 0.2086808 0.3019767), wk = 0.0019342 k( 410) = ( 0.1164659 0.2017248 0.3019767), wk = 0.0019342 k( 411) = ( 0.1124498 0.1947688 0.3019767), wk = 0.0019342 k( 412) = ( 0.1084337 0.1878127 0.3019767), wk = 0.0019342 k( 413) = ( 0.1044177 0.1808567 0.3019767), wk = 0.0019342 k( 414) = ( 0.1004016 0.1739007 0.3019767), wk = 0.0019342 k( 415) = ( 0.0963855 0.1669447 0.3019767), wk = 0.0019342 k( 416) = ( 0.0923695 0.1599886 0.3019767), wk = 0.0019342 k( 417) = ( 0.0883534 0.1530326 0.3019767), wk = 0.0019342 k( 418) = ( 0.0843374 0.1460766 0.3019767), wk = 0.0019342 k( 419) = ( 0.0803213 0.1391206 0.3019767), wk = 0.0019342 k( 420) = ( 0.0763052 0.1321645 0.3019767), wk = 0.0019342 k( 421) = ( 0.0722892 0.1252085 0.3019767), wk = 0.0019342 k( 422) = ( 0.0682731 0.1182525 0.3019767), wk = 0.0019342 k( 423) = ( 0.0642570 0.1112964 0.3019767), wk = 0.0019342 k( 424) = ( 0.0602410 0.1043404 0.3019767), wk = 0.0019342 k( 425) = ( 0.0562249 0.0973844 0.3019767), wk = 0.0019342 k( 426) = ( 0.0522088 0.0904284 0.3019767), wk = 0.0019342 k( 427) = ( 0.0481928 0.0834723 0.3019767), wk = 0.0019342 k( 428) = ( 0.0441767 0.0765163 0.3019767), wk = 0.0019342 k( 429) = ( 0.0401606 0.0695603 0.3019767), wk = 0.0019342 k( 430) = ( 0.0361446 0.0626042 0.3019767), wk = 0.0019342 k( 431) = ( 0.0321285 0.0556482 0.3019767), wk = 0.0019342 k( 432) = ( 0.0281125 0.0486922 0.3019767), wk = 0.0019342 k( 433) = ( 0.0240964 0.0417362 0.3019767), wk = 0.0019342 k( 434) = ( 0.0200803 0.0347801 0.3019767), wk = 0.0019342 k( 435) = ( 0.0160643 0.0278241 0.3019767), wk = 0.0019342 k( 436) = ( 0.0120482 0.0208681 0.3019767), wk = 0.0019342 k( 437) = ( 0.0080321 0.0139121 0.3019767), wk = 0.0019342 k( 438) = ( 0.0040161 0.0069560 0.3019767), wk = 0.0019342 k( 439) = ( 0.0000000 0.0000000 0.3019767), wk = 0.0019342 k( 440) = ( 0.5000000 0.2886751 0.3019767), wk = 0.0019342 k( 441) = ( 0.5000000 0.2886751 0.2940299), wk = 0.0019342 k( 442) = ( 0.5000000 0.2886751 0.2860832), wk = 0.0019342 k( 443) = ( 0.5000000 0.2886751 0.2781364), wk = 0.0019342 k( 444) = ( 0.5000000 0.2886751 0.2701896), wk = 0.0019342 k( 445) = ( 0.5000000 0.2886751 0.2622429), wk = 0.0019342 k( 446) = ( 0.5000000 0.2886751 0.2542961), wk = 0.0019342 k( 447) = ( 0.5000000 0.2886751 0.2463494), wk = 0.0019342 k( 448) = ( 0.5000000 0.2886751 0.2384026), wk = 0.0019342 k( 449) = ( 0.5000000 0.2886751 0.2304559), wk = 0.0019342 k( 450) = ( 0.5000000 0.2886751 0.2225091), wk = 0.0019342 k( 451) = ( 0.5000000 0.2886751 0.2145624), wk = 0.0019342 k( 452) = ( 0.5000000 0.2886751 0.2066156), wk = 0.0019342 k( 453) = ( 0.5000000 0.2886751 0.1986689), wk = 0.0019342 k( 454) = ( 0.5000000 0.2886751 0.1907221), wk = 0.0019342 k( 455) = ( 0.5000000 0.2886751 0.1827753), wk = 0.0019342 k( 456) = ( 0.5000000 0.2886751 0.1748286), wk = 0.0019342 k( 457) = ( 0.5000000 0.2886751 0.1668818), wk = 0.0019342 k( 458) = ( 0.5000000 0.2886751 0.1589351), wk = 0.0019342 k( 459) = ( 0.5000000 0.2886751 0.1509883), wk = 0.0019342 k( 460) = ( 0.5000000 0.2886751 0.1430416), wk = 0.0019342 k( 461) = ( 0.5000000 0.2886751 0.1350948), wk = 0.0019342 k( 462) = ( 0.5000000 0.2886751 0.1271481), wk = 0.0019342 k( 463) = ( 0.5000000 0.2886751 0.1192013), wk = 0.0019342 k( 464) = ( 0.5000000 0.2886751 0.1112546), wk = 0.0019342 k( 465) = ( 0.5000000 0.2886751 0.1033078), wk = 0.0019342 k( 466) = ( 0.5000000 0.2886751 0.0953611), wk = 0.0019342 k( 467) = ( 0.5000000 0.2886751 0.0874143), wk = 0.0019342 k( 468) = ( 0.5000000 0.2886751 0.0794675), wk = 0.0019342 k( 469) = ( 0.5000000 0.2886751 0.0715208), wk = 0.0019342 k( 470) = ( 0.5000000 0.2886751 0.0635740), wk = 0.0019342 k( 471) = ( 0.5000000 0.2886751 0.0556273), wk = 0.0019342 k( 472) = ( 0.5000000 0.2886751 0.0476805), wk = 0.0019342 k( 473) = ( 0.5000000 0.2886751 0.0397338), wk = 0.0019342 k( 474) = ( 0.5000000 0.2886751 0.0317870), wk = 0.0019342 k( 475) = ( 0.5000000 0.2886751 0.0238403), wk = 0.0019342 k( 476) = ( 0.5000000 0.2886751 0.0158935), wk = 0.0019342 k( 477) = ( 0.5000000 0.2886751 0.0079468), wk = 0.0019342 k( 478) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0019342 k( 479) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0019342 k( 480) = ( 0.3333333 0.5773503 0.0079468), wk = 0.0019342 k( 481) = ( 0.3333333 0.5773503 0.0158935), wk = 0.0019342 k( 482) = ( 0.3333333 0.5773503 0.0238403), wk = 0.0019342 k( 483) = ( 0.3333333 0.5773503 0.0317870), wk = 0.0019342 k( 484) = ( 0.3333333 0.5773503 0.0397338), wk = 0.0019342 k( 485) = ( 0.3333333 0.5773503 0.0476805), wk = 0.0019342 k( 486) = ( 0.3333333 0.5773503 0.0556273), wk = 0.0019342 k( 487) = ( 0.3333333 0.5773503 0.0635740), wk = 0.0019342 k( 488) = ( 0.3333333 0.5773503 0.0715208), wk = 0.0019342 k( 489) = ( 0.3333333 0.5773503 0.0794675), wk = 0.0019342 k( 490) = ( 0.3333333 0.5773503 0.0874143), wk = 0.0019342 k( 491) = ( 0.3333333 0.5773503 0.0953611), wk = 0.0019342 k( 492) = ( 0.3333333 0.5773503 0.1033078), wk = 0.0019342 k( 493) = ( 0.3333333 0.5773503 0.1112546), wk = 0.0019342 k( 494) = ( 0.3333333 0.5773503 0.1192013), wk = 0.0019342 k( 495) = ( 0.3333333 0.5773503 0.1271481), wk = 0.0019342 k( 496) = ( 0.3333333 0.5773503 0.1350948), wk = 0.0019342 k( 497) = ( 0.3333333 0.5773503 0.1430416), wk = 0.0019342 k( 498) = ( 0.3333333 0.5773503 0.1509883), wk = 0.0019342 k( 499) = ( 0.3333333 0.5773503 0.1589351), wk = 0.0019342 k( 500) = ( 0.3333333 0.5773503 0.1668818), wk = 0.0019342 k( 501) = ( 0.3333333 0.5773503 0.1748286), wk = 0.0019342 k( 502) = ( 0.3333333 0.5773503 0.1827753), wk = 0.0019342 k( 503) = ( 0.3333333 0.5773503 0.1907221), wk = 0.0019342 k( 504) = ( 0.3333333 0.5773503 0.1986689), wk = 0.0019342 k( 505) = ( 0.3333333 0.5773503 0.2066156), wk = 0.0019342 k( 506) = ( 0.3333333 0.5773503 0.2145624), wk = 0.0019342 k( 507) = ( 0.3333333 0.5773503 0.2225091), wk = 0.0019342 k( 508) = ( 0.3333333 0.5773503 0.2304559), wk = 0.0019342 k( 509) = ( 0.3333333 0.5773503 0.2384026), wk = 0.0019342 k( 510) = ( 0.3333333 0.5773503 0.2463494), wk = 0.0019342 k( 511) = ( 0.3333333 0.5773503 0.2542961), wk = 0.0019342 k( 512) = ( 0.3333333 0.5773503 0.2622429), wk = 0.0019342 k( 513) = ( 0.3333333 0.5773503 0.2701896), wk = 0.0019342 k( 514) = ( 0.3333333 0.5773503 0.2781364), wk = 0.0019342 k( 515) = ( 0.3333333 0.5773503 0.2860832), wk = 0.0019342 k( 516) = ( 0.3333333 0.5773503 0.2940299), wk = 0.0019342 k( 517) = ( 0.3333333 0.5773503 0.3019767), wk = 0.0019342 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 2) = ( 0.0069444 0.0000000 -0.0000000), wk = 0.0019342 k( 3) = ( 0.0138889 -0.0000000 0.0000000), wk = 0.0019342 k( 4) = ( 0.0208333 0.0000000 0.0000000), wk = 0.0019342 k( 5) = ( 0.0277778 -0.0000000 0.0000000), wk = 0.0019342 k( 6) = ( 0.0347222 0.0000000 0.0000000), wk = 0.0019342 k( 7) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0019342 k( 8) = ( 0.0486111 -0.0000000 0.0000000), wk = 0.0019342 k( 9) = ( 0.0555556 -0.0000000 0.0000000), wk = 0.0019342 k( 10) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0019342 k( 11) = ( 0.0694444 0.0000000 0.0000000), wk = 0.0019342 k( 12) = ( 0.0763889 0.0000000 -0.0000000), wk = 0.0019342 k( 13) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0019342 k( 14) = ( 0.0902778 0.0000000 0.0000000), wk = 0.0019342 k( 15) = ( 0.0972222 -0.0000000 0.0000000), wk = 0.0019342 k( 16) = ( 0.1041667 0.0000000 -0.0000000), wk = 0.0019342 k( 17) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0019342 k( 18) = ( 0.1180556 0.0000000 0.0000000), wk = 0.0019342 k( 19) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0019342 k( 20) = ( 0.1319444 0.0000000 0.0000000), wk = 0.0019342 k( 21) = ( 0.1388889 0.0000000 0.0000000), wk = 0.0019342 k( 22) = ( 0.1458333 0.0000000 0.0000000), wk = 0.0019342 k( 23) = ( 0.1527778 0.0000000 -0.0000000), wk = 0.0019342 k( 24) = ( 0.1597222 0.0000000 0.0000000), wk = 0.0019342 k( 25) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0019342 k( 26) = ( 0.1736111 0.0000000 -0.0000000), wk = 0.0019342 k( 27) = ( 0.1805556 0.0000000 0.0000000), wk = 0.0019342 k( 28) = ( 0.1875000 -0.0000000 0.0000000), wk = 0.0019342 k( 29) = ( 0.1944444 -0.0000000 0.0000000), wk = 0.0019342 k( 30) = ( 0.2013889 -0.0000000 0.0000000), wk = 0.0019342 k( 31) = ( 0.2083333 -0.0000000 0.0000000), wk = 0.0019342 k( 32) = ( 0.2152778 0.0000000 0.0000000), wk = 0.0019342 k( 33) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0019342 k( 34) = ( 0.2291667 0.0000000 0.0000000), wk = 0.0019342 k( 35) = ( 0.2361111 0.0000000 0.0000000), wk = 0.0019342 k( 36) = ( 0.2430556 0.0000000 0.0000000), wk = 0.0019342 k( 37) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0019342 k( 38) = ( 0.2569444 0.0000000 0.0000000), wk = 0.0019342 k( 39) = ( 0.2638889 0.0000000 -0.0000000), wk = 0.0019342 k( 40) = ( 0.2708333 0.0000000 0.0000000), wk = 0.0019342 k( 41) = ( 0.2777778 0.0000000 0.0000000), wk = 0.0019342 k( 42) = ( 0.2847222 0.0000000 0.0000000), wk = 0.0019342 k( 43) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0019342 k( 44) = ( 0.2986111 0.0000000 0.0000000), wk = 0.0019342 k( 45) = ( 0.3055556 0.0000000 -0.0000000), wk = 0.0019342 k( 46) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0019342 k( 47) = ( 0.3194444 0.0000000 0.0000000), wk = 0.0019342 k( 48) = ( 0.3263889 -0.0000000 -0.0000000), wk = 0.0019342 k( 49) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0019342 k( 50) = ( 0.3402778 0.0000000 0.0000000), wk = 0.0019342 k( 51) = ( 0.3472222 0.0000000 -0.0000000), wk = 0.0019342 k( 52) = ( 0.3541667 0.0000000 0.0000000), wk = 0.0019342 k( 53) = ( 0.3611111 0.0000000 0.0000000), wk = 0.0019342 k( 54) = ( 0.3680556 0.0000000 0.0000000), wk = 0.0019342 k( 55) = ( 0.3750000 -0.0000000 0.0000000), wk = 0.0019342 k( 56) = ( 0.3819444 -0.0000000 0.0000000), wk = 0.0019342 k( 57) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0019342 k( 58) = ( 0.3958333 -0.0000000 0.0000000), wk = 0.0019342 k( 59) = ( 0.4027778 -0.0000000 0.0000000), wk = 0.0019342 k( 60) = ( 0.4097222 -0.0000000 0.0000000), wk = 0.0019342 k( 61) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0019342 k( 62) = ( 0.4236111 0.0000000 0.0000000), wk = 0.0019342 k( 63) = ( 0.4305556 0.0000000 0.0000000), wk = 0.0019342 k( 64) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0019342 k( 65) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0019342 k( 66) = ( 0.4513889 0.0000000 0.0000000), wk = 0.0019342 k( 67) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0019342 k( 68) = ( 0.4652778 -0.0000000 0.0000000), wk = 0.0019342 k( 69) = ( 0.4722222 0.0000000 0.0000000), wk = 0.0019342 k( 70) = ( 0.4791667 -0.0000000 0.0000000), wk = 0.0019342 k( 71) = ( 0.4861111 0.0000000 0.0000000), wk = 0.0019342 k( 72) = ( 0.4930556 0.0000000 0.0000000), wk = 0.0019342 k( 73) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019342 k( 74) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019342 k( 75) = ( 0.4960317 0.0079365 0.0000000), wk = 0.0019342 k( 76) = ( 0.4920635 0.0158730 0.0000000), wk = 0.0019342 k( 77) = ( 0.4880952 0.0238095 0.0000000), wk = 0.0019342 k( 78) = ( 0.4841270 0.0317460 0.0000000), wk = 0.0019342 k( 79) = ( 0.4801587 0.0396825 0.0000000), wk = 0.0019342 k( 80) = ( 0.4761905 0.0476190 0.0000000), wk = 0.0019342 k( 81) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0019342 k( 82) = ( 0.4682540 0.0634921 0.0000000), wk = 0.0019342 k( 83) = ( 0.4642857 0.0714286 -0.0000000), wk = 0.0019342 k( 84) = ( 0.4603175 0.0793651 0.0000000), wk = 0.0019342 k( 85) = ( 0.4563492 0.0873016 0.0000000), wk = 0.0019342 k( 86) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0019342 k( 87) = ( 0.4484127 0.1031746 0.0000000), wk = 0.0019342 k( 88) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0019342 k( 89) = ( 0.4404762 0.1190476 0.0000000), wk = 0.0019342 k( 90) = ( 0.4365079 0.1269841 -0.0000000), wk = 0.0019342 k( 91) = ( 0.4325397 0.1349206 0.0000000), wk = 0.0019342 k( 92) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0019342 k( 93) = ( 0.4246032 0.1507937 0.0000000), wk = 0.0019342 k( 94) = ( 0.4206349 0.1587302 -0.0000000), wk = 0.0019342 k( 95) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0019342 k( 96) = ( 0.4126984 0.1746032 0.0000000), wk = 0.0019342 k( 97) = ( 0.4087302 0.1825397 0.0000000), wk = 0.0019342 k( 98) = ( 0.4047619 0.1904762 0.0000000), wk = 0.0019342 k( 99) = ( 0.4007937 0.1984127 -0.0000000), wk = 0.0019342 k( 100) = ( 0.3968254 0.2063492 0.0000000), wk = 0.0019342 k( 101) = ( 0.3928571 0.2142857 -0.0000000), wk = 0.0019342 k( 102) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0019342 k( 103) = ( 0.3849206 0.2301587 0.0000000), wk = 0.0019342 k( 104) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0019342 k( 105) = ( 0.3769841 0.2460318 0.0000000), wk = 0.0019342 k( 106) = ( 0.3730159 0.2539682 -0.0000000), wk = 0.0019342 k( 107) = ( 0.3690476 0.2619048 0.0000000), wk = 0.0019342 k( 108) = ( 0.3650794 0.2698413 0.0000000), wk = 0.0019342 k( 109) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0019342 k( 110) = ( 0.3571429 0.2857143 -0.0000000), wk = 0.0019342 k( 111) = ( 0.3531746 0.2936508 0.0000000), wk = 0.0019342 k( 112) = ( 0.3492063 0.3015873 0.0000000), wk = 0.0019342 k( 113) = ( 0.3452381 0.3095238 0.0000000), wk = 0.0019342 k( 114) = ( 0.3412698 0.3174603 -0.0000000), wk = 0.0019342 k( 115) = ( 0.3373016 0.3253968 0.0000000), wk = 0.0019342 k( 116) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019342 k( 117) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019342 k( 118) = ( 0.3293173 0.3293173 0.0000000), wk = 0.0019342 k( 119) = ( 0.3253012 0.3253012 0.0000000), wk = 0.0019342 k( 120) = ( 0.3212851 0.3212851 0.0000000), wk = 0.0019342 k( 121) = ( 0.3172691 0.3172691 0.0000000), wk = 0.0019342 k( 122) = ( 0.3132530 0.3132530 0.0000000), wk = 0.0019342 k( 123) = ( 0.3092370 0.3092370 0.0000000), wk = 0.0019342 k( 124) = ( 0.3052209 0.3052209 0.0000000), wk = 0.0019342 k( 125) = ( 0.3012048 0.3012048 0.0000000), wk = 0.0019342 k( 126) = ( 0.2971888 0.2971888 0.0000000), wk = 0.0019342 k( 127) = ( 0.2931727 0.2931727 0.0000000), wk = 0.0019342 k( 128) = ( 0.2891566 0.2891566 0.0000000), wk = 0.0019342 k( 129) = ( 0.2851406 0.2851406 -0.0000000), wk = 0.0019342 k( 130) = ( 0.2811245 0.2811245 0.0000000), wk = 0.0019342 k( 131) = ( 0.2771084 0.2771084 0.0000000), wk = 0.0019342 k( 132) = ( 0.2730924 0.2730924 0.0000000), wk = 0.0019342 k( 133) = ( 0.2690763 0.2690763 0.0000000), wk = 0.0019342 k( 134) = ( 0.2650602 0.2650602 0.0000000), wk = 0.0019342 k( 135) = ( 0.2610442 0.2610442 0.0000000), wk = 0.0019342 k( 136) = ( 0.2570281 0.2570281 0.0000000), wk = 0.0019342 k( 137) = ( 0.2530120 0.2530121 0.0000000), wk = 0.0019342 k( 138) = ( 0.2489960 0.2489960 0.0000000), wk = 0.0019342 k( 139) = ( 0.2449799 0.2449799 0.0000000), wk = 0.0019342 k( 140) = ( 0.2409639 0.2409639 0.0000000), wk = 0.0019342 k( 141) = ( 0.2369478 0.2369478 0.0000000), wk = 0.0019342 k( 142) = ( 0.2329317 0.2329317 -0.0000000), wk = 0.0019342 k( 143) = ( 0.2289157 0.2289157 0.0000000), wk = 0.0019342 k( 144) = ( 0.2248996 0.2248996 0.0000000), wk = 0.0019342 k( 145) = ( 0.2208835 0.2208835 0.0000000), wk = 0.0019342 k( 146) = ( 0.2168675 0.2168675 0.0000000), wk = 0.0019342 k( 147) = ( 0.2128514 0.2128514 -0.0000000), wk = 0.0019342 k( 148) = ( 0.2088353 0.2088353 0.0000000), wk = 0.0019342 k( 149) = ( 0.2048193 0.2048193 0.0000000), wk = 0.0019342 k( 150) = ( 0.2008032 0.2008032 0.0000000), wk = 0.0019342 k( 151) = ( 0.1967871 0.1967872 0.0000000), wk = 0.0019342 k( 152) = ( 0.1927711 0.1927711 0.0000000), wk = 0.0019342 k( 153) = ( 0.1887550 0.1887550 0.0000000), wk = 0.0019342 k( 154) = ( 0.1847390 0.1847390 0.0000000), wk = 0.0019342 k( 155) = ( 0.1807229 0.1807229 0.0000000), wk = 0.0019342 k( 156) = ( 0.1767068 0.1767068 -0.0000000), wk = 0.0019342 k( 157) = ( 0.1726908 0.1726908 0.0000000), wk = 0.0019342 k( 158) = ( 0.1686747 0.1686747 0.0000000), wk = 0.0019342 k( 159) = ( 0.1646586 0.1646586 0.0000000), wk = 0.0019342 k( 160) = ( 0.1606426 0.1606426 0.0000000), wk = 0.0019342 k( 161) = ( 0.1566265 0.1566265 0.0000000), wk = 0.0019342 k( 162) = ( 0.1526104 0.1526104 0.0000000), wk = 0.0019342 k( 163) = ( 0.1485944 0.1485944 0.0000000), wk = 0.0019342 k( 164) = ( 0.1445783 0.1445783 0.0000000), wk = 0.0019342 k( 165) = ( 0.1405622 0.1405622 0.0000000), wk = 0.0019342 k( 166) = ( 0.1365462 0.1365462 0.0000000), wk = 0.0019342 k( 167) = ( 0.1325301 0.1325301 0.0000000), wk = 0.0019342 k( 168) = ( 0.1285141 0.1285141 0.0000000), wk = 0.0019342 k( 169) = ( 0.1244980 0.1244980 0.0000000), wk = 0.0019342 k( 170) = ( 0.1204819 0.1204819 0.0000000), wk = 0.0019342 k( 171) = ( 0.1164659 0.1164659 0.0000000), wk = 0.0019342 k( 172) = ( 0.1124498 0.1124498 0.0000000), wk = 0.0019342 k( 173) = ( 0.1084337 0.1084337 0.0000000), wk = 0.0019342 k( 174) = ( 0.1044177 0.1044177 0.0000000), wk = 0.0019342 k( 175) = ( 0.1004016 0.1004016 -0.0000000), wk = 0.0019342 k( 176) = ( 0.0963855 0.0963855 0.0000000), wk = 0.0019342 k( 177) = ( 0.0923695 0.0923695 0.0000000), wk = 0.0019342 k( 178) = ( 0.0883534 0.0883534 0.0000000), wk = 0.0019342 k( 179) = ( 0.0843374 0.0843374 0.0000000), wk = 0.0019342 k( 180) = ( 0.0803213 0.0803213 0.0000000), wk = 0.0019342 k( 181) = ( 0.0763052 0.0763052 0.0000000), wk = 0.0019342 k( 182) = ( 0.0722892 0.0722892 0.0000000), wk = 0.0019342 k( 183) = ( 0.0682731 0.0682731 0.0000000), wk = 0.0019342 k( 184) = ( 0.0642570 0.0642570 0.0000000), wk = 0.0019342 k( 185) = ( 0.0602410 0.0602410 0.0000000), wk = 0.0019342 k( 186) = ( 0.0562249 0.0562249 0.0000000), wk = 0.0019342 k( 187) = ( 0.0522088 0.0522088 -0.0000000), wk = 0.0019342 k( 188) = ( 0.0481928 0.0481928 0.0000000), wk = 0.0019342 k( 189) = ( 0.0441767 0.0441767 0.0000000), wk = 0.0019342 k( 190) = ( 0.0401606 0.0401606 0.0000000), wk = 0.0019342 k( 191) = ( 0.0361446 0.0361446 0.0000000), wk = 0.0019342 k( 192) = ( 0.0321285 0.0321285 0.0000000), wk = 0.0019342 k( 193) = ( 0.0281125 0.0281125 0.0000000), wk = 0.0019342 k( 194) = ( 0.0240964 0.0240964 -0.0000000), wk = 0.0019342 k( 195) = ( 0.0200803 0.0200803 0.0000000), wk = 0.0019342 k( 196) = ( 0.0160643 0.0160643 0.0000000), wk = 0.0019342 k( 197) = ( 0.0120482 0.0120482 0.0000000), wk = 0.0019342 k( 198) = ( 0.0080321 0.0080321 0.0000000), wk = 0.0019342 k( 199) = ( 0.0040161 0.0040161 0.0000000), wk = 0.0019342 k( 200) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019342 k( 202) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0019342 k( 203) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0019342 k( 204) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0019342 k( 205) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0019342 k( 206) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0019342 k( 207) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0019342 k( 208) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0019342 k( 209) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0019342 k( 210) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0019342 k( 211) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0019342 k( 212) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0019342 k( 213) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0019342 k( 214) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0019342 k( 215) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0019342 k( 216) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0019342 k( 217) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0019342 k( 218) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0019342 k( 219) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0019342 k( 220) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0019342 k( 221) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0019342 k( 222) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0019342 k( 223) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0019342 k( 224) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0019342 k( 225) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0019342 k( 226) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0019342 k( 227) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0019342 k( 228) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0019342 k( 229) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0019342 k( 230) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0019342 k( 231) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0019342 k( 232) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0019342 k( 233) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0019342 k( 234) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0019342 k( 235) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0019342 k( 236) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0019342 k( 237) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0019342 k( 238) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0019342 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019342 k( 240) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019342 k( 241) = ( 0.0069444 0.0000000 0.5000000), wk = 0.0019342 k( 242) = ( 0.0138889 -0.0000000 0.5000000), wk = 0.0019342 k( 243) = ( 0.0208333 0.0000000 0.5000000), wk = 0.0019342 k( 244) = ( 0.0277778 -0.0000000 0.5000000), wk = 0.0019342 k( 245) = ( 0.0347222 0.0000000 0.5000000), wk = 0.0019342 k( 246) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0019342 k( 247) = ( 0.0486111 -0.0000000 0.5000000), wk = 0.0019342 k( 248) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0019342 k( 249) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0019342 k( 250) = ( 0.0694444 0.0000000 0.5000000), wk = 0.0019342 k( 251) = ( 0.0763889 0.0000000 0.5000000), wk = 0.0019342 k( 252) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0019342 k( 253) = ( 0.0902778 0.0000000 0.5000000), wk = 0.0019342 k( 254) = ( 0.0972222 -0.0000000 0.5000000), wk = 0.0019342 k( 255) = ( 0.1041667 0.0000000 0.5000000), wk = 0.0019342 k( 256) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0019342 k( 257) = ( 0.1180556 0.0000000 0.5000000), wk = 0.0019342 k( 258) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0019342 k( 259) = ( 0.1319444 0.0000000 0.5000000), wk = 0.0019342 k( 260) = ( 0.1388889 0.0000000 0.5000000), wk = 0.0019342 k( 261) = ( 0.1458333 0.0000000 0.5000000), wk = 0.0019342 k( 262) = ( 0.1527778 0.0000000 0.5000000), wk = 0.0019342 k( 263) = ( 0.1597222 0.0000000 0.5000000), wk = 0.0019342 k( 264) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0019342 k( 265) = ( 0.1736111 0.0000000 0.5000000), wk = 0.0019342 k( 266) = ( 0.1805556 0.0000000 0.5000000), wk = 0.0019342 k( 267) = ( 0.1875000 -0.0000000 0.5000000), wk = 0.0019342 k( 268) = ( 0.1944444 -0.0000000 0.5000000), wk = 0.0019342 k( 269) = ( 0.2013889 -0.0000000 0.5000000), wk = 0.0019342 k( 270) = ( 0.2083333 -0.0000000 0.5000000), wk = 0.0019342 k( 271) = ( 0.2152778 0.0000000 0.5000000), wk = 0.0019342 k( 272) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0019342 k( 273) = ( 0.2291667 0.0000000 0.5000000), wk = 0.0019342 k( 274) = ( 0.2361111 0.0000000 0.5000000), wk = 0.0019342 k( 275) = ( 0.2430556 0.0000000 0.5000000), wk = 0.0019342 k( 276) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0019342 k( 277) = ( 0.2569444 0.0000000 0.5000000), wk = 0.0019342 k( 278) = ( 0.2638889 0.0000000 0.5000000), wk = 0.0019342 k( 279) = ( 0.2708333 0.0000000 0.5000000), wk = 0.0019342 k( 280) = ( 0.2777778 0.0000000 0.5000000), wk = 0.0019342 k( 281) = ( 0.2847222 0.0000000 0.5000000), wk = 0.0019342 k( 282) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0019342 k( 283) = ( 0.2986111 0.0000000 0.5000000), wk = 0.0019342 k( 284) = ( 0.3055556 0.0000000 0.5000000), wk = 0.0019342 k( 285) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0019342 k( 286) = ( 0.3194444 0.0000000 0.5000000), wk = 0.0019342 k( 287) = ( 0.3263889 -0.0000000 0.5000000), wk = 0.0019342 k( 288) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0019342 k( 289) = ( 0.3402778 0.0000000 0.5000000), wk = 0.0019342 k( 290) = ( 0.3472222 0.0000000 0.5000000), wk = 0.0019342 k( 291) = ( 0.3541667 0.0000000 0.5000000), wk = 0.0019342 k( 292) = ( 0.3611111 0.0000000 0.5000000), wk = 0.0019342 k( 293) = ( 0.3680556 0.0000000 0.5000000), wk = 0.0019342 k( 294) = ( 0.3750000 -0.0000000 0.5000000), wk = 0.0019342 k( 295) = ( 0.3819444 -0.0000000 0.5000000), wk = 0.0019342 k( 296) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0019342 k( 297) = ( 0.3958333 -0.0000000 0.5000000), wk = 0.0019342 k( 298) = ( 0.4027778 -0.0000000 0.5000000), wk = 0.0019342 k( 299) = ( 0.4097222 -0.0000000 0.5000000), wk = 0.0019342 k( 300) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0019342 k( 301) = ( 0.4236111 0.0000000 0.5000000), wk = 0.0019342 k( 302) = ( 0.4305556 0.0000000 0.5000000), wk = 0.0019342 k( 303) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0019342 k( 304) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0019342 k( 305) = ( 0.4513889 0.0000000 0.5000000), wk = 0.0019342 k( 306) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0019342 k( 307) = ( 0.4652778 -0.0000000 0.5000000), wk = 0.0019342 k( 308) = ( 0.4722222 0.0000000 0.5000000), wk = 0.0019342 k( 309) = ( 0.4791667 -0.0000000 0.5000000), wk = 0.0019342 k( 310) = ( 0.4861111 0.0000000 0.5000000), wk = 0.0019342 k( 311) = ( 0.4930556 0.0000000 0.5000000), wk = 0.0019342 k( 312) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019342 k( 313) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019342 k( 314) = ( 0.4960317 0.0079365 0.5000000), wk = 0.0019342 k( 315) = ( 0.4920635 0.0158730 0.5000000), wk = 0.0019342 k( 316) = ( 0.4880952 0.0238095 0.5000000), wk = 0.0019342 k( 317) = ( 0.4841270 0.0317460 0.5000000), wk = 0.0019342 k( 318) = ( 0.4801587 0.0396825 0.5000000), wk = 0.0019342 k( 319) = ( 0.4761905 0.0476190 0.5000000), wk = 0.0019342 k( 320) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0019342 k( 321) = ( 0.4682540 0.0634921 0.5000000), wk = 0.0019342 k( 322) = ( 0.4642857 0.0714286 0.5000000), wk = 0.0019342 k( 323) = ( 0.4603175 0.0793651 0.5000000), wk = 0.0019342 k( 324) = ( 0.4563492 0.0873016 0.5000000), wk = 0.0019342 k( 325) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0019342 k( 326) = ( 0.4484127 0.1031746 0.5000000), wk = 0.0019342 k( 327) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0019342 k( 328) = ( 0.4404762 0.1190476 0.5000000), wk = 0.0019342 k( 329) = ( 0.4365079 0.1269841 0.5000000), wk = 0.0019342 k( 330) = ( 0.4325397 0.1349206 0.5000000), wk = 0.0019342 k( 331) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0019342 k( 332) = ( 0.4246032 0.1507937 0.5000000), wk = 0.0019342 k( 333) = ( 0.4206349 0.1587302 0.5000000), wk = 0.0019342 k( 334) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0019342 k( 335) = ( 0.4126984 0.1746032 0.5000000), wk = 0.0019342 k( 336) = ( 0.4087302 0.1825397 0.5000000), wk = 0.0019342 k( 337) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0019342 k( 338) = ( 0.4007937 0.1984127 0.5000000), wk = 0.0019342 k( 339) = ( 0.3968254 0.2063492 0.5000000), wk = 0.0019342 k( 340) = ( 0.3928571 0.2142857 0.5000000), wk = 0.0019342 k( 341) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0019342 k( 342) = ( 0.3849206 0.2301587 0.5000000), wk = 0.0019342 k( 343) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0019342 k( 344) = ( 0.3769841 0.2460318 0.5000000), wk = 0.0019342 k( 345) = ( 0.3730159 0.2539682 0.5000000), wk = 0.0019342 k( 346) = ( 0.3690476 0.2619048 0.5000000), wk = 0.0019342 k( 347) = ( 0.3650794 0.2698413 0.5000000), wk = 0.0019342 k( 348) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0019342 k( 349) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0019342 k( 350) = ( 0.3531746 0.2936508 0.5000000), wk = 0.0019342 k( 351) = ( 0.3492063 0.3015873 0.5000000), wk = 0.0019342 k( 352) = ( 0.3452381 0.3095238 0.5000000), wk = 0.0019342 k( 353) = ( 0.3412698 0.3174603 0.5000000), wk = 0.0019342 k( 354) = ( 0.3373016 0.3253968 0.5000000), wk = 0.0019342 k( 355) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019342 k( 356) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019342 k( 357) = ( 0.3293173 0.3293173 0.5000000), wk = 0.0019342 k( 358) = ( 0.3253012 0.3253012 0.5000000), wk = 0.0019342 k( 359) = ( 0.3212851 0.3212851 0.5000000), wk = 0.0019342 k( 360) = ( 0.3172691 0.3172691 0.5000000), wk = 0.0019342 k( 361) = ( 0.3132530 0.3132530 0.5000000), wk = 0.0019342 k( 362) = ( 0.3092370 0.3092370 0.5000000), wk = 0.0019342 k( 363) = ( 0.3052209 0.3052209 0.5000000), wk = 0.0019342 k( 364) = ( 0.3012048 0.3012048 0.5000000), wk = 0.0019342 k( 365) = ( 0.2971888 0.2971888 0.5000000), wk = 0.0019342 k( 366) = ( 0.2931727 0.2931727 0.5000000), wk = 0.0019342 k( 367) = ( 0.2891566 0.2891566 0.5000000), wk = 0.0019342 k( 368) = ( 0.2851406 0.2851406 0.5000000), wk = 0.0019342 k( 369) = ( 0.2811245 0.2811245 0.5000000), wk = 0.0019342 k( 370) = ( 0.2771084 0.2771084 0.5000000), wk = 0.0019342 k( 371) = ( 0.2730924 0.2730924 0.5000000), wk = 0.0019342 k( 372) = ( 0.2690763 0.2690763 0.5000000), wk = 0.0019342 k( 373) = ( 0.2650602 0.2650602 0.5000000), wk = 0.0019342 k( 374) = ( 0.2610442 0.2610442 0.5000000), wk = 0.0019342 k( 375) = ( 0.2570281 0.2570281 0.5000000), wk = 0.0019342 k( 376) = ( 0.2530120 0.2530121 0.5000000), wk = 0.0019342 k( 377) = ( 0.2489960 0.2489960 0.5000000), wk = 0.0019342 k( 378) = ( 0.2449799 0.2449799 0.5000000), wk = 0.0019342 k( 379) = ( 0.2409639 0.2409639 0.5000000), wk = 0.0019342 k( 380) = ( 0.2369478 0.2369478 0.5000000), wk = 0.0019342 k( 381) = ( 0.2329317 0.2329317 0.5000000), wk = 0.0019342 k( 382) = ( 0.2289157 0.2289157 0.5000000), wk = 0.0019342 k( 383) = ( 0.2248996 0.2248996 0.5000000), wk = 0.0019342 k( 384) = ( 0.2208835 0.2208835 0.5000000), wk = 0.0019342 k( 385) = ( 0.2168675 0.2168675 0.5000000), wk = 0.0019342 k( 386) = ( 0.2128514 0.2128514 0.5000000), wk = 0.0019342 k( 387) = ( 0.2088353 0.2088353 0.5000000), wk = 0.0019342 k( 388) = ( 0.2048193 0.2048193 0.5000000), wk = 0.0019342 k( 389) = ( 0.2008032 0.2008032 0.5000000), wk = 0.0019342 k( 390) = ( 0.1967871 0.1967872 0.5000000), wk = 0.0019342 k( 391) = ( 0.1927711 0.1927711 0.5000000), wk = 0.0019342 k( 392) = ( 0.1887550 0.1887550 0.5000000), wk = 0.0019342 k( 393) = ( 0.1847390 0.1847390 0.5000000), wk = 0.0019342 k( 394) = ( 0.1807229 0.1807229 0.5000000), wk = 0.0019342 k( 395) = ( 0.1767068 0.1767068 0.5000000), wk = 0.0019342 k( 396) = ( 0.1726908 0.1726908 0.5000000), wk = 0.0019342 k( 397) = ( 0.1686747 0.1686747 0.5000000), wk = 0.0019342 k( 398) = ( 0.1646586 0.1646586 0.5000000), wk = 0.0019342 k( 399) = ( 0.1606426 0.1606426 0.5000000), wk = 0.0019342 k( 400) = ( 0.1566265 0.1566265 0.5000000), wk = 0.0019342 k( 401) = ( 0.1526104 0.1526104 0.5000000), wk = 0.0019342 k( 402) = ( 0.1485944 0.1485944 0.5000000), wk = 0.0019342 k( 403) = ( 0.1445783 0.1445783 0.5000000), wk = 0.0019342 k( 404) = ( 0.1405622 0.1405622 0.5000000), wk = 0.0019342 k( 405) = ( 0.1365462 0.1365462 0.5000000), wk = 0.0019342 k( 406) = ( 0.1325301 0.1325301 0.5000000), wk = 0.0019342 k( 407) = ( 0.1285141 0.1285141 0.5000000), wk = 0.0019342 k( 408) = ( 0.1244980 0.1244980 0.5000000), wk = 0.0019342 k( 409) = ( 0.1204819 0.1204819 0.5000000), wk = 0.0019342 k( 410) = ( 0.1164659 0.1164659 0.5000000), wk = 0.0019342 k( 411) = ( 0.1124498 0.1124498 0.5000000), wk = 0.0019342 k( 412) = ( 0.1084337 0.1084337 0.5000000), wk = 0.0019342 k( 413) = ( 0.1044177 0.1044177 0.5000000), wk = 0.0019342 k( 414) = ( 0.1004016 0.1004016 0.5000000), wk = 0.0019342 k( 415) = ( 0.0963855 0.0963855 0.5000000), wk = 0.0019342 k( 416) = ( 0.0923695 0.0923695 0.5000000), wk = 0.0019342 k( 417) = ( 0.0883534 0.0883534 0.5000000), wk = 0.0019342 k( 418) = ( 0.0843374 0.0843374 0.5000000), wk = 0.0019342 k( 419) = ( 0.0803213 0.0803213 0.5000000), wk = 0.0019342 k( 420) = ( 0.0763052 0.0763052 0.5000000), wk = 0.0019342 k( 421) = ( 0.0722892 0.0722892 0.5000000), wk = 0.0019342 k( 422) = ( 0.0682731 0.0682731 0.5000000), wk = 0.0019342 k( 423) = ( 0.0642570 0.0642570 0.5000000), wk = 0.0019342 k( 424) = ( 0.0602410 0.0602410 0.5000000), wk = 0.0019342 k( 425) = ( 0.0562249 0.0562249 0.5000000), wk = 0.0019342 k( 426) = ( 0.0522088 0.0522088 0.5000000), wk = 0.0019342 k( 427) = ( 0.0481928 0.0481928 0.5000000), wk = 0.0019342 k( 428) = ( 0.0441767 0.0441767 0.5000000), wk = 0.0019342 k( 429) = ( 0.0401606 0.0401606 0.5000000), wk = 0.0019342 k( 430) = ( 0.0361446 0.0361446 0.5000000), wk = 0.0019342 k( 431) = ( 0.0321285 0.0321285 0.5000000), wk = 0.0019342 k( 432) = ( 0.0281125 0.0281125 0.5000000), wk = 0.0019342 k( 433) = ( 0.0240964 0.0240964 0.5000000), wk = 0.0019342 k( 434) = ( 0.0200803 0.0200803 0.5000000), wk = 0.0019342 k( 435) = ( 0.0160643 0.0160643 0.5000000), wk = 0.0019342 k( 436) = ( 0.0120482 0.0120482 0.5000000), wk = 0.0019342 k( 437) = ( 0.0080321 0.0080321 0.5000000), wk = 0.0019342 k( 438) = ( 0.0040161 0.0040161 0.5000000), wk = 0.0019342 k( 439) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019342 k( 440) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0019342 k( 441) = ( 0.5000000 0.0000000 0.4868421), wk = 0.0019342 k( 442) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0019342 k( 443) = ( 0.5000000 0.0000000 0.4605263), wk = 0.0019342 k( 444) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0019342 k( 445) = ( 0.5000000 0.0000000 0.4342105), wk = 0.0019342 k( 446) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0019342 k( 447) = ( 0.5000000 0.0000000 0.4078947), wk = 0.0019342 k( 448) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0019342 k( 449) = ( 0.5000000 0.0000000 0.3815789), wk = 0.0019342 k( 450) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0019342 k( 451) = ( 0.5000000 0.0000000 0.3552632), wk = 0.0019342 k( 452) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0019342 k( 453) = ( 0.5000000 0.0000000 0.3289474), wk = 0.0019342 k( 454) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0019342 k( 455) = ( 0.5000000 0.0000000 0.3026316), wk = 0.0019342 k( 456) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0019342 k( 457) = ( 0.5000000 0.0000000 0.2763158), wk = 0.0019342 k( 458) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0019342 k( 459) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0019342 k( 460) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0019342 k( 461) = ( 0.5000000 0.0000000 0.2236842), wk = 0.0019342 k( 462) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0019342 k( 463) = ( 0.5000000 0.0000000 0.1973684), wk = 0.0019342 k( 464) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0019342 k( 465) = ( 0.5000000 0.0000000 0.1710526), wk = 0.0019342 k( 466) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0019342 k( 467) = ( 0.5000000 0.0000000 0.1447368), wk = 0.0019342 k( 468) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0019342 k( 469) = ( 0.5000000 0.0000000 0.1184211), wk = 0.0019342 k( 470) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0019342 k( 471) = ( 0.5000000 0.0000000 0.0921053), wk = 0.0019342 k( 472) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0019342 k( 473) = ( 0.5000000 0.0000000 0.0657895), wk = 0.0019342 k( 474) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0019342 k( 475) = ( 0.5000000 0.0000000 0.0394737), wk = 0.0019342 k( 476) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0019342 k( 477) = ( 0.5000000 0.0000000 0.0131579), wk = 0.0019342 k( 478) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0019342 k( 479) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0019342 k( 480) = ( 0.3333333 0.3333333 0.0131579), wk = 0.0019342 k( 481) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0019342 k( 482) = ( 0.3333333 0.3333333 0.0394737), wk = 0.0019342 k( 483) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0019342 k( 484) = ( 0.3333333 0.3333333 0.0657895), wk = 0.0019342 k( 485) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0019342 k( 486) = ( 0.3333333 0.3333333 0.0921053), wk = 0.0019342 k( 487) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0019342 k( 488) = ( 0.3333333 0.3333333 0.1184210), wk = 0.0019342 k( 489) = ( 0.3333333 0.3333333 0.1315789), wk = 0.0019342 k( 490) = ( 0.3333333 0.3333333 0.1447368), wk = 0.0019342 k( 491) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0019342 k( 492) = ( 0.3333333 0.3333333 0.1710526), wk = 0.0019342 k( 493) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0019342 k( 494) = ( 0.3333333 0.3333333 0.1973684), wk = 0.0019342 k( 495) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0019342 k( 496) = ( 0.3333333 0.3333333 0.2236842), wk = 0.0019342 k( 497) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0019342 k( 498) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0019342 k( 499) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0019342 k( 500) = ( 0.3333333 0.3333333 0.2763158), wk = 0.0019342 k( 501) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0019342 k( 502) = ( 0.3333333 0.3333333 0.3026316), wk = 0.0019342 k( 503) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0019342 k( 504) = ( 0.3333333 0.3333333 0.3289474), wk = 0.0019342 k( 505) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0019342 k( 506) = ( 0.3333333 0.3333333 0.3552632), wk = 0.0019342 k( 507) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0019342 k( 508) = ( 0.3333333 0.3333333 0.3815789), wk = 0.0019342 k( 509) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0019342 k( 510) = ( 0.3333333 0.3333333 0.4078947), wk = 0.0019342 k( 511) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0019342 k( 512) = ( 0.3333333 0.3333333 0.4342105), wk = 0.0019342 k( 513) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0019342 k( 514) = ( 0.3333333 0.3333333 0.4605263), wk = 0.0019342 k( 515) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0019342 k( 516) = ( 0.3333333 0.3333333 0.4868421), wk = 0.0019342 k( 517) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0019342 Dense grid: 15639 G-vectors FFT dimensions: ( 27, 27, 45) Smooth grid: 6219 G-vectors FFT dimensions: ( 24, 24, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.01 Mb ( 34, 24) NL pseudopotentials 0.01 Mb ( 17, 56) Each V/rho on FFT grid 0.01 Mb ( 729) Each G-vector array 0.00 Mb ( 322) G-vector shells 0.00 Mb ( 166) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.05 Mb ( 34, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 56, 2, 24) Check: negative/imaginary core charge= -0.000007 0.000000 The potential is recalculated from file : ./BN.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 39.6 secs Computing kpt #: 2 total cpu time spent up to now is 39.8 secs Computing kpt #: 3 total cpu time spent up to now is 40.0 secs Computing kpt #: 4 total cpu time spent up to now is 40.2 secs Computing kpt #: 5 total cpu time spent up to now is 40.4 secs Computing kpt #: 6 total cpu time spent up to now is 40.6 secs Computing kpt #: 7 total cpu time spent up to now is 40.8 secs Computing kpt #: 8 total cpu time spent up to now is 41.0 secs Computing kpt #: 9 total cpu time spent up to now is 41.2 secs Computing kpt #: 10 total cpu time spent up to now is 41.4 secs Computing kpt #: 11 total cpu time spent up to now is 41.6 secs Computing kpt #: 12 total cpu time spent up to now is 41.8 secs Computing kpt #: 13 total cpu time spent up to now is 42.0 secs Computing kpt #: 14 total cpu time spent up to now is 42.2 secs Computing kpt #: 15 total cpu time spent up to now is 42.4 secs Computing kpt #: 16 total cpu time spent up to now is 42.6 secs Computing kpt #: 17 total cpu time spent up to now is 42.8 secs Computing kpt #: 18 total cpu time spent up to now is 42.9 secs Computing kpt #: 19 total cpu time spent up to now is 43.1 secs Computing kpt #: 20 total cpu time spent up to now is 43.4 secs Computing kpt #: 21 total cpu time spent up to now is 43.6 secs Computing kpt #: 22 total cpu time spent up to now is 43.7 secs Computing kpt #: 23 total cpu time spent up to now is 43.9 secs Computing kpt #: 24 total cpu time spent up to now is 44.2 secs Computing kpt #: 25 total cpu time spent up to now is 44.4 secs Computing kpt #: 26 total cpu time spent up to now is 44.6 secs Computing kpt #: 27 total cpu time spent up to now is 44.8 secs Computing kpt #: 28 total cpu time spent up to now is 45.0 secs Computing kpt #: 29 total cpu time spent up to now is 45.2 secs Computing kpt #: 30 total cpu time spent up to now is 45.4 secs Computing kpt #: 31 total cpu time spent up to now is 45.6 secs Computing kpt #: 32 total cpu time spent up to now is 45.8 secs Computing kpt #: 33 total cpu time spent up to now is 46.1 secs Computing kpt #: 34 total cpu time spent up to now is 46.3 secs Computing kpt #: 35 total cpu time spent up to now is 46.5 secs Computing kpt #: 36 total cpu time spent up to now is 46.7 secs Computing kpt #: 37 total cpu time spent up to now is 47.0 secs Computing kpt #: 38 total cpu time spent up to now is 47.2 secs Computing kpt #: 39 total cpu time spent up to now is 47.4 secs Computing kpt #: 40 total cpu time spent up to now is 47.7 secs Computing kpt #: 41 total cpu time spent up to now is 47.9 secs Computing kpt #: 42 total cpu time spent up to now is 48.1 secs Computing kpt #: 43 total cpu time spent up to now is 48.4 secs Computing kpt #: 44 total cpu time spent up to now is 48.7 secs Computing kpt #: 45 total cpu time spent up to now is 49.0 secs Computing kpt #: 46 total cpu time spent up to now is 49.4 secs Computing kpt #: 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55.6 secs Computing kpt #: 63 total cpu time spent up to now is 56.4 secs Computing kpt #: 64 total cpu time spent up to now is 58.4 secs Computing kpt #: 65 total cpu time spent up to now is 58.7 secs Computing kpt #: 66 total cpu time spent up to now is 58.9 secs Computing kpt #: 67 total cpu time spent up to now is 59.1 secs Computing kpt #: 68 total cpu time spent up to now is 60.1 secs Computing kpt #: 69 total cpu time spent up to now is 60.9 secs Computing kpt #: 70 total cpu time spent up to now is 62.4 secs Computing kpt #: 71 total cpu time spent up to now is 62.7 secs Computing kpt #: 72 total cpu time spent up to now is 63.0 secs Computing kpt #: 73 total cpu time spent up to now is 63.3 secs Computing kpt #: 74 total cpu time spent up to now is 63.5 secs Computing kpt #: 75 total cpu time spent up to now is 63.7 secs Computing kpt #: 76 total cpu time spent up to now is 63.9 secs Computing kpt #: 77 total cpu time spent up to now is 64.3 secs Computing kpt #: 78 total cpu 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Computing kpt #: 94 total cpu time spent up to now is 75.3 secs Computing kpt #: 95 total cpu time spent up to now is 75.6 secs Computing kpt #: 96 total cpu time spent up to now is 76.9 secs Computing kpt #: 97 total cpu time spent up to now is 77.2 secs Computing kpt #: 98 total cpu time spent up to now is 77.9 secs Computing kpt #: 99 total cpu time spent up to now is 79.2 secs Computing kpt #: 100 total cpu time spent up to now is 79.8 secs Computing kpt #: 101 total cpu time spent up to now is 80.4 secs Computing kpt #: 102 total cpu time spent up to now is 81.3 secs Computing kpt #: 103 total cpu time spent up to now is 82.0 secs Computing kpt #: 104 total cpu time spent up to now is 82.7 secs Computing kpt #: 105 total cpu time spent up to now is 83.7 secs Computing kpt #: 106 total cpu time spent up to now is 84.9 secs Computing kpt #: 107 total cpu time spent up to now is 85.4 secs Computing kpt #: 108 total cpu time spent up to now is 86.2 secs Computing kpt #: 109 total cpu 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Computing kpt #: 201 total cpu time spent up to now is 113.3 secs Computing kpt #: 202 total cpu time spent up to now is 113.5 secs Computing kpt #: 203 total cpu time spent up to now is 113.7 secs Computing kpt #: 204 total cpu time spent up to now is 113.9 secs Computing kpt #: 205 total cpu time spent up to now is 114.2 secs Computing kpt #: 206 total cpu time spent up to now is 114.4 secs Computing kpt #: 207 total cpu time spent up to now is 114.6 secs Computing kpt #: 208 total cpu time spent up to now is 114.8 secs Computing kpt #: 209 total cpu time spent up to now is 115.0 secs Computing kpt #: 210 total cpu time spent up to now is 115.2 secs Computing kpt #: 211 total cpu time spent up to now is 115.4 secs Computing kpt #: 212 total cpu time spent up to now is 115.6 secs Computing kpt #: 213 total cpu time spent up to now is 115.7 secs Computing kpt #: 214 total cpu time spent up to now is 115.9 secs Computing kpt #: 215 total cpu time spent up to now is 116.1 secs Computing kpt #: 216 total cpu time spent up to now is 116.3 secs Computing kpt #: 217 total cpu time spent up to now is 116.5 secs Computing kpt #: 218 total cpu time spent up to now is 116.7 secs Computing kpt #: 219 total cpu time spent up to now is 117.5 secs Computing kpt #: 220 total cpu time spent up to now is 117.6 secs Computing kpt #: 221 total cpu time spent up to now is 117.8 secs Computing kpt #: 222 total cpu time spent up to now is 118.0 secs Computing kpt #: 223 total cpu time spent up to now is 118.2 secs Computing kpt #: 224 total cpu time spent up to now is 118.4 secs Computing kpt #: 225 total cpu time spent up to now is 118.6 secs Computing kpt #: 226 total cpu time spent up to now is 118.8 secs Computing kpt #: 227 total cpu time spent up to now is 119.0 secs Computing kpt #: 228 total cpu time spent up to now is 119.5 secs Computing kpt #: 229 total cpu time spent up to now is 119.8 secs Computing kpt #: 230 total cpu time spent up to now is 120.0 secs Computing kpt #: 231 total cpu time spent up to now is 120.4 secs Computing kpt #: 232 total cpu time spent up to now is 120.6 secs Computing kpt #: 233 total cpu time spent up to now is 120.8 secs Computing kpt #: 234 total cpu time spent up to now is 121.0 secs Computing kpt #: 235 total cpu time spent up to now is 121.4 secs Computing kpt #: 236 total cpu time spent up to now is 121.7 secs Computing kpt #: 237 total cpu time spent up to now is 122.1 secs Computing kpt #: 238 total cpu time spent up to now is 122.4 secs Computing kpt #: 239 total cpu time spent up to now is 122.8 secs Computing kpt #: 240 total cpu time spent up to now is 123.1 secs Computing kpt #: 241 total cpu time spent up to now is 123.4 secs Computing kpt #: 242 total cpu time spent up to now is 123.7 secs Computing kpt #: 243 total cpu time spent up to now is 124.0 secs Computing kpt #: 244 total cpu time spent up to now is 124.2 secs Computing kpt #: 245 total cpu time spent up to now is 124.5 secs Computing kpt #: 246 total cpu time spent up to now is 124.7 secs Computing kpt #: 247 total cpu time spent up to now is 125.0 secs Computing kpt #: 248 total cpu time spent up to now is 125.2 secs Computing kpt #: 249 total cpu time spent up to now is 125.7 secs Computing kpt #: 250 total cpu time spent up to now is 125.9 secs Computing kpt #: 251 total cpu time spent up to now is 126.2 secs Computing kpt #: 252 total cpu time spent up to now is 126.6 secs Computing kpt #: 253 total cpu time spent up to now is 126.9 secs Computing kpt #: 254 total cpu time spent up to now is 127.2 secs Computing kpt #: 255 total cpu time spent up to now is 127.5 secs Computing kpt #: 256 total cpu time spent up to now is 127.8 secs Computing kpt #: 257 total cpu time spent up to now is 128.1 secs Computing kpt #: 258 total cpu time spent up to now is 128.4 secs Computing kpt #: 259 total cpu time spent up to now is 128.6 secs Computing kpt #: 260 total cpu time spent up to now is 128.9 secs Computing kpt #: 261 total cpu time spent up to now is 129.6 secs Computing kpt #: 262 total cpu time spent up to now is 129.8 secs Computing kpt #: 263 total cpu time spent up to now is 130.1 secs Computing kpt #: 264 total cpu time spent up to now is 130.4 secs Computing kpt #: 265 total cpu time spent up to now is 130.7 secs Computing kpt #: 266 total cpu time spent up to now is 131.0 secs Computing kpt #: 267 total cpu time spent up to now is 131.3 secs Computing kpt #: 268 total cpu time spent up to now is 131.6 secs Computing kpt #: 269 total cpu time spent up to now is 131.8 secs Computing kpt #: 270 total cpu time spent up to now is 132.1 secs Computing kpt #: 271 total cpu time spent up to now is 132.3 secs Computing kpt #: 272 total cpu time spent up to now is 132.6 secs Computing kpt #: 273 total cpu time spent up to now is 132.8 secs Computing kpt #: 274 total cpu time spent up to now is 133.6 secs Computing kpt #: 275 total cpu time spent up to now is 133.9 secs Computing kpt #: 276 total cpu time spent up to now is 134.1 secs Computing kpt #: 277 total cpu time spent up to now is 134.3 secs Computing kpt #: 278 total cpu time spent up to now is 134.6 secs Computing kpt #: 279 total cpu time spent up to now is 134.8 secs Computing kpt #: 280 total cpu time spent up to now is 135.0 secs Computing kpt #: 281 total cpu time spent up to now is 135.2 secs Computing kpt #: 282 total cpu time spent up to now is 135.4 secs Computing kpt #: 283 total cpu time spent up to now is 135.7 secs Computing kpt #: 284 total cpu time spent up to now is 136.0 secs Computing kpt #: 285 total cpu time spent up to now is 136.2 secs Computing kpt #: 286 total cpu time spent up to now is 136.4 secs Computing kpt #: 287 total cpu time spent up to now is 136.7 secs Computing kpt #: 288 total cpu time spent up to now is 136.9 secs Computing kpt #: 289 total cpu time spent up to now is 137.1 secs Computing kpt #: 290 total cpu time spent up to now is 137.4 secs Computing kpt #: 291 total cpu time spent up to now is 137.6 secs Computing kpt #: 292 total cpu time spent up to now is 137.8 secs Computing kpt #: 293 total cpu time spent up to now is 138.1 secs Computing kpt #: 294 total cpu time spent up to now is 138.6 secs Computing kpt #: 295 total cpu time spent up to now is 138.8 secs Computing kpt #: 296 total cpu time spent up to now is 138.9 secs Computing kpt #: 297 total cpu time spent up to now is 139.2 secs Computing kpt #: 298 total cpu time spent up to now is 139.4 secs Computing kpt #: 299 total cpu time spent up to now is 139.6 secs Computing kpt #: 300 total cpu time spent up to now is 139.8 secs Computing kpt #: 301 total cpu time spent up to now is 140.0 secs Computing kpt #: 302 total cpu time spent up to now is 140.2 secs Computing kpt #: 303 total cpu time spent up to now is 140.4 secs Computing kpt #: 304 total cpu time spent up to now is 141.0 secs Computing kpt #: 305 total cpu time spent up to now is 141.2 secs Computing kpt #: 306 total cpu time spent up to now is 141.4 secs 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kpt #: 322 total cpu time spent up to now is 144.9 secs Computing kpt #: 323 total cpu time spent up to now is 145.4 secs Computing kpt #: 324 total cpu time spent up to now is 145.6 secs Computing kpt #: 325 total cpu time spent up to now is 145.8 secs Computing kpt #: 326 total cpu time spent up to now is 146.0 secs Computing kpt #: 327 total cpu time spent up to now is 146.2 secs Computing kpt #: 328 total cpu time spent up to now is 147.0 secs Computing kpt #: 329 total cpu time spent up to now is 147.2 secs Computing kpt #: 330 total cpu time spent up to now is 147.4 secs Computing kpt #: 331 total cpu time spent up to now is 147.6 secs Computing kpt #: 332 total cpu time spent up to now is 147.8 secs Computing kpt #: 333 total cpu time spent up to now is 148.0 secs Computing kpt #: 334 total cpu time spent up to now is 148.3 secs Computing kpt #: 335 total cpu time spent up to now is 148.5 secs Computing kpt #: 336 total cpu time spent up to now is 149.2 secs Computing kpt #: 337 total cpu time spent up to now is 149.4 secs Computing kpt #: 338 total cpu time spent up to now is 149.6 secs Computing kpt #: 339 total cpu time spent up to now is 149.9 secs Computing kpt #: 340 total cpu time spent up to now is 150.3 secs Computing kpt #: 341 total cpu time spent up to now is 150.5 secs Computing kpt #: 342 total cpu time spent up to now is 150.8 secs Computing kpt #: 343 total cpu time spent up to now is 151.2 secs Computing kpt #: 344 total cpu time spent up to now is 151.6 secs Computing kpt #: 345 total cpu time spent up to now is 151.9 secs Computing kpt #: 346 total cpu time spent up to now is 152.2 secs Computing kpt #: 347 total cpu time spent up to now is 152.5 secs Computing kpt #: 348 total cpu time spent up to now is 152.9 secs Computing kpt #: 349 total cpu time spent up to now is 153.3 secs Computing kpt #: 350 total cpu time spent up to now is 153.5 secs Computing kpt #: 351 total cpu time spent up to now is 153.7 secs Computing kpt #: 352 total cpu time spent up to now is 153.8 secs Computing kpt #: 353 total cpu time spent up to now is 154.0 secs Computing kpt #: 354 total cpu time spent up to now is 154.2 secs Computing kpt #: 355 total cpu time spent up to now is 154.4 secs Computing kpt #: 356 total cpu time spent up to now is 154.5 secs Computing kpt #: 357 total cpu time spent up to now is 154.7 secs Computing kpt #: 358 total cpu time spent up to now is 154.9 secs Computing kpt #: 359 total cpu time spent up to now is 155.1 secs Computing kpt #: 360 total cpu time spent up to now is 155.2 secs Computing kpt #: 361 total cpu time spent up to now is 155.4 secs Computing kpt #: 362 total cpu time spent up to now is 155.6 secs Computing kpt #: 363 total cpu time spent up to now is 155.8 secs Computing kpt #: 364 total cpu time spent up to now is 155.9 secs Computing kpt #: 365 total cpu time spent up to now is 157.1 secs Computing kpt #: 366 total cpu time spent up to now is 157.5 secs Computing kpt #: 367 total cpu time spent up to now is 158.2 secs Computing kpt #: 368 total cpu time spent up to now is 158.9 secs Computing kpt #: 369 total cpu time spent up to now is 159.3 secs Computing kpt #: 370 total cpu time spent up to now is 159.5 secs Computing kpt #: 371 total cpu time spent up to now is 159.7 secs Computing kpt #: 372 total cpu time spent up to now is 159.9 secs Computing kpt #: 373 total cpu time spent up to now is 160.1 secs Computing kpt #: 374 total cpu time spent up to now is 160.3 secs Computing kpt #: 375 total cpu time spent up to now is 160.5 secs Computing kpt #: 376 total cpu time spent up to now is 160.7 secs Computing kpt #: 377 total cpu time spent up to now is 161.0 secs Computing kpt #: 378 total cpu time spent up to now is 161.2 secs Computing kpt #: 379 total cpu time spent up to now is 161.4 secs Computing kpt #: 380 total cpu time spent up to now is 161.7 secs Computing kpt #: 381 total cpu time spent up to now is 161.9 secs Computing kpt #: 382 total cpu time spent up to now is 162.2 secs Computing kpt #: 383 total cpu time spent up to now is 162.4 secs Computing kpt #: 384 total cpu time spent up to now is 162.7 secs Computing kpt #: 385 total cpu time spent up to now is 163.1 secs Computing kpt #: 386 total cpu time spent up to now is 163.5 secs Computing kpt #: 387 total cpu time spent up to now is 164.1 secs Computing kpt #: 388 total cpu time spent up to now is 164.6 secs Computing kpt #: 389 total cpu time spent up to now is 165.6 secs Computing kpt #: 390 total cpu time spent up to now is 166.2 secs Computing kpt #: 391 total cpu time spent up to now is 167.5 secs Computing kpt #: 392 total cpu time spent up to now is 168.6 secs Computing kpt #: 393 total cpu time spent up to now is 169.6 secs Computing kpt #: 394 total cpu time spent up to now is 170.4 secs Computing kpt #: 395 total cpu time spent up to now is 171.0 secs Computing kpt #: 396 total cpu time spent up to now is 171.6 secs Computing kpt #: 397 total cpu time spent up to now is 172.1 secs Computing kpt #: 398 total cpu time spent up to now is 173.4 secs Computing kpt #: 399 total cpu time spent up to now is 174.5 secs Computing kpt #: 400 total cpu time spent up to now is 175.3 secs Computing kpt #: 401 total cpu time spent up to now is 176.0 secs Computing kpt #: 402 total cpu time spent up to now is 176.2 secs Computing kpt #: 403 total cpu time spent up to now is 176.4 secs Computing kpt #: 404 total cpu time spent up to now is 176.6 secs Computing kpt #: 405 total cpu time spent up to now is 176.9 secs Computing kpt #: 406 total cpu time spent up to now is 177.1 secs Computing kpt #: 407 total cpu time spent up to now is 177.3 secs Computing kpt #: 408 total cpu time spent up to now is 177.5 secs Computing kpt #: 409 total cpu time spent up to now is 177.7 secs Computing kpt #: 410 total cpu time spent up to now is 177.9 secs Computing kpt #: 411 total cpu time spent up to now is 178.1 secs Computing kpt #: 412 total cpu time spent up to now is 178.3 secs Computing kpt #: 413 total cpu time spent up to now is 178.6 secs Computing kpt #: 414 total cpu time spent up to now is 178.8 secs Computing kpt #: 415 total cpu time spent up to now is 179.0 secs Computing kpt #: 416 total cpu time spent up to now is 179.2 secs Computing kpt #: 417 total cpu time spent up to now is 179.4 secs Computing kpt #: 418 total cpu time spent up to now is 179.6 secs Computing kpt #: 419 total cpu time spent up to now is 179.8 secs Computing kpt #: 420 total cpu time spent up to now is 180.0 secs Computing kpt #: 421 total cpu time spent up to now is 180.2 secs Computing kpt #: 422 total cpu time spent up to now is 180.4 secs Computing kpt #: 423 total cpu time spent up to now is 180.6 secs Computing kpt #: 424 total cpu time spent up to now is 180.8 secs Computing kpt #: 425 total cpu time spent up to now is 181.0 secs Computing kpt #: 426 total cpu time spent up to now is 181.2 secs Computing kpt #: 427 total cpu time spent up to now is 181.5 secs Computing kpt #: 428 total cpu time spent up to now is 181.7 secs Computing kpt #: 429 total cpu time spent up to now is 181.9 secs Computing kpt #: 430 total cpu time spent up to now is 182.2 secs Computing kpt #: 431 total cpu time spent up to now is 182.4 secs Computing kpt #: 432 total cpu time spent up to now is 182.7 secs Computing kpt #: 433 total cpu time spent up to now is 182.9 secs Computing kpt #: 434 total cpu time spent up to now is 183.8 secs Computing kpt #: 435 total cpu time spent up to now is 184.5 secs Computing kpt #: 436 total cpu time spent up to now is 185.0 secs Computing kpt #: 437 total cpu time spent up to now is 185.4 secs Computing kpt #: 438 total cpu time spent up to now is 185.7 secs Computing kpt #: 439 total cpu time spent up to now is 186.3 secs Computing kpt #: 440 total cpu time spent up to now is 186.6 secs Computing kpt #: 441 total cpu time spent up to now is 187.1 secs Computing kpt #: 442 total cpu time spent up to now is 187.4 secs Computing kpt #: 443 total cpu time spent up to now is 187.8 secs Computing kpt #: 444 total cpu time spent up to now is 188.3 secs Computing kpt #: 445 total cpu time spent up to now is 188.6 secs Computing kpt #: 446 total cpu time spent up to now is 189.1 secs Computing kpt #: 447 total cpu time spent up to now is 189.7 secs Computing kpt #: 448 total cpu time spent up to now is 190.2 secs Computing kpt #: 449 total cpu time spent up to now is 190.5 secs Computing kpt #: 450 total cpu time spent up to now is 191.3 secs Computing kpt #: 451 total cpu time spent up to now is 191.6 secs Computing kpt #: 452 total cpu time spent up to now is 191.9 secs Computing kpt #: 453 total cpu time spent up to now is 192.5 secs Computing kpt #: 454 total cpu time spent up to now is 192.7 secs Computing kpt #: 455 total cpu time spent up to now is 193.0 secs Computing kpt #: 456 total cpu time spent up to now is 193.3 secs Computing kpt #: 457 total cpu time spent up to now is 193.6 secs Computing kpt #: 458 total cpu time spent up to now is 193.9 secs Computing kpt #: 459 total cpu time spent up to now is 194.2 secs Computing kpt #: 460 total cpu time spent up to now is 194.4 secs Computing kpt #: 461 total cpu time spent up to now is 194.7 secs Computing kpt #: 462 total cpu time spent up to now is 194.9 secs Computing kpt #: 463 total cpu time spent up to now is 195.1 secs Computing kpt #: 464 total cpu time spent up to now is 195.3 secs Computing kpt #: 465 total cpu time spent up to now is 195.5 secs Computing kpt #: 466 total cpu time spent up to now is 195.7 secs Computing kpt #: 467 total cpu time spent up to now is 195.9 secs Computing kpt #: 468 total cpu time spent up to now is 196.1 secs Computing kpt #: 469 total cpu time spent up to now is 196.3 secs Computing kpt #: 470 total cpu time spent up to now is 196.5 secs Computing kpt #: 471 total cpu time spent up to now is 196.7 secs Computing kpt #: 472 total cpu time spent up to now is 196.9 secs Computing kpt #: 473 total cpu time spent up to now is 197.1 secs Computing kpt #: 474 total cpu time spent up to now is 197.4 secs Computing kpt #: 475 total cpu time spent up to now is 197.6 secs Computing kpt #: 476 total cpu time spent up to now is 197.8 secs Computing kpt #: 477 total cpu time spent up to now is 198.1 secs Computing kpt #: 478 total cpu time spent up to now is 198.3 secs Computing kpt #: 479 total cpu time spent up to now is 198.7 secs Computing kpt #: 480 total cpu time spent up to now is 199.2 secs Computing kpt #: 481 total cpu time spent up to now is 199.6 secs Computing kpt #: 482 total cpu time spent up to now is 199.8 secs Computing kpt #: 483 total cpu time spent up to now is 200.2 secs Computing kpt #: 484 total cpu time spent up to now is 201.2 secs Computing kpt #: 485 total cpu time spent up to now is 201.5 secs Computing kpt #: 486 total cpu time spent up to now is 202.0 secs Computing kpt #: 487 total cpu time spent up to now is 202.3 secs Computing kpt #: 488 total cpu time spent up to now is 202.8 secs Computing kpt #: 489 total cpu time spent up to now is 203.3 secs Computing kpt #: 490 total cpu time spent up to now is 203.6 secs Computing kpt #: 491 total cpu time spent up to now is 203.9 secs Computing kpt #: 492 total cpu time spent up to now is 204.1 secs Computing kpt #: 493 total cpu time spent up to now is 204.4 secs Computing kpt #: 494 total cpu time spent up to now is 204.6 secs Computing kpt #: 495 total cpu time spent up to now is 204.9 secs Computing kpt #: 496 total cpu time spent up to now is 205.1 secs Computing kpt #: 497 total cpu time spent up to now is 205.4 secs Computing kpt #: 498 total cpu time spent up to now is 205.6 secs Computing kpt #: 499 total cpu time spent up to now is 205.8 secs Computing kpt #: 500 total cpu time spent up to now is 206.1 secs Computing kpt #: 501 total cpu time spent up to now is 206.6 secs Computing kpt #: 502 total cpu time spent up to now is 206.9 secs Computing kpt #: 503 total cpu time spent up to now is 207.1 secs Computing kpt #: 504 total cpu time spent up to now is 207.4 secs Computing kpt #: 505 total cpu time spent up to now is 207.7 secs Computing kpt #: 506 total cpu time spent up to now is 208.0 secs Computing kpt #: 507 total cpu time spent up to now is 208.4 secs Computing kpt #: 508 total cpu time spent up to now is 209.2 secs Computing kpt #: 509 total cpu time spent up to now is 209.6 secs Computing kpt #: 510 total cpu time spent up to now is 209.8 secs Computing kpt #: 511 total cpu time spent up to now is 210.3 secs Computing kpt #: 512 total cpu time spent up to now is 210.8 secs Computing kpt #: 513 total cpu time spent up to now is 211.2 secs Computing kpt #: 514 total cpu time spent up to now is 211.7 secs Computing kpt #: 515 total cpu time spent up to now is 211.9 secs Computing kpt #: 516 total cpu time spent up to now is 212.4 secs Computing kpt #: 517 total cpu time spent up to now is 212.6 secs ethr = 6.25E-11, avg # of iterations = 20.9 total cpu time spent up to now is 212.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 761 PWs) bands (ev): -9.0524 -9.0524 -4.8568 -4.8568 0.4549 0.4549 9.3420 9.3420 9.3539 9.3539 11.2399 11.2399 11.4817 11.4817 11.4959 11.4959 20.0044 20.0044 20.0093 20.0093 20.1754 20.1754 21.2077 21.2077 k = 0.0069 0.0040-0.0000 ( 761 PWs) bands (ev): -9.0513 -9.0513 -4.8560 -4.8559 0.4560 0.4560 9.3381 9.3382 9.3504 9.3504 11.2387 11.2390 11.4788 11.4791 11.4934 11.4934 20.0013 20.0027 20.0098 20.0101 20.1790 20.1803 21.2112 21.2112 k = 0.0139 0.0080-0.0000 ( 769 PWs) bands (ev): -9.0481 -9.0481 -4.8535 -4.8535 0.4591 0.4591 9.3247 9.3248 9.3417 9.3417 11.2353 11.2359 11.4680 11.4688 11.4872 11.4874 19.9904 19.9926 20.0160 20.0162 20.1902 20.1925 21.2214 21.2215 k = 0.0208 0.0120-0.0000 ( 769 PWs) bands (ev): -9.0428 -9.0428 -4.8494 -4.8494 0.4644 0.4644 9.3002 9.3002 9.3299 9.3299 11.2297 11.2306 11.4484 11.4495 11.4801 11.4802 19.9741 19.9768 20.0272 20.0274 20.2071 20.2099 21.2386 21.2387 k = 0.0278 0.0160-0.0000 ( 767 PWs) bands (ev): -9.0354 -9.0354 -4.8436 -4.8436 0.4718 0.4718 9.2649 9.2650 9.3146 9.3146 11.2219 11.2232 11.4197 11.4213 11.4715 11.4716 19.9545 19.9575 20.0429 20.0431 20.2276 20.2309 21.2628 21.2629 k = 0.0347 0.0200-0.0000 ( 765 PWs) bands (ev): -9.0259 -9.0259 -4.8362 -4.8362 0.4813 0.4813 9.2195 9.2196 9.2955 9.2955 11.2118 11.2136 11.3827 11.3847 11.4610 11.4611 19.9326 19.9357 20.0631 20.0632 20.2507 20.2541 21.2940 21.2941 k = 0.0417 0.0241-0.0000 ( 765 PWs) bands (ev): -9.0142 -9.0142 -4.8272 -4.8272 0.4928 0.4929 9.1643 9.1644 9.2725 9.2725 11.1993 11.2019 11.3375 11.3403 11.4484 11.4485 19.9091 19.9121 20.0875 20.0876 20.2754 20.2789 21.3322 21.3323 k = 0.0486 0.0281-0.0000 ( 765 PWs) bands (ev): -9.0004 -9.0004 -4.8166 -4.8165 0.5065 0.5066 9.0997 9.0998 9.2458 9.2458 11.1841 11.1879 11.2847 11.2888 11.4337 11.4337 19.8841 19.8872 20.1161 20.1162 20.3013 20.3049 21.3772 21.3774 k = 0.0556 0.0321-0.0000 ( 765 PWs) bands (ev): -8.9845 -8.9845 -4.8044 -4.8043 0.5223 0.5224 9.0261 9.0262 9.2154 9.2154 11.1646 11.1715 11.2247 11.2319 11.4167 11.4168 19.8580 19.8610 20.1487 20.1488 20.3282 20.3318 21.4290 21.4292 k = 0.0625 0.0361-0.0000 ( 759 PWs) bands (ev): -8.9665 -8.9665 -4.7905 -4.7904 0.5402 0.5403 8.9439 8.9441 9.1815 9.1816 11.1329 11.1469 11.1638 11.1780 11.3976 11.3977 19.8308 19.8337 20.1852 20.1853 20.3558 20.3594 21.4874 21.4876 k = 0.0694 0.0401-0.0000 ( 759 PWs) bands (ev): -8.9465 -8.9465 -4.7751 -4.7750 0.5602 0.5603 8.8535 8.8537 9.1444 9.1444 11.0728 11.0796 11.1363 11.1433 11.3764 11.3765 19.8025 19.8053 20.2255 20.2255 20.3841 20.3876 21.5517 21.5520 k = 0.0764 0.0441-0.0000 ( 759 PWs) bands (ev): -8.9243 -8.9243 -4.7581 -4.7580 0.5822 0.5823 8.7552 8.7554 9.1041 9.1041 10.9953 10.9988 11.1136 11.1174 11.3530 11.3531 19.7732 19.7759 20.2693 20.2693 20.4131 20.4165 21.6216 21.6219 k = 0.0833 0.0481-0.0000 ( 763 PWs) bands (ev): -8.9000 -8.9000 -4.7395 -4.7394 0.6063 0.6065 8.6496 8.6498 9.0608 9.0608 10.9092 10.9113 11.0892 11.0916 11.3273 11.3273 19.7429 19.7455 20.3163 20.3164 20.4426 20.4459 21.6965 21.6967 k = 0.0903 0.0521-0.0000 ( 763 PWs) bands (ev): -8.8736 -8.8736 -4.7194 -4.7193 0.6325 0.6327 8.5371 8.5374 9.0148 9.0148 10.8163 10.8177 11.0629 11.0646 11.2998 11.2998 19.7117 19.7142 20.3666 20.3667 20.4727 20.4759 21.7755 21.7758 k = 0.0972 0.0561-0.0000 ( 765 PWs) bands (ev): -8.8451 -8.8451 -4.6977 -4.6976 0.6608 0.6610 8.4181 8.4183 8.9663 8.9664 10.7175 10.7184 11.0344 11.0357 11.2704 11.2704 19.6797 19.6821 20.4197 20.4198 20.5033 20.5064 21.8579 21.8582 k = 0.1042 0.0601-0.0000 ( 765 PWs) bands (ev): -8.8146 -8.8146 -4.6746 -4.6745 0.6911 0.6913 8.2931 8.2934 8.9156 8.9156 10.6131 10.6137 11.0040 11.0050 11.2390 11.2391 19.6469 19.6492 20.4754 20.4755 20.5344 20.5374 21.9425 21.9428 k = 0.1111 0.0642-0.0000 ( 765 PWs) bands (ev): -8.7820 -8.7820 -4.6500 -4.6498 0.7235 0.7237 8.1626 8.1629 8.8626 8.8626 10.5037 10.5040 10.9715 10.9723 11.2059 11.2059 19.6134 19.6157 20.5334 20.5336 20.5660 20.5688 22.0283 22.0286 k = 0.1181 0.0682-0.0000 ( 765 PWs) bands (ev): -8.7473 -8.7473 -4.6239 -4.6238 0.7579 0.7581 8.0267 8.0271 8.8078 8.8078 10.3895 10.3897 10.9371 10.9377 11.1712 11.1712 19.5793 19.5815 20.5921 20.5935 20.5995 20.6010 22.1138 22.1141 k = 0.1250 0.0722-0.0000 ( 765 PWs) bands (ev): -8.7106 -8.7105 -4.5964 -4.5963 0.7943 0.7946 7.8864 7.8868 8.7513 8.7513 10.2709 10.2709 10.9004 10.9009 11.1347 11.1347 19.5447 19.5468 20.6293 20.6325 20.6561 20.6564 22.1975 22.1977 k = 0.1319 0.0762-0.0000 ( 773 PWs) bands (ev): -8.6718 -8.6718 -4.5676 -4.5674 0.8328 0.8330 7.7417 7.7421 8.6931 8.6931 10.1479 10.1481 10.8616 10.8619 11.0966 11.0966 19.5096 19.5116 20.6617 20.6647 20.7196 20.7197 22.2774 22.2776 k = 0.1389 0.0802-0.0000 ( 773 PWs) bands (ev): -8.6310 -8.6310 -4.5373 -4.5372 0.8733 0.8735 7.5933 7.5937 8.6337 8.6337 10.0214 10.0216 10.8207 10.8209 11.0571 11.0571 19.4741 19.4760 20.6940 20.6969 20.7844 20.7845 22.3515 22.3518 k = 0.1458 0.0842-0.0000 ( 773 PWs) bands (ev): -8.5881 -8.5881 -4.5058 -4.5056 0.9157 0.9160 7.4414 7.4418 8.5732 8.5732 9.8914 9.8917 10.7777 10.7779 11.0163 11.0163 19.4382 19.4401 20.7262 20.7290 20.8502 20.8502 22.4179 22.4182 k = 0.1528 0.0882-0.0000 ( 775 PWs) bands (ev): -8.5433 -8.5433 -4.4729 -4.4727 0.9602 0.9604 7.2863 7.2867 8.5117 8.5117 9.7582 9.7586 10.7326 10.7327 10.9743 10.9743 19.4022 19.4040 20.7580 20.7607 20.9166 20.9166 22.4748 22.4751 k = 0.1597 0.0922-0.0000 ( 775 PWs) bands (ev): -8.4964 -8.4964 -4.4389 -4.4387 1.0066 1.0068 7.1285 7.1290 8.4495 8.4495 9.6221 9.6226 10.6854 10.6854 10.9311 10.9311 19.3659 19.3677 20.7892 20.7919 20.9833 20.9833 22.5212 22.5215 k = 0.1667 0.0962-0.0000 ( 775 PWs) bands (ev): -8.4475 -8.4475 -4.4036 -4.4034 1.0549 1.0552 6.9684 6.9688 8.3866 8.3866 9.4835 9.4840 10.6359 10.6360 10.8870 10.8870 19.3296 19.3313 20.8195 20.8222 21.0501 21.0501 22.5569 22.5573 k = 0.1736 0.1002-0.0000 ( 773 PWs) bands (ev): -8.3967 -8.3967 -4.3672 -4.3670 1.1052 1.1055 6.8062 6.8067 8.3232 8.3232 9.3424 9.3430 10.5844 10.5845 10.8421 10.8421 19.2932 19.2948 20.8488 20.8514 21.1167 21.1167 22.5825 22.5830 k = 0.1806 0.1042-0.0000 ( 769 PWs) bands (ev): -8.3439 -8.3438 -4.3297 -4.3295 1.1575 1.1578 6.6423 6.6428 8.2596 8.2596 9.1993 9.2000 10.5307 10.5308 10.7965 10.7965 19.2568 19.2584 20.8765 20.8791 21.1827 21.1827 22.5995 22.6000 k = 0.1875 0.1083-0.0000 ( 769 PWs) bands (ev): -8.2891 -8.2891 -4.2912 -4.2910 1.2116 1.2119 6.4771 6.4776 8.1957 8.1957 9.0543 9.0550 10.4749 10.4750 10.7501 10.7501 19.2205 19.2221 20.9023 20.9050 21.2479 21.2480 22.6094 22.6100 k = 0.1944 0.1123-0.0000 ( 769 PWs) bands (ev): -8.2324 -8.2324 -4.2517 -4.2515 1.2675 1.2679 6.3107 6.3113 8.1317 8.1317 8.9075 8.9083 10.4169 10.4171 10.7032 10.7032 19.1844 19.1859 20.9258 20.9284 21.3121 21.3121 22.6141 22.6148 k = 0.2014 0.1163-0.0000 ( 769 PWs) bands (ev): -8.1738 -8.1738 -4.2114 -4.2111 1.3254 1.3257 6.1436 6.1441 8.0678 8.0678 8.7593 8.7601 10.3567 10.3570 10.6559 10.6559 19.1484 19.1500 20.9465 20.9491 21.3750 21.3750 22.6153 22.6161 k = 0.2083 0.1203-0.0000 ( 771 PWs) bands (ev): -8.1133 -8.1133 -4.1702 -4.1700 1.3850 1.3854 5.9760 5.9765 8.0041 8.0042 8.6098 8.6107 10.2945 10.2947 10.6083 10.6083 19.1128 19.1142 20.9638 20.9664 21.4363 21.4364 22.6144 22.6152 k = 0.2153 0.1243-0.0000 ( 771 PWs) bands (ev): -8.0509 -8.0509 -4.1283 -4.1281 1.4465 1.4468 5.8081 5.8087 7.9408 7.9408 8.4594 8.4602 10.2301 10.2304 10.5605 10.5605 19.0774 19.0789 20.9772 20.9798 21.4960 21.4960 22.6129 22.6138 k = 0.2222 0.1283-0.0000 ( 771 PWs) bands (ev): -7.9867 -7.9867 -4.0858 -4.0855 1.5097 1.5101 5.6404 5.6409 7.8778 7.8778 8.3080 8.3089 10.1636 10.1639 10.5126 10.5126 19.0424 19.0439 20.9861 20.9887 21.5537 21.5537 22.6120 22.6129 k = 0.2292 0.1323-0.0000 ( 771 PWs) bands (ev): -7.9207 -7.9206 -4.0428 -4.0425 1.5746 1.5750 5.4730 5.4736 7.8154 7.8154 8.1560 8.1570 10.0951 10.0954 10.4647 10.4647 19.0079 19.0093 20.9899 20.9926 21.6093 21.6093 22.6128 22.6138 k = 0.2361 0.1363-0.0000 ( 771 PWs) bands (ev): -7.8528 -7.8528 -3.9993 -3.9990 1.6413 1.6417 5.3062 5.3068 7.7536 7.7536 8.0036 8.0045 10.0244 10.0247 10.4170 10.4170 18.9738 18.9752 20.9883 20.9909 21.6627 21.6627 22.6164 22.6173 k = 0.2431 0.1403-0.0000 ( 775 PWs) bands (ev): -7.7832 -7.7831 -3.9555 -3.9552 1.7096 1.7100 5.1402 5.1408 7.6925 7.6925 7.8507 7.8517 9.9517 9.9521 10.3694 10.3694 18.9403 18.9416 20.9809 20.9835 21.7137 21.7137 22.6234 22.6244 k = 0.2500 0.1443-0.0000 ( 775 PWs) bands (ev): -7.7118 -7.7118 -3.9116 -3.9113 1.7796 1.7799 4.9754 4.9761 7.6321 7.6321 7.6979 7.6988 9.8770 9.8774 10.3222 10.3222 18.9073 18.9086 20.9673 20.9699 21.7623 21.7623 22.6346 22.6356 k = 0.2569 0.1483-0.0000 ( 773 PWs) bands (ev): -7.6387 -7.6387 -3.8675 -3.8672 1.8511 1.8515 4.8123 4.8130 7.5443 7.5455 7.5731 7.5733 9.8002 9.8006 10.2753 10.2753 18.8749 18.8762 20.9476 20.9502 21.8084 21.8084 22.6504 22.6514 k = 0.2639 0.1524-0.0000 ( 773 PWs) bands (ev): -7.5639 -7.5639 -3.8236 -3.8233 1.9241 1.9245 4.6508 4.6514 7.3919 7.3930 7.5145 7.5145 9.7216 9.7220 10.2289 10.2289 18.8432 18.8445 20.9218 20.9244 21.8519 21.8519 22.6710 22.6721 k = 0.2708 0.1564-0.0000 ( 773 PWs) bands (ev): -7.4875 -7.4875 -3.7800 -3.7797 1.9986 1.9990 4.4912 4.4919 7.2395 7.2406 7.4571 7.4571 9.6411 9.6415 10.1831 10.1831 18.8122 18.8134 20.8902 20.8927 21.8928 21.8928 22.6967 22.6978 k = 0.2778 0.1604-0.0000 ( 773 PWs) bands (ev): -7.4095 -7.4094 -3.7368 -3.7365 2.0745 2.0749 4.3340 4.3347 7.0876 7.0888 7.4008 7.4008 9.5588 9.5592 10.1379 10.1379 18.7819 18.7831 20.8532 20.8556 21.9311 21.9311 22.7274 22.7285 k = 0.2847 0.1644-0.0000 ( 773 PWs) bands (ev): -7.3299 -7.3299 -3.6942 -3.6939 2.1517 2.1520 4.1794 4.1802 6.9363 6.9375 7.3456 7.3456 9.4747 9.4751 10.0935 10.0935 18.7524 18.7536 20.8112 20.8136 21.9668 21.9668 22.7628 22.7640 k = 0.2917 0.1684-0.0000 ( 773 PWs) bands (ev): -7.2488 -7.2488 -3.6525 -3.6522 2.2300 2.2304 4.0277 4.0286 6.7859 6.7871 7.2917 7.2918 9.3889 9.3893 10.0498 10.0498 18.7237 18.7249 20.7648 20.7672 22.0000 22.0000 22.8028 22.8040 k = 0.2986 0.1724-0.0000 ( 777 PWs) bands (ev): -7.1663 -7.1662 -3.6118 -3.6115 2.3095 2.3098 3.8794 3.8803 6.6363 6.6376 7.2391 7.2391 9.3014 9.3018 10.0070 10.0070 18.6958 18.6969 20.7147 20.7170 22.0306 22.0307 22.8470 22.8482 k = 0.3056 0.1764-0.0000 ( 775 PWs) bands (ev): -7.0823 -7.0823 -3.5724 -3.5721 2.3899 2.3901 3.7348 3.7358 6.4879 6.4893 7.1879 7.1879 9.2125 9.2129 9.9651 9.9651 18.6687 18.6699 20.6615 20.6637 22.0589 22.0589 22.8951 22.8964 k = 0.3125 0.1804-0.0000 ( 775 PWs) bands (ev): -6.9970 -6.9970 -3.5345 -3.5342 2.4709 2.4711 3.5944 3.5956 6.3409 6.3423 7.1380 7.1380 9.1221 9.1225 9.9241 9.9241 18.6426 18.6437 20.6057 20.6079 22.0847 22.0848 22.9468 22.9481 k = 0.3194 0.1844-0.0000 ( 777 PWs) bands (ev): -6.9105 -6.9104 -3.4984 -3.4981 2.5521 2.5521 3.4588 3.4602 6.1953 6.1968 7.0896 7.0896 9.0303 9.0308 9.8842 9.8842 18.6173 18.6184 20.5481 20.5502 22.1083 22.1083 23.0016 23.0030 k = 0.3264 0.1884-0.0000 ( 781 PWs) bands (ev): -6.8227 -6.8227 -3.4644 -3.4640 2.6325 2.6327 3.3291 3.3308 6.0514 6.0529 7.0426 7.0426 8.9373 8.9378 9.8454 9.8454 18.5930 18.5941 20.4891 20.4911 22.1297 22.1297 23.0592 23.0606 k = 0.3333 0.1925-0.0000 ( 785 PWs) bands (ev): -6.7338 -6.7338 -3.4327 -3.4323 2.7102 2.7109 3.2074 3.2096 5.9094 5.9110 6.9972 6.9972 8.8431 8.8436 9.8076 9.8076 18.5697 18.5707 20.4291 20.4312 22.1491 22.1491 23.1190 23.1206 k = 0.3403 0.1965-0.0000 ( 793 PWs) bands (ev): -6.6439 -6.6439 -3.4037 -3.4033 2.7789 2.7806 3.0998 3.1031 5.7693 5.7709 6.9534 6.9534 8.7481 8.7485 9.7711 9.7711 18.5473 18.5483 20.3690 20.3709 22.1665 22.1665 23.1805 23.1822 k = 0.3472 0.2005-0.0000 ( 789 PWs) bands (ev): -6.5531 -6.5530 -3.3775 -3.3772 2.8140 2.8172 3.0313 3.0362 5.6316 5.6334 6.9113 6.9113 8.6523 8.6527 9.7358 9.7358 18.5258 18.5268 20.3089 20.3108 22.1821 22.1821 23.2428 23.2447 k = 0.3542 0.2045-0.0000 ( 787 PWs) bands (ev): -6.4614 -6.4614 -3.3547 -3.3543 2.7746 2.7774 3.0453 3.0498 5.4965 5.4983 6.8708 6.8708 8.5558 8.5563 9.7019 9.7019 18.5054 18.5064 20.2494 20.2512 22.1960 22.1960 23.3036 23.3057 k = 0.3611 0.2085-0.0000 ( 787 PWs) bands (ev): -6.3691 -6.3690 -3.3354 -3.3350 2.6917 2.6935 3.1093 3.1129 5.3642 5.3661 6.8319 6.8319 8.4589 8.4594 9.6692 9.6692 18.4860 18.4870 20.1908 20.1925 22.2083 22.2083 23.3561 23.3581 k = 0.3681 0.2125-0.0000 ( 787 PWs) bands (ev): -6.2762 -6.2761 -3.3198 -3.3195 2.6011 2.6023 3.1868 3.1899 5.2350 5.2371 6.7948 6.7948 8.3618 8.3622 9.6380 9.6380 18.4676 18.4685 20.1334 20.1351 22.2191 22.2191 23.3823 23.3833 k = 0.3750 0.2165-0.0000 ( 791 PWs) bands (ev): -6.1829 -6.1828 -3.3084 -3.3080 2.5125 2.5133 3.2680 3.2710 5.1094 5.1116 6.7593 6.7593 8.2646 8.2651 9.6081 9.6081 18.4502 18.4511 20.0775 20.0791 22.2286 22.2286 23.3763 23.3766 k = 0.3819 0.2205-0.0000 ( 790 PWs) bands (ev): -6.0893 -6.0893 -3.3013 -3.3009 2.4287 2.4293 3.3501 3.3531 4.9878 4.9902 6.7257 6.7257 8.1678 8.1682 9.5796 9.5796 18.4338 18.4347 20.0234 20.0249 22.2368 22.2368 23.3571 23.3580 k = 0.3889 0.2245-0.0000 ( 790 PWs) bands (ev): -5.9958 -5.9957 -3.2986 -3.2983 2.3510 2.3515 3.4315 3.4346 4.8708 4.8735 6.6938 6.6938 8.0714 8.0718 9.5526 9.5526 18.4185 18.4193 19.9713 19.9728 22.2440 22.2440 23.3352 23.3363 k = 0.3958 0.2285-0.0000 ( 790 PWs) bands (ev): -5.9025 -5.9024 -3.3006 -3.3002 2.2799 2.2803 3.5111 3.5144 4.7592 4.7622 6.6638 6.6638 7.9759 7.9763 9.5272 9.5272 18.4042 18.4049 19.9215 19.9229 22.2501 22.2501 23.3132 23.3143 k = 0.4028 0.2325-0.0000 ( 794 PWs) bands (ev): -5.8096 -5.8095 -3.3072 -3.3069 2.2157 2.2160 3.5874 3.5910 4.6542 4.6575 6.6355 6.6355 7.8816 7.8820 9.5032 9.5032 18.3908 18.3915 19.8741 19.8754 22.2553 22.2553 23.2920 23.2931 k = 0.4097 0.2366-0.0000 ( 792 PWs) bands (ev): -5.7176 -5.7175 -3.3185 -3.3182 2.1585 2.1588 3.6587 3.6627 4.5573 4.5611 6.6092 6.6092 7.7889 7.7894 9.4808 9.4808 18.3785 18.3792 19.8293 19.8305 22.2597 22.2597 23.2719 23.2730 k = 0.4167 0.2406-0.0000 ( 792 PWs) bands (ev): -5.6267 -5.6266 -3.3343 -3.3339 2.1083 2.1085 3.7223 3.7267 4.4713 4.4756 6.5848 6.5848 7.6984 7.6988 9.4599 9.4599 18.3671 18.3678 19.7873 19.7884 22.2634 22.2634 23.2532 23.2542 k = 0.4236 0.2446-0.0000 ( 792 PWs) bands (ev): -5.5373 -5.5373 -3.3543 -3.3540 2.0649 2.0651 3.7740 3.7790 4.4002 4.4050 6.5623 6.5623 7.6104 7.6108 9.4407 9.4407 18.3568 18.3574 19.7481 19.7492 22.2665 22.2665 23.2359 23.2369 k = 0.4306 0.2486-0.0000 ( 792 PWs) bands (ev): -5.4501 -5.4501 -3.3782 -3.3780 2.0281 2.0283 3.8084 3.8137 4.3495 4.3547 6.5416 6.5416 7.5257 7.5261 9.4230 9.4230 18.3474 18.3480 19.7120 19.7129 22.2690 22.2690 23.2201 23.2210 k = 0.4375 0.2526-0.0000 ( 788 PWs) bands (ev): -5.3657 -5.3656 -3.4055 -3.4053 1.9975 1.9977 3.8203 3.8255 4.3248 4.3300 6.5229 6.5229 7.4449 7.4453 9.4070 9.4070 18.3390 18.3395 19.6790 19.6799 22.2711 22.2711 23.2059 23.2067 k = 0.4444 0.2566-0.0000 ( 784 PWs) bands (ev): -5.2847 -5.2846 -3.4355 -3.4353 1.9726 1.9728 3.8090 3.8137 4.3262 4.3309 6.5062 6.5062 7.3688 7.3692 9.3927 9.3927 18.3316 18.3320 19.6493 19.6501 22.2728 22.2728 23.1931 23.1938 k = 0.4514 0.2606-0.0000 ( 784 PWs) bands (ev): -5.2080 -5.2079 -3.4673 -3.4670 1.9529 1.9531 3.7808 3.7846 4.3472 4.3511 6.4913 6.4914 7.2982 7.2985 9.3800 9.3800 18.3250 18.3254 19.6228 19.6235 22.2741 22.2741 23.1818 23.1824 k = 0.4583 0.2646-0.0000 ( 784 PWs) bands (ev): -5.1369 -5.1368 -3.4997 -3.4995 1.9378 1.9379 3.7441 3.7471 4.3789 4.3819 6.4785 6.4785 7.2340 7.2343 9.3690 9.3690 18.3194 18.3198 19.5998 19.6004 22.2752 22.2752 23.1720 23.1726 k = 0.4653 0.2686-0.0000 ( 784 PWs) bands (ev): -5.0724 -5.0724 -3.5315 -3.5313 1.9266 1.9267 3.7058 3.7080 4.4138 4.4161 6.4676 6.4676 7.1773 7.1775 9.3596 9.3596 18.3147 18.3150 19.5801 19.5806 22.2760 22.2760 23.1638 23.1642 k = 0.4722 0.2726-0.0000 ( 776 PWs) bands (ev): -5.0163 -5.0162 -3.5610 -3.5609 1.9186 1.9187 3.6703 3.6720 4.4474 4.4491 6.4587 6.4587 7.1291 7.1293 9.3521 9.3521 18.3108 18.3111 19.5642 19.5646 22.2766 22.2766 23.1571 23.1575 k = 0.4792 0.2766-0.0000 ( 776 PWs) bands (ev): -4.9700 -4.9699 -3.5866 -3.5865 1.9132 1.9133 3.6404 3.6416 4.4762 4.4774 6.4518 6.4518 7.0903 7.0904 9.3461 9.3461 18.3079 18.3080 19.5516 19.5519 22.2771 22.2771 23.1519 23.1521 k = 0.4861 0.2807-0.0000 ( 782 PWs) bands (ev): -4.9354 -4.9353 -3.6066 -3.6065 1.9097 1.9098 3.6180 3.6188 4.4982 4.4990 6.4468 6.4468 7.0617 7.0618 9.3418 9.3418 18.3057 18.3059 19.5426 19.5428 22.2773 22.2773 23.1481 23.1483 k = 0.4931 0.2847-0.0000 ( 782 PWs) bands (ev): -4.9138 -4.9138 -3.6193 -3.6192 1.9079 1.9079 3.6042 3.6046 4.5120 4.5124 6.4438 6.4438 7.0443 7.0444 9.3392 9.3392 18.3045 18.3046 19.5372 19.5373 22.2775 22.2775 23.1459 23.1460 k = 0.5000 0.2887-0.0000 ( 778 PWs) bands (ev): -4.9065 -4.9065 -3.6236 -3.6236 1.9074 1.9074 3.5998 3.5998 4.5169 4.5169 6.4428 6.4428 7.0385 7.0385 9.3384 9.3384 18.3041 18.3041 19.5355 19.5355 22.2776 22.2776 23.1452 23.1452 k = 0.5000 0.2887-0.0000 ( 778 PWs) bands (ev): -4.9065 -4.9065 -3.6236 -3.6236 1.9074 1.9074 3.5998 3.5998 4.5169 4.5169 6.4428 6.4428 7.0385 7.0385 9.3384 9.3384 18.3041 18.3041 19.5355 19.5355 22.2776 22.2776 23.1452 23.1452 k = 0.4960 0.2955-0.0000 ( 778 PWs) bands (ev): -4.9057 -4.9057 -3.6232 -3.6232 1.9080 1.9080 3.6006 3.6006 4.5177 4.5178 6.4381 6.4381 7.0382 7.0383 9.3340 9.3342 18.3114 18.3114 19.5304 19.5312 22.2730 22.2741 23.1581 23.1581 k = 0.4921 0.3024-0.0000 ( 782 PWs) bands (ev): -4.9033 -4.9033 -3.6218 -3.6218 1.9099 1.9099 3.6030 3.6030 4.5203 4.5203 6.4239 6.4239 7.0373 7.0375 9.3211 9.3215 18.3332 18.3333 19.5161 19.5176 22.2620 22.2639 23.1953 23.1954 k = 0.4881 0.3093-0.0000 ( 776 PWs) bands (ev): -4.8992 -4.8992 -3.6194 -3.6194 1.9131 1.9132 3.6070 3.6071 4.5247 4.5247 6.4005 6.4006 7.0358 7.0362 9.2999 9.3005 18.3695 18.3696 19.4924 19.4946 22.2481 22.2509 23.2532 23.2535 k = 0.4841 0.3162-0.0000 ( 780 PWs) bands (ev): -4.8935 -4.8935 -3.6162 -3.6162 1.9176 1.9177 3.6127 3.6127 4.5308 4.5308 6.3680 6.3681 7.0337 7.0342 9.2702 9.2710 18.4200 18.4200 19.4593 19.4620 22.2356 22.2390 23.3266 23.3272 k = 0.4802 0.3230-0.0000 ( 776 PWs) bands (ev): -4.8862 -4.8862 -3.6121 -3.6121 1.9234 1.9235 3.6200 3.6201 4.5387 4.5387 6.3267 6.3269 7.0312 7.0318 9.2325 9.2335 18.4843 18.4844 19.4167 19.4199 22.2286 22.2324 23.4115 23.4125 k = 0.4762 0.3299-0.0000 ( 780 PWs) bands (ev): -4.8773 -4.8773 -3.6071 -3.6071 1.9304 1.9305 3.6289 3.6289 4.5482 4.5483 6.2772 6.2773 7.0277 7.0285 9.1870 9.1882 18.5621 18.5622 19.3646 19.3683 22.2297 22.2338 23.5039 23.5053 k = 0.4722 0.3368-0.0000 ( 780 PWs) bands (ev): -4.8668 -4.8668 -3.6012 -3.6012 1.9385 1.9387 3.6394 3.6394 4.5595 4.5596 6.2197 6.2199 7.0237 7.0246 9.1339 9.1353 18.6531 18.6531 19.3035 19.3076 22.2410 22.2453 23.6007 23.6026 k = 0.4683 0.3437-0.0000 ( 779 PWs) bands (ev): -4.8547 -4.8547 -3.5946 -3.5946 1.9479 1.9480 3.6514 3.6515 4.5726 4.5726 6.1549 6.1552 7.0189 7.0199 9.0737 9.0753 18.7567 18.7568 19.2339 19.2382 22.2637 22.2680 23.6992 23.7015 k = 0.4643 0.3505-0.0000 ( 779 PWs) bands (ev): -4.8411 -4.8410 -3.5872 -3.5872 1.9584 1.9585 3.6650 3.6651 4.5874 4.5874 6.0833 6.0836 7.0133 7.0145 9.0067 9.0085 18.8723 18.8724 19.1564 19.1608 22.2980 22.3024 23.7971 23.7999 k = 0.4603 0.3574-0.0000 ( 781 PWs) bands (ev): -4.8258 -4.8258 -3.5791 -3.5791 1.9699 1.9701 3.6802 3.6803 4.6039 4.6040 6.0055 6.0058 7.0069 7.0082 8.9333 8.9353 18.9994 18.9995 19.0718 19.0763 22.3440 22.3483 23.8926 23.8958 k = 0.4563 0.3643-0.0000 ( 783 PWs) bands (ev): -4.8090 -4.8090 -3.5704 -3.5703 1.9824 1.9826 3.6969 3.6970 4.6222 4.6222 5.9220 5.9224 6.9995 7.0009 8.8539 8.8562 18.9810 18.9855 19.1374 19.1375 22.4012 22.4053 23.9846 23.9881 k = 0.4524 0.3712-0.0000 ( 779 PWs) bands (ev): -4.7907 -4.7906 -3.5610 -3.5610 1.9959 1.9961 3.7150 3.7151 4.6422 4.6423 5.8339 5.8343 6.9911 6.9927 8.7691 8.7715 18.8851 18.8895 19.2858 19.2859 22.4688 22.4727 24.0720 24.0757 k = 0.4484 0.3780-0.0000 ( 779 PWs) bands (ev): -4.7708 -4.7707 -3.5512 -3.5512 2.0103 2.0105 3.7346 3.7348 4.6639 4.6640 5.7415 5.7419 6.9815 6.9833 8.6793 8.6819 18.7850 18.7893 19.4439 19.4441 22.5458 22.5494 24.1549 24.1587 k = 0.4444 0.3849-0.0000 ( 775 PWs) bands (ev): -4.7494 -4.7493 -3.5409 -3.5409 2.0254 2.0256 3.7557 3.7558 4.6874 4.6874 5.6456 5.6461 6.9707 6.9727 8.5848 8.5877 18.6816 18.6858 19.6112 19.6114 22.6312 22.6346 24.2335 24.2373 k = 0.4405 0.3918-0.0000 ( 779 PWs) bands (ev): -4.7265 -4.7264 -3.5303 -3.5302 2.0412 2.0414 3.7781 3.7783 4.7125 4.7125 5.5467 5.5472 6.9586 6.9608 8.4862 8.4893 18.5759 18.5800 19.7870 19.7871 22.7239 22.7271 24.3085 24.3122 k = 0.4365 0.3986-0.0000 ( 779 PWs) bands (ev): -4.7021 -4.7021 -3.5194 -3.5194 2.0575 2.0577 3.8018 3.8020 4.7393 4.7394 5.4459 5.4464 6.9451 6.9475 8.3841 8.3874 18.4688 18.4726 19.9707 19.9709 22.8227 22.8257 24.3811 24.3845 k = 0.4325 0.4055-0.0000 ( 779 PWs) bands (ev): -4.6763 -4.6763 -3.5084 -3.5084 2.0742 2.0744 3.8268 3.8270 4.7678 4.7679 5.3436 5.3443 6.9299 6.9325 8.2789 8.2823 18.3609 18.3646 20.1618 20.1620 22.9265 22.9292 24.4523 24.4555 k = 0.4286 0.4124-0.0000 ( 779 PWs) bands (ev): -4.6491 -4.6490 -3.4974 -3.4973 2.0912 2.0914 3.8531 3.8533 4.7979 4.7981 5.2407 5.2415 6.9130 6.9159 8.1710 8.1747 18.2530 18.2565 20.3597 20.3599 23.0341 23.0365 24.5234 24.5262 k = 0.4246 0.4193-0.0000 ( 783 PWs) bands (ev): -4.6204 -4.6204 -3.4864 -3.4864 2.1081 2.1084 3.8804 3.8806 4.8294 4.8298 5.1380 5.1391 6.8942 6.8974 8.0610 8.0650 18.1457 18.1490 20.5638 20.5640 23.1442 23.1465 24.5953 24.5978 k = 0.4206 0.4261-0.0000 ( 781 PWs) bands (ev): -4.5904 -4.5904 -3.4757 -3.4756 2.1250 2.1253 3.9088 3.9091 4.8617 4.8628 5.0366 5.0383 6.8733 6.8768 7.9495 7.9538 18.0397 18.0429 20.7737 20.7739 23.2557 23.2579 24.6691 24.6713 k = 0.4167 0.4330-0.0000 ( 781 PWs) bands (ev): -4.5591 -4.5590 -3.4654 -3.4653 2.1415 2.1418 3.9382 3.9385 4.8881 4.8924 4.9418 4.9467 6.8502 6.8540 7.8369 7.8415 17.9355 17.9385 20.9887 20.9889 23.3676 23.3696 24.7456 24.7474 k = 0.4127 0.4399-0.0000 ( 777 PWs) bands (ev): -4.5265 -4.5264 -3.4556 -3.4555 2.1574 2.1577 3.9684 3.9687 4.8305 4.8325 4.9404 4.9431 6.8246 6.8288 7.7238 7.7288 17.8336 17.8363 21.2083 21.2085 23.4790 23.4808 24.8258 24.8272 k = 0.4087 0.4468-0.0000 ( 777 PWs) bands (ev): -4.4926 -4.4925 -3.4465 -3.4464 2.1724 2.1727 3.9994 3.9996 4.7380 4.7387 4.9776 4.9790 6.7961 6.8007 7.6109 7.6163 17.7344 17.7369 21.4320 21.4323 23.5883 23.5901 24.9099 24.9108 k = 0.4048 0.4536-0.0000 ( 777 PWs) bands (ev): -4.4574 -4.4574 -3.4383 -3.4382 2.1862 2.1865 4.0308 4.0311 4.6472 4.6476 5.0177 5.0188 6.7645 6.7696 7.4988 7.5046 17.6382 17.6406 21.6594 21.6597 23.6950 23.6968 24.9984 24.9990 k = 0.4008 0.4605-0.0000 ( 777 PWs) bands (ev): -4.4211 -4.4211 -3.4312 -3.4311 2.1986 2.1988 4.0627 4.0629 4.5606 4.5608 5.0597 5.0606 6.7295 6.7351 7.3883 7.3946 17.5456 17.5478 21.8899 21.8902 23.7985 23.8003 25.0917 25.0918 k = 0.3968 0.4674-0.0000 ( 777 PWs) bands (ev): -4.3837 -4.3836 -3.4253 -3.4252 2.2091 2.2093 4.0946 4.0949 4.4791 4.4792 5.1035 5.1043 6.6907 6.6968 7.2801 7.2869 17.4567 17.4588 22.1230 22.1233 23.8982 23.9000 25.1894 25.1897 k = 0.3929 0.4743-0.0000 ( 777 PWs) bands (ev): -4.3452 -4.3451 -3.4209 -3.4208 2.2175 2.2177 4.1264 4.1267 4.4037 4.4037 5.1489 5.1497 6.6476 6.6542 7.1753 7.1826 17.3720 17.3739 22.3581 22.3584 23.9939 23.9957 25.2913 25.2921 k = 0.3889 0.4811-0.0000 ( 779 PWs) bands (ev): -4.3056 -4.3055 -3.4183 -3.4181 2.2234 2.2237 4.1578 4.1581 4.3350 4.3350 5.1961 5.1968 6.5997 6.6069 7.0746 7.0823 17.2917 17.2934 22.5948 22.5952 24.0854 24.0872 25.3974 25.3986 k = 0.3849 0.4880-0.0000 ( 783 PWs) bands (ev): -4.2651 -4.2650 -3.4175 -3.4174 2.2268 2.2270 4.1883 4.1886 4.2738 4.2739 5.2449 5.2456 6.5469 6.5544 6.9788 6.9869 17.2160 17.2175 22.8326 22.8330 24.1730 24.1748 25.5067 25.5083 k = 0.3810 0.4949-0.0000 ( 783 PWs) bands (ev): -4.2236 -4.2236 -3.4190 -3.4188 2.2273 2.2276 4.2160 4.2160 4.2222 4.2227 5.2954 5.2960 6.4893 6.4970 6.8889 6.8971 17.1452 17.1466 23.0709 23.0714 24.2568 24.2587 25.6188 25.6207 k = 0.3770 0.5017-0.0000 ( 783 PWs) bands (ev): -4.1814 -4.1813 -3.4228 -3.4227 2.2251 2.2253 4.1757 4.1757 4.2454 4.2458 5.3474 5.3481 6.4274 6.4351 6.8047 6.8129 17.0795 17.0808 23.3091 23.3096 24.3373 24.3392 25.7235 25.7280 k = 0.3730 0.5086-0.0000 ( 783 PWs) bands (ev): -4.1383 -4.1382 -3.4293 -3.4291 2.2202 2.2204 4.1398 4.1398 4.2705 4.2708 5.4011 5.4018 6.3624 6.3699 6.7260 6.7339 17.0190 17.0202 23.5465 23.5472 24.4148 24.4167 25.6830 25.6872 k = 0.3690 0.5155-0.0000 ( 787 PWs) bands (ev): -4.0945 -4.0944 -3.4386 -3.4385 2.2128 2.2130 4.1126 4.1126 4.2925 4.2928 5.4564 5.4570 6.2961 6.3032 6.6517 6.6592 16.9640 16.9650 23.7825 23.7832 24.4897 24.4916 25.6395 25.6439 k = 0.3651 0.5224-0.0000 ( 787 PWs) bands (ev): -4.0502 -4.0500 -3.4511 -3.4510 2.2034 2.2035 4.0944 4.0944 4.3106 4.3109 5.5132 5.5138 6.2307 6.2373 6.5806 6.5875 16.9145 16.9153 24.0162 24.0171 24.5624 24.5643 25.5933 25.5980 k = 0.3611 0.5292-0.0000 ( 789 PWs) bands (ev): -4.0052 -4.0051 -3.4669 -3.4667 2.1924 2.1926 4.0848 4.0848 4.3239 4.3242 5.5717 5.5722 6.1685 6.1744 6.5115 6.5178 16.8706 16.8713 24.2466 24.2478 24.6333 24.6351 25.5448 25.5497 k = 0.3571 0.5361-0.0000 ( 789 PWs) bands (ev): -3.9599 -3.9598 -3.4862 -3.4860 2.1806 2.1807 4.0835 4.0835 4.3314 4.3317 5.6316 5.6322 6.1115 6.1168 6.4433 6.4490 16.8325 16.8331 24.4723 24.4739 24.7027 24.7045 25.4940 25.4993 k = 0.3532 0.5430-0.0000 ( 789 PWs) bands (ev): -3.9142 -3.9141 -3.5092 -3.5090 2.1687 2.1688 4.0901 4.0901 4.3324 4.3327 5.6931 5.6937 6.0617 6.0664 6.3752 6.3802 16.8002 16.8007 24.6910 24.6932 24.7708 24.7726 25.4414 25.4475 k = 0.3492 0.5499-0.0000 ( 789 PWs) bands (ev): -3.8683 -3.8681 -3.5361 -3.5359 2.1573 2.1574 4.1040 4.1040 4.3261 4.3263 5.7561 5.7566 6.0207 6.0248 6.3064 6.3109 16.7738 16.7742 24.8380 24.8396 24.8984 24.9018 25.3889 25.3961 k = 0.3452 0.5567-0.0000 ( 789 PWs) bands (ev): -3.8222 -3.8221 -3.5670 -3.5668 2.1473 2.1474 4.1247 4.1247 4.3119 4.3121 5.8205 5.8211 5.9896 5.9932 6.2367 6.2406 16.7533 16.7536 24.9044 24.9059 25.0811 25.0871 25.3443 25.3539 k = 0.3413 0.5636-0.0000 ( 789 PWs) bands (ev): -3.7762 -3.7760 -3.6020 -3.6018 2.1394 2.1395 4.1517 4.1518 4.2898 4.2899 5.8864 5.8869 5.9692 5.9721 6.1657 6.1691 16.7387 16.7389 24.9701 24.9715 25.1810 25.1874 25.3598 25.3693 k = 0.3373 0.5705-0.0000 ( 793 PWs) bands (ev): -3.7302 -3.7301 -3.6411 -3.6410 2.1343 2.1343 4.1844 4.1845 4.2599 4.2599 5.9527 5.9529 5.9604 5.9621 6.0937 6.0963 16.7299 16.7300 25.0353 25.0366 25.1588 25.1598 25.4557 25.4590 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): -3.6849 -3.6845 -3.6843 -3.6842 2.1324 2.1324 4.2195 4.2196 4.2255 4.2256 5.9583 5.9583 6.0219 6.0229 6.0230 6.0232 16.7270 16.7270 25.0994 25.1004 25.1006 25.1016 25.5007 25.5007 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): -3.6849 -3.6845 -3.6843 -3.6842 2.1324 2.1324 4.2195 4.2196 4.2255 4.2256 5.9583 5.9583 6.0219 6.0229 6.0230 6.0232 16.7270 16.7270 25.0994 25.1004 25.1006 25.1016 25.5007 25.5007 k = 0.3293 0.5704-0.0000 ( 793 PWs) bands (ev): -3.7328 -3.7326 -3.6387 -3.6385 2.1345 2.1345 4.1784 4.1785 4.2660 4.2661 5.9302 5.9359 5.9795 5.9847 6.0935 6.0940 16.7299 16.7300 25.0310 25.0331 25.1651 25.1660 25.4616 25.4633 k = 0.3253 0.5634-0.0000 ( 793 PWs) bands (ev): -3.7853 -3.7851 -3.5934 -3.5933 2.1409 2.1409 4.1291 4.1293 4.3138 4.3138 5.8564 5.8604 5.9967 6.0002 6.1658 6.1663 16.7388 16.7389 24.9570 24.9597 25.2296 25.2302 25.3731 25.3755 k = 0.3213 0.5565-0.0000 ( 793 PWs) bands (ev): -3.8420 -3.8418 -3.5489 -3.5487 2.1520 2.1521 4.0758 4.0759 4.3657 4.3657 5.7762 5.7797 6.0259 6.0287 6.2395 6.2399 16.7534 16.7537 24.8790 24.8820 25.2614 25.2641 25.2943 25.2944 k = 0.3173 0.5495-0.0000 ( 793 PWs) bands (ev): -3.9028 -3.9026 -3.5052 -3.5050 2.1682 2.1682 4.0196 4.0197 4.4213 4.4213 5.6936 5.6966 6.0633 6.0657 6.3144 6.3149 16.7739 16.7742 24.7968 24.8001 25.1411 25.1442 25.3557 25.3562 k = 0.3133 0.5426-0.0000 ( 793 PWs) bands (ev): -3.9676 -3.9674 -3.4626 -3.4624 2.1895 2.1895 3.9617 3.9619 4.4804 4.4804 5.6089 5.6116 6.1075 6.1097 6.3907 6.3911 16.7999 16.8003 24.7098 24.7133 25.0168 25.0200 25.4139 25.4155 k = 0.3092 0.5356-0.0000 ( 789 PWs) bands (ev): -4.0362 -4.0360 -3.4213 -3.4211 2.2161 2.2162 3.9034 3.9035 4.5426 4.5426 5.5224 5.5249 6.1579 6.1598 6.4682 6.4686 16.8315 16.8320 24.6172 24.6206 24.8928 24.8960 25.4621 25.4658 k = 0.3052 0.5287-0.0000 ( 789 PWs) bands (ev): -4.1084 -4.1082 -3.3814 -3.3811 2.2481 2.2482 3.8454 3.8456 4.6078 4.6078 5.4343 5.4366 6.2134 6.2151 6.5469 6.5473 16.8685 16.8691 24.5175 24.5206 24.7722 24.7751 25.4774 25.4834 k = 0.3012 0.5217-0.0000 ( 785 PWs) bands (ev): -4.1839 -4.1838 -3.3430 -3.3428 2.2855 2.2855 3.7888 3.7890 4.6757 4.6757 5.3446 5.3467 6.2735 6.2751 6.6267 6.6271 16.9109 16.9114 24.4095 24.4120 24.6574 24.6597 25.4377 25.4422 k = 0.2972 0.5147-0.0000 ( 785 PWs) bands (ev): -4.2627 -4.2625 -3.3066 -3.3063 2.3282 2.3283 3.7342 3.7343 4.7461 4.7461 5.2534 5.2554 6.3377 6.3391 6.7076 6.7080 16.9583 16.9589 24.2930 24.2949 24.5493 24.5510 25.3691 25.3720 k = 0.2932 0.5078-0.0000 ( 781 PWs) bands (ev): -4.3444 -4.3442 -3.2721 -3.2718 2.3762 2.3763 3.6823 3.6824 4.8189 4.8189 5.1610 5.1628 6.4054 6.4068 6.7896 6.7899 17.0107 17.0114 24.1692 24.1703 24.4475 24.4484 25.2916 25.2936 k = 0.2892 0.5008-0.0000 ( 785 PWs) bands (ev): -4.4288 -4.4287 -3.2398 -3.2396 2.4293 2.4294 3.6337 3.6338 4.8938 4.8938 5.0673 5.0690 6.4763 6.4776 6.8725 6.8728 17.0679 17.0687 24.0399 24.0403 24.3503 24.3506 25.2107 25.2121 k = 0.2851 0.4939-0.0000 ( 785 PWs) bands (ev): -4.5156 -4.5155 -3.2100 -3.2097 2.4875 2.4876 3.5889 3.5890 4.9692 4.9695 4.9742 4.9756 6.5501 6.5513 6.9564 6.9567 17.1299 17.1306 23.9069 23.9070 24.2562 24.2565 25.1284 25.1294 k = 0.2811 0.4869-0.0000 ( 785 PWs) bands (ev): -4.6047 -4.6045 -3.1827 -3.1824 2.5507 2.5507 3.5485 3.5486 4.8768 4.8783 5.0500 5.0501 6.6265 6.6276 7.0412 7.0415 17.1963 17.1971 23.7716 23.7720 24.1641 24.1648 25.0454 25.0461 k = 0.2771 0.4800-0.0000 ( 781 PWs) bands (ev): -4.6957 -4.6955 -3.1581 -3.1578 2.6185 2.6186 3.5128 3.5128 4.7803 4.7817 5.1310 5.1310 6.7053 6.7064 7.1268 7.1271 17.2671 17.2680 23.6353 23.6361 24.0736 24.0746 24.9623 24.9628 k = 0.2731 0.4730-0.0000 ( 781 PWs) bands (ev): -4.7884 -4.7883 -3.1365 -3.1362 2.6910 2.6911 3.4822 3.4822 4.6831 4.6844 5.2136 5.2137 6.7861 6.7871 7.2132 7.2135 17.3420 17.3429 23.4989 23.4999 23.9842 23.9855 24.8793 24.8796 k = 0.2691 0.4661-0.0000 ( 781 PWs) bands (ev): -4.8826 -4.8825 -3.1179 -3.1176 2.7680 2.7680 3.4570 3.4570 4.5853 4.5866 5.2980 5.2981 6.8689 6.8698 7.3003 7.3006 17.4209 17.4218 23.3629 23.3641 23.8957 23.8971 24.7967 24.7968 k = 0.2651 0.4591-0.0000 ( 781 PWs) bands (ev): -4.9781 -4.9780 -3.1025 -3.1022 2.8492 2.8492 3.4375 3.4375 4.4870 4.4883 5.3840 5.3841 6.9534 6.9543 7.3881 7.3883 17.5035 17.5045 23.2276 23.2290 23.8078 23.8095 24.7146 24.7147 k = 0.2610 0.4521-0.0000 ( 785 PWs) bands (ev): -5.0747 -5.0746 -3.0904 -3.0901 2.9345 2.9345 3.4238 3.4239 4.3884 4.3896 5.4715 5.4716 7.0395 7.0403 7.4763 7.4765 17.5898 17.5908 23.0934 23.0949 23.7203 23.7221 24.6332 24.6333 k = 0.2570 0.4452-0.0000 ( 781 PWs) bands (ev): -5.1721 -5.1720 -3.0817 -3.0813 3.0238 3.0238 3.4164 3.4164 4.2896 4.2907 5.5605 5.5607 7.1271 7.1280 7.5652 7.5653 17.6794 17.6804 22.9606 22.9622 23.6338 23.6357 24.5526 24.5529 k = 0.2530 0.4382-0.0000 ( 781 PWs) bands (ev): -5.2701 -5.2701 -3.0764 -3.0761 3.1168 3.1168 3.4151 3.4152 4.1906 4.1917 5.6508 5.6510 7.2161 7.2168 7.6544 7.6546 17.7722 17.7732 22.8293 22.8310 23.5478 23.5498 24.4731 24.4734 k = 0.2490 0.4313-0.0000 ( 781 PWs) bands (ev): -5.3687 -5.3686 -3.0746 -3.0743 3.2135 3.2135 3.4203 3.4203 4.0917 4.0927 5.7424 5.7426 7.3062 7.3069 7.7442 7.7443 17.8679 17.8689 22.6996 22.7014 23.4626 23.4647 24.3946 24.3950 k = 0.2450 0.4243-0.0000 ( 781 PWs) bands (ev): -5.4676 -5.4675 -3.0763 -3.0760 3.3136 3.3136 3.4318 3.4319 3.9928 3.9938 5.8352 5.8355 7.3975 7.3982 7.8341 7.8342 17.9663 17.9674 22.5718 22.5736 23.3780 23.3802 24.3173 24.3179 k = 0.2410 0.4174-0.0000 ( 785 PWs) bands (ev): -5.5666 -5.5665 -3.0815 -3.0811 3.4170 3.4170 3.4499 3.4500 3.8940 3.8950 5.9293 5.9296 7.4897 7.4904 7.9242 7.9243 18.0672 18.0683 22.4459 22.4478 23.2940 23.2962 24.2415 24.2421 k = 0.2369 0.4104-0.0000 ( 785 PWs) bands (ev): -5.6657 -5.6656 -3.0901 -3.0897 3.4743 3.4745 3.5236 3.5236 3.7957 3.7966 6.0245 6.0249 7.5829 7.5836 8.0144 8.0145 18.1703 18.1714 22.3221 22.3240 23.2108 23.2131 24.1670 24.1677 k = 0.2329 0.4034-0.0000 ( 783 PWs) bands (ev): -5.7645 -5.7645 -3.1021 -3.1017 3.5053 3.5054 3.6331 3.6332 3.6977 3.6986 6.1208 6.1212 7.6770 7.6776 8.1048 8.1049 18.2754 18.2765 22.2004 22.2024 23.1284 23.1308 24.0941 24.0949 k = 0.2289 0.3965-0.0000 ( 787 PWs) bands (ev): -5.8631 -5.8631 -3.1173 -3.1169 3.5426 3.5426 3.6002 3.6012 3.7455 3.7456 6.2181 6.2186 7.7717 7.7724 8.1951 8.1951 18.3822 18.3833 22.0810 22.0829 23.0468 23.0492 24.0229 24.0238 k = 0.2249 0.3895-0.0000 ( 783 PWs) bands (ev): -5.9613 -5.9613 -3.1357 -3.1353 3.5032 3.5039 3.5863 3.5866 3.8607 3.8608 6.3165 6.3169 7.8672 7.8678 8.2854 8.2854 18.4905 18.4916 21.9639 21.9659 22.9662 22.9687 23.9535 23.9544 k = 0.2209 0.3826-0.0000 ( 785 PWs) bands (ev): -6.0590 -6.0590 -3.1571 -3.1567 3.4069 3.4077 3.6361 3.6363 3.9783 3.9785 6.4157 6.4162 7.9631 7.9637 8.3753 8.3753 18.5998 18.6009 21.8492 21.8512 22.8863 22.8888 23.8860 23.8870 k = 0.2169 0.3756-0.0000 ( 785 PWs) bands (ev): -6.1561 -6.1560 -3.1813 -3.1809 3.3114 3.3121 3.6919 3.6921 4.0985 4.0986 6.5158 6.5163 8.0596 8.0601 8.4649 8.4650 18.7099 18.7110 21.7370 21.7390 22.8074 22.8099 23.8204 23.8215 k = 0.2129 0.3687-0.0000 ( 785 PWs) bands (ev): -6.2524 -6.2523 -3.2083 -3.2079 3.2166 3.2173 3.7535 3.7538 4.2209 4.2211 6.6167 6.6172 8.1564 8.1569 8.5542 8.5543 18.8204 18.8215 21.6274 21.6294 22.7295 22.7320 23.7570 23.7582 k = 0.2088 0.3617-0.0000 ( 785 PWs) bands (ev): -6.3479 -6.3478 -3.2377 -3.2373 3.1227 3.1234 3.8209 3.8211 4.3455 4.3457 6.7184 6.7189 8.2534 8.2540 8.6430 8.6432 18.9310 18.9320 21.5203 21.5224 22.6525 22.6551 23.6958 23.6971 k = 0.2048 0.3548-0.0000 ( 785 PWs) bands (ev): -6.4425 -6.4424 -3.2695 -3.2692 3.0298 3.0305 3.8937 3.8940 4.4722 4.4723 6.8208 6.8214 8.3507 8.3513 8.7313 8.7315 19.0412 19.0423 21.4160 21.4180 22.5765 22.5791 23.6370 23.6383 k = 0.2008 0.3478-0.0000 ( 781 PWs) bands (ev): -6.5361 -6.5360 -3.3035 -3.3031 2.9379 2.9385 3.9718 3.9721 4.6007 4.6009 6.9239 6.9245 8.4482 8.4487 8.8189 8.8192 19.1507 19.1518 21.3143 21.3164 22.5016 22.5042 23.5807 23.5821 k = 0.1968 0.3408-0.0000 ( 781 PWs) bands (ev): -6.6286 -6.6285 -3.3394 -3.3390 2.8470 2.8476 4.0550 4.0553 4.7310 4.7312 7.0276 7.0283 8.5456 8.5461 8.9059 8.9061 19.2591 19.2601 21.2155 21.2175 22.4277 22.4304 23.5270 23.5284 k = 0.1928 0.3339-0.0000 ( 781 PWs) bands (ev): -6.7200 -6.7199 -3.3771 -3.3767 2.7573 2.7579 4.1431 4.1434 4.8629 4.8631 7.1319 7.1326 8.6429 8.6434 8.9920 8.9923 19.3658 19.3668 21.1195 21.1215 22.3548 22.3575 23.4760 23.4775 k = 0.1888 0.3269-0.0000 ( 789 PWs) bands (ev): -6.8101 -6.8101 -3.4163 -3.4160 2.6686 2.6692 4.2357 4.2360 4.9962 4.9964 7.2367 7.2374 8.7401 8.7406 9.0772 9.0775 19.4704 19.4713 21.0263 21.0283 22.2830 22.2857 23.4278 23.4294 k = 0.1847 0.3200-0.0000 ( 789 PWs) bands (ev): -6.8990 -6.8990 -3.4570 -3.4566 2.5813 2.5819 4.3328 4.3331 5.1308 5.1311 7.3420 7.3428 8.8371 8.8376 9.1615 9.1618 19.5725 19.5733 20.9361 20.9381 22.2122 22.2150 23.3827 23.3842 k = 0.1807 0.3130-0.0000 ( 785 PWs) bands (ev): -6.9866 -6.9866 -3.4988 -3.4984 2.4953 2.4959 4.4342 4.4345 5.2667 5.2669 7.4478 7.4486 8.9338 8.9342 9.2448 9.2451 19.6714 19.6722 20.8489 20.8509 22.1426 22.1454 23.3406 23.3422 k = 0.1767 0.3061-0.0000 ( 785 PWs) bands (ev): -7.0728 -7.0727 -3.5417 -3.5413 2.4107 2.4112 4.5396 4.5399 5.4035 5.4038 7.5539 7.5548 9.0300 9.0304 9.3269 9.3273 19.7667 19.7674 20.7647 20.7667 22.0741 22.0768 23.3016 23.3032 k = 0.1727 0.2991-0.0000 ( 785 PWs) bands (ev): -7.1575 -7.1575 -3.5854 -3.5850 2.3274 2.3279 4.6487 4.6490 5.5411 5.5415 7.6605 7.6614 9.1256 9.1260 9.4078 9.4082 19.8578 19.8585 20.6836 20.6857 22.0066 22.0094 23.2657 23.2674 k = 0.1687 0.2922-0.0000 ( 785 PWs) bands (ev): -7.2407 -7.2407 -3.6298 -3.6294 2.2456 2.2461 4.7614 4.7617 5.6795 5.6798 7.7673 7.7683 9.2207 9.2211 9.4875 9.4879 19.9443 19.9450 20.6057 20.6077 21.9403 21.9431 23.2331 23.2347 k = 0.1647 0.2852-0.0000 ( 789 PWs) bands (ev): -7.3225 -7.3224 -3.6747 -3.6744 2.1652 2.1657 4.8774 4.8777 5.8184 5.8187 7.8744 7.8754 9.3150 9.3154 9.5658 9.5663 20.0257 20.0263 20.5308 20.5328 21.8750 21.8779 23.2034 23.2051 k = 0.1606 0.2782-0.0000 ( 785 PWs) bands (ev): -7.4026 -7.4026 -3.7200 -3.7197 2.0864 2.0869 4.9966 4.9969 5.9576 5.9579 7.9819 7.9830 9.4086 9.4090 9.6428 9.6433 20.1015 20.1021 20.4592 20.4613 21.8109 21.8137 23.1768 23.1784 k = 0.1566 0.2713-0.0000 ( 785 PWs) bands (ev): -7.4811 -7.4811 -3.7656 -3.7653 2.0091 2.0096 5.1187 5.1190 6.0969 6.0973 8.0896 8.0906 9.5013 9.5016 9.7183 9.7188 20.1714 20.1719 20.3909 20.3929 21.7479 21.7507 23.1530 23.1546 k = 0.1526 0.2643-0.0000 ( 779 PWs) bands (ev): -7.5580 -7.5580 -3.8112 -3.8109 1.9334 1.9339 5.2435 5.2438 6.2362 6.2366 8.1975 8.1986 9.5930 9.5933 9.7923 9.7928 20.2351 20.2356 20.3258 20.3278 21.6860 21.6888 23.1316 23.1332 k = 0.1486 0.2574-0.0000 ( 779 PWs) bands (ev): -7.6332 -7.6332 -3.8569 -3.8565 1.8594 1.8598 5.3709 5.3712 6.3752 6.3756 8.3055 8.3066 9.6835 9.6838 9.8647 9.8652 20.2640 20.2661 20.2923 20.2928 21.6251 21.6280 23.1124 23.1139 k = 0.1446 0.2504-0.0000 ( 783 PWs) bands (ev): -7.7067 -7.7067 -3.9023 -3.9020 1.7869 1.7874 5.5004 5.5007 6.5136 6.5140 8.4137 8.4148 9.7728 9.7732 9.9355 9.9360 20.2056 20.2076 20.3430 20.3434 21.5654 21.5683 23.0948 23.0962 k = 0.1406 0.2435-0.0000 ( 775 PWs) bands (ev): -7.7784 -7.7784 -3.9476 -3.9473 1.7162 1.7166 5.6322 5.6325 6.6513 6.6517 8.5221 8.5233 9.8609 9.8612 10.0049 10.0054 20.1505 20.1526 20.3871 20.3874 21.5068 21.5097 23.0783 23.0797 k = 0.1365 0.2365-0.0000 ( 775 PWs) bands (ev): -7.8484 -7.8484 -3.9924 -3.9921 1.6472 1.6476 5.7658 5.7661 6.7880 6.7885 8.6306 8.6318 9.9475 9.9478 10.0723 10.0729 20.0989 20.1009 20.4246 20.4249 21.4493 21.4522 23.0622 23.0635 k = 0.1325 0.2295-0.0000 ( 775 PWs) bands (ev): -7.9166 -7.9165 -4.0368 -4.0365 1.5800 1.5804 5.9010 5.9013 6.9234 6.9239 8.7392 8.7404 10.0326 10.0329 10.1381 10.1386 20.0506 20.0526 20.4558 20.4561 21.3928 21.3958 23.0459 23.0470 k = 0.1285 0.2226-0.0000 ( 775 PWs) bands (ev): -7.9829 -7.9829 -4.0806 -4.0803 1.5145 1.5149 6.0377 6.0380 7.0574 7.0579 8.8480 8.8492 10.1161 10.1163 10.2021 10.2026 20.0058 20.0078 20.4809 20.4812 21.3375 21.3404 23.0284 23.0295 k = 0.1245 0.2156-0.0000 ( 775 PWs) bands (ev): -8.0474 -8.0474 -4.1238 -4.1235 1.4508 1.4512 6.1756 6.1759 7.1895 7.1900 8.9568 8.9581 10.1978 10.1980 10.2644 10.2649 19.9644 19.9665 20.5003 20.5006 21.2833 21.2862 23.0090 23.0100 k = 0.1205 0.2087-0.0000 ( 773 PWs) bands (ev): -8.1100 -8.1100 -4.1663 -4.1660 1.3889 1.3893 6.3146 6.3149 7.3197 7.3202 9.0659 9.0671 10.2776 10.2779 10.3249 10.3255 19.9265 19.9285 20.5143 20.5145 21.2301 21.2331 22.9868 22.9877 k = 0.1165 0.2017-0.0000 ( 773 PWs) bands (ev): -8.1708 -8.1708 -4.2079 -4.2077 1.3289 1.3293 6.4543 6.4546 7.4474 7.4479 9.1749 9.1761 10.3552 10.3554 10.3840 10.3845 19.8920 19.8941 20.5233 20.5235 21.1780 21.1810 22.9609 22.9617 k = 0.1124 0.1948-0.0000 ( 773 PWs) bands (ev): -8.2296 -8.2296 -4.2487 -4.2484 1.2708 1.2711 6.5945 6.5948 7.5725 7.5730 9.2841 9.2853 10.4291 10.4294 10.4429 10.4434 19.8610 19.8631 20.5277 20.5279 21.1271 21.1301 22.9302 22.9309 k = 0.1084 0.1878-0.0000 ( 773 PWs) bands (ev): -8.2865 -8.2865 -4.2885 -4.2883 1.2145 1.2148 6.7351 6.7354 7.6946 7.6951 9.3933 9.3944 10.4917 10.4921 10.5092 10.5095 19.8334 19.8355 20.5279 20.5282 21.0772 21.0802 22.8940 22.8946 k = 0.1044 0.1809-0.0000 ( 773 PWs) bands (ev): -8.3415 -8.3414 -4.3273 -4.3271 1.1601 1.1604 6.8757 6.8759 7.8136 7.8140 9.5024 9.5036 10.5459 10.5464 10.5797 10.5800 19.8092 19.8113 20.5244 20.5247 21.0283 21.0314 22.8512 22.8518 k = 0.1004 0.1739-0.0000 ( 765 PWs) bands (ev): -8.3944 -8.3944 -4.3651 -4.3649 1.1077 1.1080 7.0161 7.0164 7.9292 7.9297 9.6116 9.6126 10.5975 10.5979 10.6489 10.6491 19.7885 19.7906 20.5176 20.5178 20.9806 20.9837 22.8014 22.8018 k = 0.0964 0.1669-0.0000 ( 765 PWs) bands (ev): -8.4455 -8.4455 -4.4017 -4.4015 1.0572 1.0574 7.1560 7.1562 8.0409 8.0414 9.7205 9.7215 10.6469 10.6472 10.7159 10.7161 19.7710 19.7732 20.5077 20.5080 20.9339 20.9371 22.7438 22.7442 k = 0.0924 0.1600-0.0000 ( 765 PWs) bands (ev): -8.4945 -8.4945 -4.4372 -4.4370 1.0086 1.0089 7.2950 7.2952 8.1487 8.1491 9.8291 9.8300 10.6943 10.6946 10.7806 10.7807 19.7569 19.7591 20.4952 20.4954 20.8884 20.8915 22.6785 22.6789 k = 0.0884 0.1530-0.0000 ( 765 PWs) bands (ev): -8.5415 -8.5415 -4.4715 -4.4713 0.9620 0.9622 7.4329 7.4331 8.2522 8.2526 9.9373 9.9381 10.7398 10.7401 10.8427 10.8428 19.7460 19.7482 20.4802 20.4805 20.8438 20.8470 22.6058 22.6060 k = 0.0843 0.1461-0.0000 ( 765 PWs) bands (ev): -8.5866 -8.5865 -4.5045 -4.5043 0.9174 0.9176 7.5693 7.5695 8.3515 8.3518 10.0448 10.0455 10.7834 10.7836 10.9021 10.9023 19.7383 19.7406 20.4632 20.4634 20.8003 20.8036 22.5263 22.5264 k = 0.0803 0.1391-0.0000 ( 765 PWs) bands (ev): -8.6296 -8.6295 -4.5362 -4.5360 0.8747 0.8750 7.7040 7.7042 8.4461 8.4465 10.1514 10.1520 10.8252 10.8253 10.9589 10.9591 19.7337 19.7360 20.4442 20.4444 20.7579 20.7612 22.4409 22.4410 k = 0.0763 0.1322-0.0000 ( 765 PWs) bands (ev): -8.6705 -8.6705 -4.5665 -4.5664 0.8341 0.8343 7.8365 7.8367 8.5362 8.5365 10.2568 10.2573 10.8650 10.8650 11.0130 11.0131 19.7321 19.7344 20.4235 20.4237 20.7166 20.7199 22.3511 22.3511 k = 0.0723 0.1252-0.0000 ( 761 PWs) bands (ev): -8.7094 -8.7094 -4.5955 -4.5954 0.7955 0.7957 7.9666 7.9668 8.6215 8.6218 10.3608 10.3611 10.9029 10.9030 11.0642 11.0643 19.7334 19.7358 20.4013 20.4015 20.6763 20.6797 22.2581 22.2582 k = 0.0683 0.1183-0.0000 ( 761 PWs) bands (ev): -8.7463 -8.7463 -4.6231 -4.6230 0.7590 0.7592 8.0936 8.0939 8.7020 8.7022 10.4629 10.4631 10.9387 10.9390 11.1125 11.1126 19.7375 19.7399 20.3777 20.3779 20.6370 20.6405 22.1634 22.1635 k = 0.0643 0.1113-0.0000 ( 761 PWs) bands (ev): -8.7811 -8.7811 -4.6493 -4.6491 0.7244 0.7246 8.2174 8.2176 8.7776 8.7778 10.5627 10.5628 10.9727 10.9732 11.1578 11.1579 19.7442 19.7467 20.3529 20.3531 20.5988 20.6023 22.0683 22.0685 k = 0.0602 0.1043-0.0000 ( 761 PWs) bands (ev): -8.8138 -8.8138 -4.6740 -4.6738 0.6919 0.6921 8.3375 8.3377 8.8484 8.8485 10.6596 10.6600 11.0047 11.0054 11.2001 11.2002 19.7534 19.7559 20.3270 20.3271 20.5617 20.5652 21.9744 21.9745 k = 0.0562 0.0974-0.0000 ( 765 PWs) bands (ev): -8.8444 -8.8444 -4.6972 -4.6971 0.6615 0.6617 8.4532 8.4534 8.9141 8.9143 10.7533 10.7540 11.0347 11.0359 11.2395 11.2395 19.7648 19.7674 20.3001 20.3003 20.5256 20.5292 21.8826 21.8828 k = 0.0522 0.0904-0.0000 ( 761 PWs) bands (ev): -8.8730 -8.8730 -4.7189 -4.7188 0.6331 0.6333 8.5642 8.5644 8.9752 8.9753 10.8434 10.8447 11.0629 11.0646 11.2757 11.2758 19.7784 19.7811 20.2724 20.2726 20.4906 20.4942 21.7942 21.7944 k = 0.0482 0.0835-0.0000 ( 761 PWs) bands (ev): -8.8995 -8.8995 -4.7391 -4.7390 0.6068 0.6070 8.6700 8.6702 9.0314 9.0315 10.9290 10.9311 11.0891 11.0915 11.3090 11.3091 19.7939 19.7967 20.2442 20.2444 20.4566 20.4603 21.7101 21.7103 k = 0.0442 0.0765-0.0000 ( 761 PWs) bands (ev): -8.9238 -8.9238 -4.7577 -4.7576 0.5826 0.5828 8.7700 8.7702 9.0828 9.0829 11.0092 11.0129 11.1134 11.1173 11.3392 11.3393 19.8111 19.8139 20.2157 20.2158 20.4238 20.4274 21.6312 21.6314 k = 0.0402 0.0696-0.0000 ( 761 PWs) bands (ev): -8.9461 -8.9461 -4.7748 -4.7747 0.5605 0.5606 8.8638 8.8639 9.1295 9.1296 11.0816 11.0891 11.1362 11.1439 11.3665 11.3665 19.8298 19.8327 20.1872 20.1873 20.3920 20.3957 21.5582 21.5584 k = 0.0361 0.0626-0.0000 ( 765 PWs) bands (ev): -8.9663 -8.9663 -4.7903 -4.7902 0.5405 0.5406 8.9508 8.9509 9.1716 9.1716 11.1360 11.1495 11.1669 11.1806 11.3907 11.3908 19.8496 19.8526 20.1591 20.1592 20.3613 20.3650 21.4915 21.4917 k = 0.0321 0.0556-0.0000 ( 767 PWs) bands (ev): -8.9843 -8.9843 -4.8042 -4.8041 0.5225 0.5226 9.0304 9.0305 9.2089 9.2090 11.1650 11.1714 11.2282 11.2349 11.4121 11.4122 19.8704 19.8734 20.1318 20.1319 20.3318 20.3355 21.4316 21.4318 k = 0.0281 0.0487-0.0000 ( 769 PWs) bands (ev): -9.0003 -9.0003 -4.8165 -4.8164 0.5067 0.5068 9.1021 9.1022 9.2419 9.2419 11.1841 11.1878 11.2867 11.2906 11.4307 11.4308 19.8917 19.8948 20.1058 20.1060 20.3035 20.3072 21.3787 21.3788 k = 0.0241 0.0417-0.0000 ( 769 PWs) bands (ev): -9.0141 -9.0141 -4.8271 -4.8271 0.4930 0.4930 9.1655 9.1656 9.2703 9.2703 11.1992 11.2018 11.3385 11.3412 11.4466 11.4467 19.9134 19.9164 20.0818 20.0820 20.2766 20.2803 21.3330 21.3331 k = 0.0201 0.0348-0.0000 ( 771 PWs) bands (ev): -9.0258 -9.0258 -4.8362 -4.8361 0.4813 0.4814 9.2199 9.2200 9.2943 9.2943 11.2117 11.2135 11.3830 11.3850 11.4599 11.4600 19.9347 19.9378 20.0603 20.0604 20.2513 20.2548 21.2944 21.2945 k = 0.0161 0.0278-0.0000 ( 771 PWs) bands (ev): -9.0354 -9.0354 -4.8436 -4.8436 0.4718 0.4719 9.2650 9.2651 9.3140 9.3140 11.2218 11.2231 11.4198 11.4213 11.4708 11.4710 19.9554 19.9583 20.0418 20.0420 20.2279 20.2312 21.2630 21.2631 k = 0.0120 0.0209-0.0000 ( 769 PWs) bands (ev): -9.0428 -9.0428 -4.8494 -4.8493 0.4644 0.4645 9.3001 9.3002 9.3297 9.3297 11.2296 11.2306 11.4483 11.4495 11.4799 11.4801 19.9744 19.9771 20.0269 20.0270 20.2072 20.2101 21.2387 21.2388 k = 0.0080 0.0139-0.0000 ( 765 PWs) bands (ev): -9.0481 -9.0481 -4.8535 -4.8535 0.4591 0.4592 9.3247 9.3248 9.3417 9.3417 11.2353 11.2359 11.4681 11.4689 11.4874 11.4875 19.9904 19.9926 20.0160 20.0162 20.1903 20.1925 21.2215 21.2215 k = 0.0040 0.0070-0.0000 ( 761 PWs) bands (ev): -9.0513 -9.0513 -4.8559 -4.8559 0.4560 0.4560 9.3381 9.3382 9.3504 9.3504 11.2387 11.2390 11.4787 11.4791 11.4934 11.4934 20.0013 20.0027 20.0098 20.0101 20.1790 20.1803 21.2112 21.2112 k = 0.0000 0.0000 0.0000 ( 761 PWs) bands (ev): -9.0524 -9.0524 -4.8568 -4.8568 0.4549 0.4549 9.3420 9.3420 9.3539 9.3539 11.2399 11.2399 11.4817 11.4817 11.4959 11.4959 20.0044 20.0044 20.0093 20.0093 20.1754 20.1754 21.2077 21.2077 k = 0.0000 0.0000 0.0000 ( 761 PWs) bands (ev): -9.0524 -9.0524 -4.8568 -4.8568 0.4549 0.4549 9.3420 9.3420 9.3539 9.3539 11.2399 11.2399 11.4817 11.4817 11.4959 11.4959 20.0044 20.0044 20.0093 20.0093 20.1754 20.1754 21.2077 21.2077 k = 0.0000 0.0000 0.0079 ( 761 PWs) bands (ev): -9.0513 -9.0513 -4.8610 -4.8610 0.4610 0.4610 9.3427 9.3427 9.3546 9.3546 11.2338 11.2338 11.4806 11.4806 11.4948 11.4948 20.0056 20.0056 20.0106 20.0106 20.1784 20.1784 21.2077 21.2077 k = 0.0000 0.0000 0.0159 ( 761 PWs) bands (ev): -9.0482 -9.0482 -4.8736 -4.8736 0.4792 0.4792 9.3450 9.3450 9.3569 9.3569 11.2153 11.2153 11.4771 11.4771 11.4913 11.4913 20.0095 20.0095 20.0144 20.0144 20.1874 20.1874 21.2076 21.2076 k = 0.0000 0.0000 0.0238 ( 761 PWs) bands (ev): -9.0429 -9.0429 -4.8945 -4.8945 0.5094 0.5094 9.3487 9.3487 9.3606 9.3606 11.1847 11.1847 11.4713 11.4713 11.4855 11.4855 20.0158 20.0158 20.0207 20.0207 20.2023 20.2023 21.2074 21.2074 k = 0.0000 0.0000 0.0318 ( 761 PWs) bands (ev): -9.0356 -9.0356 -4.9232 -4.9232 0.5513 0.5513 9.3539 9.3539 9.3658 9.3658 11.1421 11.1421 11.4632 11.4632 11.4775 11.4775 20.0247 20.0247 20.0296 20.0296 20.2227 20.2227 21.2071 21.2071 k = 0.0000 0.0000 0.0397 ( 761 PWs) bands (ev): -9.0262 -9.0262 -4.9595 -4.9595 0.6043 0.6043 9.3607 9.3607 9.3725 9.3725 11.0879 11.0879 11.4529 11.4529 11.4672 11.4672 20.0361 20.0361 20.0410 20.0410 20.2484 20.2484 21.2067 21.2067 k = 0.0000 0.0000 0.0477 ( 761 PWs) bands (ev): -9.0147 -9.0147 -5.0029 -5.0029 0.6682 0.6682 9.3688 9.3688 9.3807 9.3807 11.0224 11.0224 11.4404 11.4404 11.4547 11.4547 20.0500 20.0500 20.0550 20.0550 20.2788 20.2788 21.2062 21.2062 k = 0.0000 0.0000 0.0556 ( 761 PWs) bands (ev): -9.0012 -9.0012 -5.0528 -5.0528 0.7424 0.7424 9.3785 9.3785 9.3904 9.3904 10.9460 10.9460 11.4257 11.4257 11.4400 11.4400 20.0664 20.0664 20.0713 20.0713 20.3134 20.3134 21.2057 21.2057 k = 0.0000 0.0000 0.0636 ( 761 PWs) bands (ev): -8.9855 -8.9855 -5.1088 -5.1088 0.8263 0.8263 9.3896 9.3896 9.4015 9.4015 10.8591 10.8591 11.4089 11.4089 11.4232 11.4232 20.0852 20.0852 20.0902 20.0902 20.3518 20.3518 21.2050 21.2050 k = 0.0000 0.0000 0.0715 ( 755 PWs) bands (ev): -8.9678 -8.9678 -5.1702 -5.1702 0.9193 0.9193 9.4022 9.4022 9.4141 9.4141 10.7625 10.7625 11.3901 11.3901 11.4044 11.4044 20.1065 20.1065 20.1115 20.1115 20.3932 20.3932 21.2043 21.2043 k = 0.0000 0.0000 0.0795 ( 749 PWs) bands (ev): -8.9479 -8.9479 -5.2364 -5.2364 1.0209 1.0209 9.4163 9.4163 9.4283 9.4283 10.6563 10.6563 11.3692 11.3692 11.3835 11.3835 20.1301 20.1301 20.1351 20.1351 20.4370 20.4370 21.2036 21.2036 k = 0.0000 0.0000 0.0874 ( 749 PWs) bands (ev): -8.9261 -8.9261 -5.3070 -5.3070 1.1304 1.1304 9.4318 9.4318 9.4437 9.4437 10.5412 10.5412 11.3463 11.3463 11.3606 11.3606 20.1561 20.1561 20.1611 20.1611 20.4824 20.4824 21.2028 21.2028 k = 0.0000 0.0000 0.0954 ( 755 PWs) bands (ev): -8.9021 -8.9021 -5.3814 -5.3814 1.2476 1.2476 9.4485 9.4485 9.4605 9.4605 10.4179 10.4179 11.3211 11.3211 11.3354 11.3354 20.1843 20.1843 20.1894 20.1894 20.5290 20.5290 21.2019 21.2019 k = 0.0000 0.0000 0.1033 ( 755 PWs) bands (ev): -8.8761 -8.8761 -5.4591 -5.4591 1.3715 1.3715 9.4668 9.4668 9.4787 9.4787 10.2867 10.2867 11.2946 11.2946 11.3088 11.3088 20.2149 20.2149 20.2200 20.2200 20.5759 20.5759 21.2009 21.2009 k = 0.0000 0.0000 0.1113 ( 755 PWs) bands (ev): -8.8481 -8.8481 -5.5396 -5.5396 1.5018 1.5018 9.4864 9.4864 9.4984 9.4984 10.1483 10.1483 11.2663 11.2663 11.2805 11.2805 20.2477 20.2477 20.2528 20.2528 20.6225 20.6225 21.1999 21.1999 k = 0.0000 0.0000 0.1192 ( 755 PWs) bands (ev): -8.8180 -8.8180 -5.6225 -5.6225 1.6380 1.6380 9.5074 9.5074 9.5194 9.5194 10.0031 10.0031 11.2364 11.2364 11.2505 11.2505 20.2827 20.2827 20.2879 20.2879 20.6684 20.6684 21.1988 21.1988 k = 0.0000 0.0000 0.1271 ( 755 PWs) bands (ev): -8.7858 -8.7858 -5.7074 -5.7074 1.7798 1.7798 9.5297 9.5297 9.5417 9.5417 9.8517 9.8517 11.2049 11.2049 11.2190 11.2190 20.3198 20.3198 20.3250 20.3250 20.7129 20.7129 21.1977 21.1977 k = 0.0000 0.0000 0.1351 ( 755 PWs) bands (ev): -8.7517 -8.7517 -5.7939 -5.7939 1.9268 1.9268 9.5533 9.5533 9.5654 9.5654 9.6947 9.6947 11.1720 11.1720 11.1860 11.1860 20.3590 20.3590 20.3643 20.3643 20.7556 20.7556 21.1965 21.1965 k = 0.0000 0.0000 0.1430 ( 755 PWs) bands (ev): -8.7154 -8.7154 -5.8816 -5.8816 2.0785 2.0785 9.5323 9.5323 9.5782 9.5782 9.5903 9.5903 11.1376 11.1376 11.1516 11.1516 20.4003 20.4003 20.4056 20.4056 20.7962 20.7962 21.1953 21.1953 k = 0.0000 0.0000 0.1510 ( 767 PWs) bands (ev): -8.6773 -8.6773 -5.9703 -5.9703 2.2346 2.2346 9.3650 9.3650 9.6043 9.6043 9.6165 9.6165 11.1017 11.1017 11.1156 11.1156 20.4435 20.4435 20.4489 20.4489 20.8344 20.8344 21.1941 21.1941 k = 0.0000 0.0000 0.1589 ( 767 PWs) bands (ev): -8.6370 -8.6370 -6.0597 -6.0597 2.3948 2.3948 9.1935 9.1935 9.6318 9.6318 9.6439 9.6439 11.0648 11.0648 11.0787 11.0787 20.4887 20.4887 20.4941 20.4941 20.8701 20.8701 21.1927 21.1927 k = 0.0000 0.0000 0.1669 ( 767 PWs) bands (ev): -8.5948 -8.5948 -6.1495 -6.1495 2.5589 2.5589 9.0180 9.0180 9.6604 9.6604 9.6726 9.6726 11.0268 11.0268 11.0407 11.0407 20.5358 20.5358 20.5413 20.5413 20.9031 20.9031 21.1914 21.1914 k = 0.0000 0.0000 0.1748 ( 767 PWs) bands (ev): -8.5506 -8.5506 -6.2395 -6.2395 2.7265 2.7265 8.8389 8.8389 9.6903 9.6903 9.7025 9.7025 10.9878 10.9878 11.0016 11.0016 20.5848 20.5848 20.5903 20.5903 20.9334 20.9334 21.1900 21.1900 k = 0.0000 0.0000 0.1828 ( 767 PWs) bands (ev): -8.5044 -8.5044 -6.3295 -6.3295 2.8974 2.8974 8.6566 8.6566 9.7213 9.7213 9.7335 9.7335 10.9479 10.9479 10.9616 10.9616 20.6355 20.6355 20.6410 20.6410 20.9611 20.9611 21.1885 21.1885 k = 0.0000 0.0000 0.1907 ( 773 PWs) bands (ev): -8.4563 -8.4563 -6.4193 -6.4193 3.0714 3.0714 8.4711 8.4711 9.7534 9.7534 9.7657 9.7657 10.9071 10.9071 10.9208 10.9208 20.6879 20.6879 20.6935 20.6935 20.9861 20.9861 21.1870 21.1870 k = 0.0000 0.0000 0.1987 ( 785 PWs) bands (ev): -8.4062 -8.4062 -6.5088 -6.5088 3.2482 3.2482 8.2828 8.2828 9.7866 9.7866 9.7989 9.7989 10.8654 10.8654 10.8790 10.8790 20.7420 20.7420 20.7477 20.7477 21.0087 21.0087 21.1855 21.1855 k = 0.0000 0.0000 0.2066 ( 785 PWs) bands (ev): -8.3542 -8.3542 -6.5978 -6.5978 3.4277 3.4277 8.0927 8.0927 9.8208 9.8208 9.8332 9.8332 10.8232 10.8232 10.8368 10.8368 20.7977 20.7977 20.8034 20.8034 21.0290 21.0290 21.1838 21.1838 k = 0.0000 0.0000 0.2146 ( 785 PWs) bands (ev): -8.3002 -8.3002 -6.6861 -6.6861 3.6097 3.6097 7.9007 7.9007 9.8560 9.8560 9.8684 9.8684 10.7805 10.7805 10.7940 10.7940 20.8550 20.8550 20.8607 20.8607 21.0472 21.0472 21.1821 21.1821 k = 0.0000 0.0000 0.2225 ( 785 PWs) bands (ev): -8.2444 -8.2444 -6.7737 -6.7737 3.7940 3.7940 7.7070 7.7070 9.8923 9.8923 9.9047 9.9047 10.7372 10.7372 10.7507 10.7507 20.9137 20.9137 20.9195 20.9195 21.0633 21.0633 21.1803 21.1803 k = 0.0000 0.0000 0.2305 ( 784 PWs) bands (ev): -8.1867 -8.1867 -6.8604 -6.8604 3.9804 3.9804 7.5118 7.5118 9.9294 9.9294 9.9419 9.9419 10.6936 10.6936 10.7070 10.7070 20.9739 20.9739 20.9798 20.9798 21.0778 21.0778 21.1784 21.1784 k = 0.0000 0.0000 0.2384 ( 784 PWs) bands (ev): -8.1271 -8.1271 -6.9460 -6.9460 4.1687 4.1687 7.3154 7.3154 9.9674 9.9674 9.9799 9.9799 10.6497 10.6497 10.6630 10.6630 21.0354 21.0354 21.0413 21.0413 21.0906 21.0906 21.1764 21.1764 k = 0.0000 0.0000 0.2463 ( 784 PWs) bands (ev): -8.0657 -8.0657 -7.0306 -7.0306 4.3588 4.3588 7.1181 7.1181 10.0063 10.0063 10.0188 10.0188 10.6055 10.6055 10.6188 10.6188 21.0977 21.0977 21.1024 21.1024 21.1042 21.1042 21.1742 21.1742 k = 0.0000 0.0000 0.2543 ( 778 PWs) bands (ev): -8.0024 -8.0024 -7.1141 -7.1141 4.5505 4.5505 6.9199 6.9199 10.0459 10.0459 10.0585 10.0585 10.5614 10.5614 10.5746 10.5746 21.1118 21.1118 21.1623 21.1623 21.1683 21.1683 21.1718 21.1718 k = 0.0000 0.0000 0.2622 ( 778 PWs) bands (ev): -7.9374 -7.9374 -7.1963 -7.1963 4.7437 4.7437 6.7212 6.7212 10.0863 10.0863 10.0989 10.0989 10.5170 10.5170 10.5302 10.5302 21.1207 21.1207 21.1693 21.1693 21.2275 21.2275 21.2335 21.2335 k = 0.0000 0.0000 0.2702 ( 778 PWs) bands (ev): -7.8706 -7.8706 -7.2772 -7.2772 4.9382 4.9382 6.5222 6.5222 10.1273 10.1273 10.1400 10.1400 10.4727 10.4727 10.4858 10.4858 21.1285 21.1285 21.1665 21.1665 21.2937 21.2937 21.2999 21.2999 k = 0.0000 0.0000 0.2781 ( 772 PWs) bands (ev): -7.8021 -7.8021 -7.3567 -7.3567 5.1338 5.1338 6.3231 6.3231 10.1690 10.1690 10.1817 10.1817 10.4285 10.4285 10.4415 10.4415 21.1355 21.1355 21.1634 21.1634 21.3610 21.3610 21.3672 21.3672 k = 0.0000 0.0000 0.2861 ( 772 PWs) bands (ev): -7.7319 -7.7319 -7.4348 -7.4348 5.3305 5.3305 6.1238 6.1238 10.2112 10.2112 10.2240 10.2240 10.3844 10.3844 10.3974 10.3974 21.1416 21.1416 21.1599 21.1599 21.4291 21.4291 21.4354 21.4354 k = 0.0000 0.0000 0.2940 ( 772 PWs) bands (ev): -7.6600 -7.6600 -7.5114 -7.5114 5.5279 5.5279 5.9248 5.9248 10.2539 10.2539 10.2667 10.2667 10.3406 10.3406 10.3535 10.3535 21.1470 21.1470 21.1561 21.1561 21.4981 21.4981 21.5045 21.5045 k = 0.0000 0.0000 0.3020 ( 772 PWs) bands (ev): -7.5866 -7.5866 -7.5864 -7.5864 5.7259 5.7259 5.7263 5.7263 10.2970 10.2970 10.2971 10.2971 10.3099 10.3099 10.3100 10.3100 21.1517 21.1517 21.1519 21.1519 21.5678 21.5678 21.5680 21.5680 k = 0.0000 0.0000 0.3020 ( 772 PWs) bands (ev): -7.5866 -7.5866 -7.5864 -7.5864 5.7259 5.7259 5.7263 5.7263 10.2970 10.2970 10.2971 10.2971 10.3099 10.3099 10.3100 10.3100 21.1517 21.1517 21.1519 21.1519 21.5678 21.5678 21.5680 21.5680 k = 0.0069 0.0040 0.3020 ( 772 PWs) bands (ev): -7.5856 -7.5856 -7.5854 -7.5854 5.7263 5.7264 5.7267 5.7267 10.2936 10.2936 10.2937 10.2937 10.3068 10.3068 10.3069 10.3069 21.1543 21.1544 21.1545 21.1546 21.5676 21.5676 21.5677 21.5678 k = 0.0139 0.0080 0.3020 ( 772 PWs) bands (ev): -7.5825 -7.5825 -7.5824 -7.5824 5.7276 5.7276 5.7279 5.7279 10.2820 10.2820 10.2821 10.2821 10.2992 10.2992 10.2993 10.2993 21.1621 21.1623 21.1623 21.1625 21.5633 21.5633 21.5635 21.5635 k = 0.0208 0.0120 0.3020 ( 766 PWs) bands (ev): -7.5775 -7.5775 -7.5773 -7.5773 5.7296 5.7296 5.7300 5.7300 10.2604 10.2604 10.2605 10.2605 10.2891 10.2891 10.2892 10.2892 21.1745 21.1747 21.1748 21.1750 21.5554 21.5554 21.5556 21.5556 k = 0.0278 0.0160 0.3020 ( 766 PWs) bands (ev): -7.5704 -7.5704 -7.5703 -7.5702 5.7324 5.7325 5.7328 5.7328 10.2288 10.2288 10.2289 10.2289 10.2762 10.2762 10.2763 10.2763 21.1902 21.1903 21.1905 21.1907 21.5456 21.5456 21.5457 21.5458 k = 0.0347 0.0200 0.3020 ( 766 PWs) bands (ev): -7.5613 -7.5613 -7.5612 -7.5612 5.7360 5.7361 5.7364 5.7364 10.1881 10.1881 10.1882 10.1882 10.2602 10.2602 10.2603 10.2603 21.2070 21.2072 21.2074 21.2076 21.5361 21.5361 21.5363 21.5363 k = 0.0417 0.0241 0.3020 ( 770 PWs) bands (ev): -7.5502 -7.5502 -7.5501 -7.5501 5.7404 5.7404 5.7407 5.7408 10.1386 10.1386 10.1387 10.1387 10.2409 10.2409 10.2409 10.2410 21.2217 21.2219 21.2222 21.2224 21.5303 21.5303 21.5304 21.5305 k = 0.0486 0.0281 0.3020 ( 772 PWs) bands (ev): -7.5371 -7.5371 -7.5370 -7.5370 5.7454 5.7454 5.7457 5.7458 10.0808 10.0808 10.0809 10.0809 10.2185 10.2185 10.2185 10.2185 21.2296 21.2298 21.2301 21.2303 21.5327 21.5328 21.5329 21.5330 k = 0.0556 0.0321 0.3020 ( 776 PWs) bands (ev): -7.5220 -7.5220 -7.5219 -7.5218 5.7511 5.7511 5.7514 5.7515 10.0149 10.0149 10.0150 10.0150 10.1929 10.1929 10.1930 10.1930 21.2263 21.2264 21.2268 21.2270 21.5478 21.5479 21.5479 21.5481 k = 0.0625 0.0361 0.3020 ( 780 PWs) bands (ev): -7.5049 -7.5049 -7.5047 -7.5047 5.7573 5.7574 5.7577 5.7578 9.9414 9.9415 9.9415 9.9415 10.1644 10.1644 10.1644 10.1644 21.2099 21.2100 21.2104 21.2105 21.5772 21.5774 21.5774 21.5776 k = 0.0694 0.0401 0.3020 ( 780 PWs) bands (ev): -7.4858 -7.4858 -7.4856 -7.4856 5.7642 5.7642 5.7645 5.7646 9.8609 9.8610 9.8610 9.8611 10.1329 10.1329 10.1330 10.1330 21.1816 21.1818 21.1821 21.1822 21.6196 21.6198 21.6199 21.6201 k = 0.0764 0.0441 0.3020 ( 780 PWs) bands (ev): -7.4647 -7.4647 -7.4645 -7.4645 5.7714 5.7715 5.7717 5.7718 9.7738 9.7738 9.7738 9.7739 10.0988 10.0988 10.0988 10.0988 21.1441 21.1442 21.1445 21.1447 21.6723 21.6725 21.6727 21.6729 k = 0.0833 0.0481 0.3020 ( 780 PWs) bands (ev): -7.4416 -7.4416 -7.4414 -7.4414 5.7790 5.7791 5.7793 5.7794 9.6804 9.6804 9.6804 9.6805 10.0620 10.0620 10.0620 10.0620 21.0995 21.0997 21.0999 21.1001 21.7327 21.7329 21.7332 21.7334 k = 0.0903 0.0521 0.3020 ( 780 PWs) bands (ev): -7.4165 -7.4165 -7.4164 -7.4164 5.7868 5.7869 5.7871 5.7872 9.5812 9.5813 9.5813 9.5814 10.0227 10.0227 10.0228 10.0228 21.0496 21.0497 21.0499 21.0501 21.7990 21.7992 21.7996 21.7998 k = 0.0972 0.0561 0.3020 ( 776 PWs) bands (ev): -7.3895 -7.3895 -7.3894 -7.3893 5.7947 5.7948 5.7951 5.7952 9.4770 9.4771 9.4771 9.4771 9.9811 9.9811 9.9812 9.9812 20.9954 20.9955 20.9958 20.9959 21.8698 21.8700 21.8704 21.8706 k = 0.1042 0.0601 0.3020 ( 780 PWs) bands (ev): -7.3605 -7.3605 -7.3604 -7.3604 5.8025 5.8026 5.8028 5.8030 9.3680 9.3681 9.3681 9.3681 9.9373 9.9373 9.9374 9.9374 20.9378 20.9379 20.9381 20.9383 21.9437 21.9439 21.9444 21.9446 k = 0.1111 0.0642 0.3020 ( 780 PWs) bands (ev): -7.3296 -7.3296 -7.3295 -7.3294 5.8101 5.8102 5.8104 5.8106 9.2549 9.2550 9.2550 9.2550 9.8915 9.8915 9.8916 9.8916 20.8774 20.8775 20.8777 20.8778 22.0200 22.0202 22.0207 22.0210 k = 0.1181 0.0682 0.3020 ( 776 PWs) bands (ev): -7.2967 -7.2967 -7.2966 -7.2966 5.8172 5.8174 5.8175 5.8177 9.1383 9.1384 9.1384 9.1384 9.8441 9.8441 9.8442 9.8442 20.8147 20.8149 20.8150 20.8152 22.0976 22.0979 22.0985 22.0987 k = 0.1250 0.0722 0.3020 ( 772 PWs) bands (ev): -7.2620 -7.2619 -7.2618 -7.2618 5.8237 5.8238 5.8240 5.8241 9.0188 9.0189 9.0190 9.0190 9.7948 9.7948 9.7948 9.7948 20.7501 20.7503 20.7504 20.7506 22.1759 22.1761 22.1767 22.1770 k = 0.1319 0.0762 0.3020 ( 768 PWs) bands (ev): -7.2253 -7.2252 -7.2251 -7.2251 5.8290 5.8292 5.8293 5.8295 8.8972 8.8972 8.8973 8.8973 9.7440 9.7440 9.7441 9.7441 20.6840 20.6842 20.6843 20.6844 22.2539 22.2541 22.2548 22.2550 k = 0.1389 0.0802 0.3020 ( 768 PWs) bands (ev): -7.1867 -7.1866 -7.1865 -7.1865 5.8329 5.8331 5.8332 5.8334 8.7739 8.7739 8.7740 8.7740 9.6918 9.6918 9.6919 9.6919 20.6166 20.6167 20.6168 20.6170 22.3308 22.3311 22.3317 22.3320 k = 0.1458 0.0842 0.3020 ( 768 PWs) bands (ev): -7.1462 -7.1462 -7.1461 -7.1460 5.8350 5.8352 5.8353 5.8355 8.6498 8.6498 8.6499 8.6499 9.6384 9.6384 9.6384 9.6384 20.5481 20.5483 20.5484 20.5485 22.4060 22.4062 22.4069 22.4072 k = 0.1528 0.0882 0.3020 ( 768 PWs) bands (ev): -7.1039 -7.1039 -7.1037 -7.1037 5.8347 5.8349 5.8350 5.8352 8.5257 8.5257 8.5258 8.5259 9.5839 9.5839 9.5840 9.5840 20.4789 20.4791 20.4791 20.4792 22.4786 22.4789 22.4796 22.4799 k = 0.1597 0.0922 0.3020 ( 764 PWs) bands (ev): -7.0597 -7.0597 -7.0596 -7.0595 5.8315 5.8318 5.8318 5.8321 8.4025 8.4026 8.4027 8.4028 9.5285 9.5285 9.5286 9.5286 20.4091 20.4092 20.4093 20.4094 22.5481 22.5483 22.5491 22.5493 k = 0.1667 0.0962 0.3020 ( 764 PWs) bands (ev): -7.0137 -7.0137 -7.0136 -7.0135 5.8246 5.8249 5.8249 5.8252 8.2813 8.2813 8.2814 8.2815 9.4724 9.4724 9.4724 9.4725 20.3389 20.3390 20.3390 20.3392 22.6136 22.6138 22.6146 22.6148 k = 0.1736 0.1002 0.3020 ( 764 PWs) bands (ev): -6.9659 -6.9659 -6.9658 -6.9657 5.8132 5.8135 5.8135 5.8138 8.1629 8.1630 8.1631 8.1632 9.4156 9.4156 9.4157 9.4157 20.2684 20.2685 20.2685 20.2687 22.6745 22.6748 22.6755 22.6757 k = 0.1806 0.1042 0.3020 ( 764 PWs) bands (ev): -6.9164 -6.9163 -6.9162 -6.9162 5.7964 5.7967 5.7967 5.7970 8.0487 8.0487 8.0489 8.0490 9.3584 9.3584 9.3584 9.3584 20.1978 20.1979 20.1980 20.1981 22.7302 22.7305 22.7312 22.7315 k = 0.1875 0.1083 0.3020 ( 766 PWs) bands (ev): -6.8650 -6.8650 -6.8649 -6.8648 5.7732 5.7734 5.7735 5.7737 7.9398 7.9399 7.9401 7.9401 9.3007 9.3007 9.3008 9.3008 20.1273 20.1274 20.1274 20.1275 22.7803 22.7806 22.7813 22.7815 k = 0.1944 0.1123 0.3020 ( 770 PWs) bands (ev): -6.8120 -6.8119 -6.8118 -6.8118 5.7425 5.7428 5.7428 5.7431 7.8375 7.8376 7.8377 7.8378 9.2429 9.2429 9.2430 9.2430 20.0569 20.0570 20.0571 20.0571 22.8242 22.8245 22.8252 22.8254 k = 0.2014 0.1163 0.3020 ( 770 PWs) bands (ev): -6.7572 -6.7572 -6.7571 -6.7571 5.7033 5.7036 5.7037 5.7039 7.7431 7.7432 7.7434 7.7434 9.1850 9.1850 9.1850 9.1850 19.9868 19.9869 19.9870 19.9870 22.8617 22.8619 22.8625 22.8628 k = 0.2083 0.1203 0.3020 ( 770 PWs) bands (ev): -6.7008 -6.7008 -6.7007 -6.7006 5.6548 5.6550 5.6551 5.6553 7.6577 7.6578 7.6580 7.6581 9.1271 9.1271 9.1271 9.1271 19.9171 19.9172 19.9173 19.9173 22.8923 22.8926 22.8932 22.8934 k = 0.2153 0.1243 0.3020 ( 774 PWs) bands (ev): -6.6428 -6.6427 -6.6426 -6.6426 5.5960 5.5962 5.5963 5.5965 7.5821 7.5822 7.5824 7.5825 9.0693 9.0693 9.0693 9.0693 19.8479 19.8479 19.8480 19.8481 22.9161 22.9163 22.9169 22.9171 k = 0.2222 0.1283 0.3020 ( 774 PWs) bands (ev): -6.5831 -6.5831 -6.5830 -6.5829 5.5267 5.5269 5.5270 5.5272 7.5171 7.5172 7.5174 7.5175 9.0117 9.0118 9.0118 9.0118 19.7793 19.7793 19.7794 19.7794 22.9329 22.9332 22.9336 22.9339 k = 0.2292 0.1323 0.3020 ( 778 PWs) bands (ev): -6.5219 -6.5219 -6.5218 -6.5218 5.4467 5.4469 5.4471 5.4472 7.4627 7.4628 7.4630 7.4631 8.9545 8.9545 8.9545 8.9545 19.7113 19.7113 19.7114 19.7114 22.9428 22.9431 22.9435 22.9437 k = 0.2361 0.1363 0.3020 ( 780 PWs) bands (ev): -6.4592 -6.4592 -6.4591 -6.4590 5.3565 5.3567 5.3569 5.3570 7.4188 7.4190 7.4191 7.4192 8.8977 8.8977 8.8978 8.8978 19.6440 19.6440 19.6441 19.6441 22.9459 22.9461 22.9465 22.9468 k = 0.2431 0.1403 0.3020 ( 780 PWs) bands (ev): -6.3950 -6.3950 -6.3949 -6.3949 5.2567 5.2568 5.2570 5.2572 7.3849 7.3851 7.3852 7.3854 8.8415 8.8415 8.8416 8.8416 19.5775 19.5776 19.5777 19.5777 22.9425 22.9428 22.9431 22.9433 k = 0.2500 0.1443 0.3020 ( 776 PWs) bands (ev): -6.3294 -6.3294 -6.3293 -6.3292 5.1482 5.1483 5.1485 5.1486 7.3603 7.3605 7.3606 7.3608 8.7859 8.7859 8.7860 8.7860 19.5120 19.5120 19.5121 19.5121 22.9329 22.9332 22.9334 22.9337 k = 0.2569 0.1483 0.3020 ( 776 PWs) bands (ev): -6.2625 -6.2624 -6.2623 -6.2623 5.0320 5.0322 5.0323 5.0325 7.3439 7.3441 7.3441 7.3443 8.7310 8.7310 8.7311 8.7311 19.4473 19.4474 19.4475 19.4475 22.9174 22.9177 22.9178 22.9181 k = 0.2639 0.1524 0.3020 ( 776 PWs) bands (ev): -6.1942 -6.1941 -6.1940 -6.1940 4.9093 4.9094 4.9096 4.9097 7.3347 7.3350 7.3350 7.3352 8.6769 8.6769 8.6770 8.6770 19.3837 19.3838 19.3838 19.3839 22.8964 22.8966 22.8967 22.8970 k = 0.2708 0.1564 0.3020 ( 772 PWs) bands (ev): -6.1247 -6.1246 -6.1245 -6.1245 4.7812 4.7813 4.7815 4.7816 7.3319 7.3321 7.3322 7.3324 8.6237 8.6237 8.6237 8.6237 19.3211 19.3212 19.3213 19.3214 22.8702 22.8705 22.8706 22.8708 k = 0.2778 0.1604 0.3020 ( 776 PWs) bands (ev): -6.0540 -6.0539 -6.0538 -6.0538 4.6485 4.6486 4.6488 4.6489 7.3345 7.3347 7.3347 7.3350 8.5714 8.5714 8.5714 8.5714 19.2597 19.2598 19.2598 19.2599 22.8394 22.8397 22.8397 22.8399 k = 0.2847 0.1644 0.3020 ( 776 PWs) bands (ev): -5.9822 -5.9821 -5.9821 -5.9820 4.5124 4.5124 4.5126 4.5127 7.3417 7.3419 7.3420 7.3422 8.5201 8.5201 8.5201 8.5201 19.1994 19.1995 19.1995 19.1996 22.8044 22.8047 22.8047 22.8049 k = 0.2917 0.1684 0.3020 ( 772 PWs) bands (ev): -5.9094 -5.9093 -5.9092 -5.9092 4.3735 4.3736 4.3737 4.3738 7.3528 7.3530 7.3531 7.3533 8.4700 8.4700 8.4700 8.4700 19.1403 19.1404 19.1404 19.1405 22.7657 22.7659 22.7659 22.7662 k = 0.2986 0.1724 0.3020 ( 772 PWs) bands (ev): -5.8356 -5.8356 -5.8355 -5.8355 4.2327 4.2328 4.2329 4.2330 7.3672 7.3674 7.3675 7.3676 8.4209 8.4209 8.4209 8.4209 19.0825 19.0826 19.0826 19.0827 22.7237 22.7239 22.7239 22.7241 k = 0.3056 0.1764 0.3020 ( 772 PWs) bands (ev): -5.7611 -5.7610 -5.7609 -5.7609 4.0906 4.0906 4.0908 4.0908 7.3843 7.3844 7.3846 7.3847 8.3730 8.3730 8.3730 8.3730 19.0260 19.0261 19.0261 19.0262 22.6789 22.6791 22.6791 22.6793 k = 0.3125 0.1804 0.3020 ( 774 PWs) bands (ev): -5.6858 -5.6857 -5.6857 -5.6856 3.9477 3.9478 3.9479 3.9480 7.4035 7.4037 7.4038 7.4040 8.3263 8.3263 8.3264 8.3264 18.9708 18.9709 18.9710 18.9711 22.6317 22.6318 22.6319 22.6320 k = 0.3194 0.1844 0.3020 ( 774 PWs) bands (ev): -5.6099 -5.6098 -5.6098 -5.6097 3.8047 3.8048 3.8049 3.8050 7.4246 7.4247 7.4249 7.4250 8.2810 8.2810 8.2810 8.2810 18.9171 18.9172 18.9172 18.9173 22.5826 22.5827 22.5828 22.5829 k = 0.3264 0.1884 0.3020 ( 774 PWs) bands (ev): -5.5335 -5.5334 -5.5334 -5.5333 3.6620 3.6621 3.6622 3.6623 7.4471 7.4472 7.4474 7.4475 8.2370 8.2370 8.2370 8.2370 18.8648 18.8649 18.8649 18.8650 22.5319 22.5320 22.5321 22.5322 k = 0.3333 0.1925 0.3020 ( 778 PWs) bands (ev): -5.4568 -5.4567 -5.4566 -5.4566 3.5201 3.5201 3.5202 3.5203 7.4707 7.4708 7.4710 7.4712 8.1943 8.1943 8.1943 8.1943 18.8140 18.8141 18.8141 18.8142 22.4802 22.4802 22.4804 22.4804 k = 0.3403 0.1965 0.3020 ( 778 PWs) bands (ev): -5.3798 -5.3798 -5.3797 -5.3797 3.3793 3.3794 3.3795 3.3795 7.4952 7.4953 7.4955 7.4956 8.1531 8.1531 8.1532 8.1532 18.7647 18.7648 18.7648 18.7650 22.4277 22.4277 22.4279 22.4279 k = 0.3472 0.2005 0.3020 ( 774 PWs) bands (ev): -5.3029 -5.3028 -5.3027 -5.3027 3.2401 3.2402 3.2403 3.2403 7.5202 7.5203 7.5205 7.5206 8.1135 8.1135 8.1135 8.1135 18.7170 18.7172 18.7172 18.7173 22.3749 22.3749 22.3751 22.3751 k = 0.3542 0.2045 0.3020 ( 774 PWs) bands (ev): -5.2260 -5.2260 -5.2259 -5.2259 3.1029 3.1029 3.1030 3.1031 7.5456 7.5457 7.5459 7.5460 8.0753 8.0753 8.0754 8.0754 18.6710 18.6711 18.6711 18.6712 22.3221 22.3221 22.3223 22.3223 k = 0.3611 0.2085 0.3020 ( 774 PWs) bands (ev): -5.1496 -5.1495 -5.1494 -5.1494 2.9679 2.9680 2.9680 2.9681 7.5710 7.5711 7.5714 7.5715 8.0387 8.0387 8.0388 8.0388 18.6267 18.6268 18.6268 18.6269 22.2696 22.2696 22.2698 22.2698 k = 0.3681 0.2125 0.3020 ( 774 PWs) bands (ev): -5.0736 -5.0736 -5.0735 -5.0735 2.8357 2.8357 2.8358 2.8358 7.5964 7.5965 7.5968 7.5968 8.0037 8.0037 8.0037 8.0037 18.5840 18.5842 18.5842 18.5843 22.2178 22.2178 22.2180 22.2180 k = 0.3750 0.2165 0.3020 ( 772 PWs) bands (ev): -4.9985 -4.9984 -4.9984 -4.9983 2.7065 2.7065 2.7066 2.7066 7.6216 7.6217 7.6219 7.6220 7.9703 7.9703 7.9703 7.9703 18.5432 18.5433 18.5433 18.5434 22.1670 22.1670 22.1671 22.1672 k = 0.3819 0.2205 0.3020 ( 772 PWs) bands (ev): -4.9244 -4.9244 -4.9243 -4.9242 2.5807 2.5807 2.5808 2.5809 7.6463 7.6464 7.6466 7.6467 7.9385 7.9385 7.9386 7.9386 18.5042 18.5043 18.5043 18.5044 22.1173 22.1174 22.1175 22.1175 k = 0.3889 0.2245 0.3020 ( 768 PWs) bands (ev): -4.8516 -4.8516 -4.8515 -4.8514 2.4588 2.4588 2.4589 2.4589 7.6704 7.6705 7.6708 7.6708 7.9085 7.9085 7.9085 7.9085 18.4671 18.4672 18.4672 18.4673 22.0692 22.0693 22.0694 22.0694 k = 0.3958 0.2285 0.3020 ( 768 PWs) bands (ev): -4.7804 -4.7804 -4.7803 -4.7803 2.3410 2.3411 2.3411 2.3412 7.6938 7.6939 7.6941 7.6942 7.8801 7.8801 7.8801 7.8802 18.4319 18.4320 18.4320 18.4321 22.0229 22.0229 22.0230 22.0231 k = 0.4028 0.2325 0.3020 ( 768 PWs) bands (ev): -4.7112 -4.7111 -4.7111 -4.7110 2.2278 2.2279 2.2279 2.2280 7.7163 7.7164 7.7167 7.7167 7.8535 7.8535 7.8535 7.8535 18.3986 18.3987 18.3987 18.3988 21.9785 21.9785 21.9787 21.9787 k = 0.4097 0.2366 0.3020 ( 772 PWs) bands (ev): -4.6442 -4.6442 -4.6441 -4.6441 2.1196 2.1197 2.1197 2.1198 7.7378 7.7378 7.7381 7.7382 7.8287 7.8287 7.8287 7.8287 18.3674 18.3675 18.3675 18.3676 21.9362 21.9363 21.9364 21.9364 k = 0.4167 0.2406 0.3020 ( 776 PWs) bands (ev): -4.5799 -4.5798 -4.5797 -4.5797 2.0169 2.0169 2.0170 2.0170 7.7580 7.7580 7.7583 7.7584 7.8057 7.8057 7.8057 7.8057 18.3383 18.3384 18.3384 18.3385 21.8964 21.8964 21.8965 21.8966 k = 0.4236 0.2446 0.3020 ( 776 PWs) bands (ev): -4.5185 -4.5185 -4.5184 -4.5184 1.9201 1.9201 1.9201 1.9202 7.7753 7.7754 7.7755 7.7756 7.7862 7.7863 7.7863 7.7864 18.3113 18.3114 18.3114 18.3115 21.8591 21.8591 21.8593 21.8593 k = 0.4306 0.2486 0.3020 ( 776 PWs) bands (ev): -4.4606 -4.4605 -4.4605 -4.4604 1.8295 1.8296 1.8296 1.8296 7.7637 7.7637 7.7637 7.7638 7.7962 7.7963 7.7966 7.7966 18.2865 18.2865 18.2866 18.2866 21.8245 21.8246 21.8247 21.8247 k = 0.4375 0.2526 0.3020 ( 780 PWs) bands (ev): -4.4064 -4.4064 -4.4063 -4.4063 1.7458 1.7458 1.7459 1.7459 7.7462 7.7462 7.7463 7.7463 7.8124 7.8124 7.8127 7.8128 18.2639 18.2639 18.2639 18.2640 21.7928 21.7929 21.7930 21.7930 k = 0.4444 0.2566 0.3020 ( 776 PWs) bands (ev): -4.3565 -4.3565 -4.3564 -4.3564 1.6693 1.6694 1.6694 1.6694 7.7305 7.7305 7.7305 7.7305 7.8274 7.8274 7.8277 7.8278 18.2435 18.2436 18.2436 18.2436 21.7642 21.7642 21.7644 21.7644 k = 0.4514 0.2606 0.3020 ( 776 PWs) bands (ev): -4.3112 -4.3112 -4.3111 -4.3111 1.6005 1.6006 1.6006 1.6006 7.7165 7.7165 7.7165 7.7165 7.8408 7.8408 7.8411 7.8411 18.2254 18.2255 18.2255 18.2255 21.7386 21.7386 21.7388 21.7388 k = 0.4583 0.2646 0.3020 ( 780 PWs) bands (ev): -4.2710 -4.2710 -4.2709 -4.2709 1.5399 1.5399 1.5399 1.5399 7.7042 7.7042 7.7043 7.7043 7.8525 7.8525 7.8528 7.8528 18.2097 18.2097 18.2097 18.2098 21.7162 21.7162 21.7164 21.7164 k = 0.4653 0.2686 0.3020 ( 780 PWs) bands (ev): -4.2362 -4.2362 -4.2361 -4.2361 1.4877 1.4877 1.4878 1.4878 7.6939 7.6939 7.6939 7.6939 7.8625 7.8626 7.8629 7.8629 18.1963 18.1964 18.1964 18.1964 21.6971 21.6971 21.6973 21.6973 k = 0.4722 0.2726 0.3020 ( 780 PWs) bands (ev): -4.2072 -4.2072 -4.2071 -4.2071 1.4445 1.4445 1.4445 1.4446 7.6854 7.6854 7.6855 7.6855 7.8709 7.8709 7.8712 7.8712 18.1854 18.1854 18.1854 18.1854 21.6814 21.6814 21.6816 21.6816 k = 0.4792 0.2766 0.3020 ( 780 PWs) bands (ev): -4.1843 -4.1843 -4.1842 -4.1842 1.4105 1.4105 1.4105 1.4106 7.6788 7.6788 7.6789 7.6789 7.8774 7.8774 7.8777 7.8777 18.1768 18.1768 18.1768 18.1769 21.6691 21.6691 21.6693 21.6693 k = 0.4861 0.2807 0.3020 ( 784 PWs) bands (ev): -4.1678 -4.1678 -4.1677 -4.1677 1.3860 1.3860 1.3860 1.3861 7.6741 7.6741 7.6741 7.6741 7.8820 7.8820 7.8823 7.8823 18.1707 18.1707 18.1707 18.1707 21.6603 21.6603 21.6605 21.6605 k = 0.4931 0.2847 0.3020 ( 784 PWs) bands (ev): -4.1578 -4.1578 -4.1577 -4.1577 1.3712 1.3713 1.3713 1.3713 7.6713 7.6713 7.6713 7.6713 7.8848 7.8848 7.8851 7.8852 18.1670 18.1670 18.1670 18.1670 21.6550 21.6550 21.6552 21.6552 k = 0.5000 0.2887 0.3020 ( 784 PWs) bands (ev): -4.1544 -4.1544 -4.1543 -4.1543 1.3663 1.3663 1.3663 1.3663 7.6703 7.6703 7.6703 7.6703 7.8858 7.8858 7.8861 7.8861 18.1658 18.1658 18.1658 18.1658 21.6533 21.6533 21.6534 21.6534 k = 0.5000 0.2887 0.3020 ( 784 PWs) bands (ev): -4.1544 -4.1544 -4.1543 -4.1543 1.3663 1.3663 1.3663 1.3663 7.6703 7.6703 7.6703 7.6703 7.8858 7.8858 7.8861 7.8861 18.1658 18.1658 18.1658 18.1658 21.6533 21.6533 21.6534 21.6534 k = 0.4960 0.2955 0.3020 ( 784 PWs) bands (ev): -4.1538 -4.1538 -4.1537 -4.1537 1.3673 1.3673 1.3673 1.3673 7.6566 7.6566 7.6579 7.6579 7.8934 7.8937 7.8948 7.8952 18.1704 18.1704 18.1705 18.1705 21.6557 21.6559 21.6559 21.6561 k = 0.4921 0.3024 0.3020 ( 784 PWs) bands (ev): -4.1519 -4.1519 -4.1518 -4.1518 1.3701 1.3701 1.3701 1.3702 7.6213 7.6213 7.6235 7.6235 7.9137 7.9140 7.9160 7.9163 18.1844 18.1844 18.1847 18.1847 21.6633 21.6635 21.6637 21.6638 k = 0.4881 0.3093 0.3020 ( 782 PWs) bands (ev): -4.1487 -4.1486 -4.1486 -4.1485 1.3749 1.3749 1.3749 1.3750 7.5717 7.5717 7.5743 7.5743 7.9394 7.9397 7.9422 7.9425 18.2077 18.2077 18.2080 18.2080 21.6760 21.6762 21.6765 21.6767 k = 0.4841 0.3162 0.3020 ( 786 PWs) bands (ev): -4.1442 -4.1442 -4.1441 -4.1441 1.3815 1.3815 1.3816 1.3816 7.5119 7.5119 7.5146 7.5147 7.9664 7.9667 7.9694 7.9697 18.2398 18.2398 18.2402 18.2402 21.6938 21.6940 21.6945 21.6947 k = 0.4802 0.3230 0.3020 ( 782 PWs) bands (ev): -4.1385 -4.1384 -4.1384 -4.1383 1.3900 1.3900 1.3901 1.3902 7.4440 7.4441 7.4468 7.4469 7.9929 7.9932 7.9960 7.9963 18.2804 18.2804 18.2809 18.2809 21.7168 21.7170 21.7177 21.7179 k = 0.4762 0.3299 0.3020 ( 782 PWs) bands (ev): -4.1315 -4.1314 -4.1314 -4.1313 1.4004 1.4004 1.4006 1.4006 7.3690 7.3691 7.3719 7.3719 8.0180 8.0182 8.0212 8.0214 18.3291 18.3291 18.3297 18.3297 21.7450 21.7451 21.7461 21.7462 k = 0.4722 0.3368 0.3020 ( 776 PWs) bands (ev): -4.1233 -4.1232 -4.1232 -4.1231 1.4127 1.4127 1.4129 1.4129 7.2876 7.2877 7.2904 7.2905 8.0416 8.0418 8.0448 8.0450 18.3853 18.3853 18.3860 18.3860 21.7784 21.7785 21.7796 21.7798 k = 0.4683 0.3437 0.3020 ( 776 PWs) bands (ev): -4.1139 -4.1138 -4.1138 -4.1137 1.4269 1.4269 1.4271 1.4271 7.2000 7.2001 7.2028 7.2029 8.0635 8.0638 8.0667 8.0670 18.4483 18.4483 18.4492 18.4492 21.8168 21.8170 21.8183 21.8185 k = 0.4643 0.3505 0.3020 ( 776 PWs) bands (ev): -4.1033 -4.1032 -4.1032 -4.1031 1.4429 1.4429 1.4432 1.4432 7.1067 7.1068 7.1095 7.1095 8.0840 8.0843 8.0872 8.0875 18.5175 18.5175 18.5184 18.5185 21.8604 21.8606 21.8621 21.8622 k = 0.4603 0.3574 0.3020 ( 776 PWs) bands (ev): -4.0915 -4.0914 -4.0914 -4.0913 1.4608 1.4608 1.4611 1.4611 7.0080 7.0081 7.0107 7.0108 8.1033 8.1035 8.1064 8.1067 18.5921 18.5922 18.5932 18.5932 21.9090 21.9091 21.9108 21.9110 k = 0.4563 0.3643 0.3020 ( 780 PWs) bands (ev): -4.0786 -4.0785 -4.0785 -4.0784 1.4805 1.4805 1.4808 1.4809 6.9042 6.9043 6.9069 6.9069 8.1213 8.1216 8.1245 8.1247 18.6715 18.6715 18.6726 18.6726 21.9623 21.9625 21.9644 21.9646 k = 0.4524 0.3712 0.3020 ( 780 PWs) bands (ev): -4.0646 -4.0645 -4.0645 -4.0644 1.5021 1.5021 1.5024 1.5024 6.7959 6.7959 6.7984 6.7985 8.1384 8.1387 8.1415 8.1418 18.7548 18.7548 18.7560 18.7560 22.0203 22.0204 22.0226 22.0227 k = 0.4484 0.3780 0.3020 ( 784 PWs) bands (ev): -4.0496 -4.0495 -4.0495 -4.0494 1.5255 1.5255 1.5258 1.5259 6.6831 6.6832 6.6856 6.6857 8.1547 8.1549 8.1577 8.1580 18.8412 18.8412 18.8426 18.8426 22.0823 22.0825 22.0848 22.0850 k = 0.4444 0.3849 0.3020 ( 784 PWs) bands (ev): -4.0335 -4.0334 -4.0334 -4.0333 1.5506 1.5506 1.5511 1.5511 6.5666 6.5667 6.5691 6.5691 8.1702 8.1705 8.1733 8.1735 18.9302 18.9302 18.9316 18.9317 22.1480 22.1481 22.1507 22.1508 k = 0.4405 0.3918 0.3020 ( 784 PWs) bands (ev): -4.0165 -4.0164 -4.0163 -4.0162 1.5776 1.5776 1.5780 1.5781 6.4466 6.4467 6.4490 6.4491 8.1851 8.1854 8.1881 8.1884 19.0209 19.0209 19.0224 19.0225 22.2164 22.2165 22.2194 22.2195 k = 0.4365 0.3986 0.3020 ( 784 PWs) bands (ev): -3.9985 -3.9984 -3.9984 -3.9983 1.6063 1.6063 1.6068 1.6068 6.3236 6.3237 6.3260 6.3260 8.1995 8.1998 8.2025 8.2028 19.1127 19.1128 19.1144 19.1144 22.2865 22.2866 22.2897 22.2898 k = 0.4325 0.4055 0.3020 ( 788 PWs) bands (ev): -3.9797 -3.9796 -3.9795 -3.9794 1.6367 1.6367 1.6373 1.6373 6.1980 6.1980 6.2003 6.2003 8.2134 8.2137 8.2164 8.2167 19.2051 19.2052 19.2069 19.2069 22.3569 22.3570 22.3603 22.3605 k = 0.4286 0.4124 0.3020 ( 788 PWs) bands (ev): -3.9601 -3.9600 -3.9599 -3.9598 1.6689 1.6689 1.6695 1.6695 6.0702 6.0703 6.0725 6.0725 8.2270 8.2272 8.2299 8.2302 19.2976 19.2976 19.2994 19.2995 22.4258 22.4260 22.4295 22.4296 k = 0.4246 0.4193 0.3020 ( 784 PWs) bands (ev): -3.9397 -3.9396 -3.9395 -3.9394 1.7027 1.7027 1.7034 1.7034 5.9408 5.9408 5.9430 5.9430 8.2402 8.2404 8.2431 8.2433 19.3896 19.3897 19.3916 19.3916 22.4911 22.4912 22.4950 22.4951 k = 0.4206 0.4261 0.3020 ( 788 PWs) bands (ev): -3.9187 -3.9186 -3.9185 -3.9184 1.7381 1.7382 1.7389 1.7389 5.8098 5.8099 5.8121 5.8121 8.2530 8.2533 8.2559 8.2562 19.4809 19.4810 19.4829 19.4830 22.5501 22.5502 22.5542 22.5542 k = 0.4167 0.4330 0.3020 ( 788 PWs) bands (ev): -3.8971 -3.8970 -3.8969 -3.8968 1.7752 1.7752 1.7760 1.7760 5.6781 5.6781 5.6803 5.6804 8.2656 8.2658 8.2684 8.2687 19.5711 19.5712 19.5732 19.5733 22.5999 22.6000 22.6042 22.6042 k = 0.4127 0.4399 0.3020 ( 790 PWs) bands (ev): -3.8750 -3.8749 -3.8748 -3.8747 1.8138 1.8138 1.8146 1.8146 5.5458 5.5459 5.5481 5.5481 8.2778 8.2781 8.2806 8.2809 19.6601 19.6601 19.6622 19.6623 22.6377 22.6378 22.6421 22.6422 k = 0.4087 0.4468 0.3020 ( 786 PWs) bands (ev): -3.8525 -3.8524 -3.8523 -3.8522 1.8538 1.8538 1.8547 1.8547 5.4136 5.4136 5.4158 5.4159 8.2899 8.2902 8.2927 8.2930 19.7476 19.7477 19.7497 19.7498 22.6612 22.6613 22.6658 22.6659 k = 0.4048 0.4536 0.3020 ( 782 PWs) bands (ev): -3.8297 -3.8296 -3.8295 -3.8294 1.8953 1.8953 1.8963 1.8963 5.2817 5.2818 5.2840 5.2840 8.3016 8.3019 8.3044 8.3047 19.8335 19.8336 19.8357 19.8358 22.6689 22.6690 22.6737 22.6737 k = 0.4008 0.4605 0.3020 ( 780 PWs) bands (ev): -3.8067 -3.8066 -3.8065 -3.8064 1.9381 1.9381 1.9391 1.9392 5.1506 5.1507 5.1529 5.1530 8.3130 8.3133 8.3158 8.3161 19.9178 19.9179 19.9201 19.9201 22.6604 22.6605 22.6653 22.6654 k = 0.3968 0.4674 0.3020 ( 780 PWs) bands (ev): -3.7836 -3.7835 -3.7834 -3.7833 1.9821 1.9821 1.9832 1.9833 5.0208 5.0208 5.0231 5.0232 8.3240 8.3243 8.3268 8.3271 20.0004 20.0005 20.0027 20.0028 22.6367 22.6367 22.6417 22.6418 k = 0.3929 0.4743 0.3020 ( 780 PWs) bands (ev): -3.7606 -3.7605 -3.7603 -3.7602 2.0272 2.0272 2.0285 2.0285 4.8927 4.8927 4.8951 4.8951 8.3346 8.3349 8.3374 8.3377 20.0813 20.0814 20.0836 20.0837 22.5994 22.5994 22.6045 22.6046 k = 0.3889 0.4811 0.3020 ( 780 PWs) bands (ev): -3.7377 -3.7376 -3.7374 -3.7373 2.0733 2.0733 2.0746 2.0746 4.7667 4.7667 4.7691 4.7692 8.3449 8.3452 8.3477 8.3480 20.1605 20.1606 20.1628 20.1629 22.5508 22.5508 22.5560 22.5561 k = 0.3849 0.4880 0.3020 ( 780 PWs) bands (ev): -3.7152 -3.7151 -3.7149 -3.7148 2.1201 2.1201 2.1216 2.1216 4.6433 4.6433 4.6459 4.6459 8.3547 8.3550 8.3575 8.3578 20.2380 20.2381 20.2402 20.2403 22.4932 22.4933 22.4986 22.4987 k = 0.3810 0.4949 0.3020 ( 780 PWs) bands (ev): -3.6931 -3.6930 -3.6928 -3.6927 2.1675 2.1675 2.1691 2.1691 4.5232 4.5232 4.5259 4.5259 8.3641 8.3644 8.3669 8.3672 20.3137 20.3138 20.3159 20.3160 22.4289 22.4290 22.4344 22.4345 k = 0.3770 0.5017 0.3020 ( 780 PWs) bands (ev): -3.6716 -3.6715 -3.6714 -3.6713 2.2152 2.2152 2.2170 2.2170 4.4068 4.4069 4.4096 4.4097 8.3730 8.3733 8.3757 8.3760 20.3876 20.3877 20.3897 20.3898 22.3599 22.3600 22.3656 22.3657 k = 0.3730 0.5086 0.3020 ( 780 PWs) bands (ev): -3.6510 -3.6509 -3.6507 -3.6506 2.2628 2.2628 2.2648 2.2648 4.2949 4.2950 4.2979 4.2979 8.3814 8.3817 8.3841 8.3844 20.4594 20.4595 20.4615 20.4616 22.2880 22.2881 22.2937 22.2938 k = 0.3690 0.5155 0.3020 ( 776 PWs) bands (ev): -3.6314 -3.6313 -3.6311 -3.6310 2.3100 2.3100 2.3122 2.3122 4.1882 4.1883 4.1914 4.1914 8.3891 8.3894 8.3919 8.3922 20.5291 20.5292 20.5310 20.5312 22.2149 22.2150 22.2207 22.2208 k = 0.3651 0.5224 0.3020 ( 776 PWs) bands (ev): -3.6129 -3.6128 -3.6126 -3.6125 2.3561 2.3561 2.3585 2.3585 4.0875 4.0876 4.0909 4.0909 8.3963 8.3966 8.3990 8.3993 20.5962 20.5963 20.5980 20.5982 22.1418 22.1419 22.1478 22.1479 k = 0.3611 0.5292 0.3020 ( 776 PWs) bands (ev): -3.5958 -3.5957 -3.5955 -3.5954 2.4004 2.4004 2.4031 2.4031 3.9938 3.9939 3.9974 3.9974 8.4028 8.4031 8.4055 8.4058 20.6602 20.6604 20.6619 20.6621 22.0704 22.0705 22.0765 22.0766 k = 0.3571 0.5361 0.3020 ( 776 PWs) bands (ev): -3.5803 -3.5802 -3.5799 -3.5799 2.4422 2.4422 2.4451 2.4451 3.9083 3.9083 3.9121 3.9121 8.4085 8.4088 8.4112 8.4116 20.7205 20.7207 20.7221 20.7222 22.0021 22.0022 22.0084 22.0085 k = 0.3532 0.5430 0.3020 ( 776 PWs) bands (ev): -3.5665 -3.5664 -3.5662 -3.5661 2.4804 2.4804 2.4836 2.4836 3.8323 3.8323 3.8364 3.8364 8.4135 8.4138 8.4162 8.4166 20.7761 20.7762 20.7774 20.7775 21.9387 21.9388 21.9451 21.9452 k = 0.3492 0.5499 0.3020 ( 776 PWs) bands (ev): -3.5548 -3.5547 -3.5545 -3.5544 2.5138 2.5138 2.5172 2.5173 3.7673 3.7673 3.7716 3.7716 8.4177 8.4180 8.4204 8.4207 20.8255 20.8256 20.8266 20.8267 21.8819 21.8820 21.8886 21.8887 k = 0.3452 0.5567 0.3020 ( 776 PWs) bands (ev): -3.5453 -3.5452 -3.5450 -3.5449 2.5411 2.5411 2.5448 2.5448 3.7148 3.7149 3.7194 3.7195 8.4211 8.4214 8.4238 8.4241 20.8670 20.8672 20.8679 20.8681 21.8341 21.8342 21.8409 21.8410 k = 0.3413 0.5636 0.3020 ( 780 PWs) bands (ev): -3.5383 -3.5382 -3.5379 -3.5379 2.5611 2.5611 2.5651 2.5651 3.6764 3.6764 3.6812 3.6812 8.4235 8.4238 8.4262 8.4265 20.8987 20.8989 20.8993 20.8995 21.7975 21.7976 21.8046 21.8047 k = 0.3373 0.5705 0.3020 ( 780 PWs) bands (ev): -3.5339 -3.5338 -3.5336 -3.5335 2.5732 2.5732 2.5773 2.5773 3.6532 3.6532 3.6581 3.6581 8.4249 8.4253 8.4277 8.4280 20.9185 20.9187 20.9189 20.9192 21.7746 21.7747 21.7818 21.7819 k = 0.3333 0.5774 0.3020 ( 780 PWs) bands (ev): -3.5324 -3.5323 -3.5321 -3.5320 2.5771 2.5771 2.5812 2.5813 3.6455 3.6455 3.6505 3.6505 8.4254 8.4258 8.4282 8.4285 20.9252 20.9254 20.9256 20.9258 21.7668 21.7669 21.7740 21.7742 k = 0.3333 0.5774 0.3020 ( 780 PWs) bands (ev): -3.5324 -3.5323 -3.5321 -3.5320 2.5771 2.5771 2.5812 2.5813 3.6455 3.6455 3.6505 3.6505 8.4254 8.4258 8.4282 8.4285 20.9252 20.9254 20.9256 20.9258 21.7668 21.7669 21.7740 21.7742 k = 0.3293 0.5704 0.3020 ( 780 PWs) bands (ev): -3.5340 -3.5339 -3.5337 -3.5336 2.5735 2.5735 2.5776 2.5776 3.6531 3.6531 3.6580 3.6580 8.4249 8.4252 8.4276 8.4279 20.9186 20.9188 20.9190 20.9193 21.7746 21.7747 21.7818 21.7819 k = 0.3253 0.5634 0.3020 ( 780 PWs) bands (ev): -3.5390 -3.5389 -3.5386 -3.5385 2.5636 2.5636 2.5676 2.5676 3.6749 3.6749 3.6797 3.6797 8.4233 8.4236 8.4260 8.4263 20.9000 20.9002 20.9006 20.9008 21.7968 21.7969 21.8039 21.8040 k = 0.3213 0.5565 0.3020 ( 780 PWs) bands (ev): -3.5475 -3.5474 -3.5471 -3.5470 2.5495 2.5495 2.5533 2.5533 3.7092 3.7093 3.7139 3.7139 8.4206 8.4209 8.4233 8.4236 20.8719 20.8721 20.8726 20.8728 21.8312 21.8313 21.8381 21.8382 k = 0.3173 0.5495 0.3020 ( 776 PWs) bands (ev): -3.5596 -3.5595 -3.5593 -3.5592 2.5332 2.5332 2.5368 2.5368 3.7542 3.7542 3.7587 3.7587 8.4167 8.4170 8.4194 8.4197 20.8369 20.8371 20.8377 20.8379 21.8753 21.8754 21.8820 21.8821 k = 0.3133 0.5426 0.3020 ( 776 PWs) bands (ev): -3.5756 -3.5755 -3.5753 -3.5752 2.5165 2.5165 2.5198 2.5198 3.8080 3.8080 3.8122 3.8123 8.4116 8.4119 8.4144 8.4147 20.7973 20.7975 20.7983 20.7985 21.9265 21.9266 21.9330 21.9331 k = 0.3092 0.5356 0.3020 ( 776 PWs) bands (ev): -3.5956 -3.5955 -3.5953 -3.5952 2.5011 2.5011 2.5042 2.5042 3.8691 3.8691 3.8731 3.8732 8.4054 8.4057 8.4081 8.4084 20.7553 20.7555 20.7564 20.7566 21.9831 21.9832 21.9894 21.9896 k = 0.3052 0.5287 0.3020 ( 776 PWs) bands (ev): -3.6195 -3.6194 -3.6192 -3.6191 2.4883 2.4883 2.4912 2.4912 3.9363 3.9363 3.9401 3.9401 8.3979 8.3982 8.4006 8.4009 20.7122 20.7124 20.7134 20.7136 22.0435 22.0436 22.0497 22.0498 k = 0.3012 0.5217 0.3020 ( 776 PWs) bands (ev): -3.6475 -3.6474 -3.6472 -3.6471 2.4792 2.4792 2.4819 2.4819 4.0085 4.0085 4.0121 4.0122 8.3892 8.3895 8.3919 8.3922 20.6691 20.6693 20.6703 20.6705 22.1066 22.1067 22.1126 22.1128 k = 0.2972 0.5147 0.3020 ( 778 PWs) bands (ev): -3.6795 -3.6794 -3.6792 -3.6792 2.4745 2.4745 2.4770 2.4770 4.0849 4.0850 4.0885 4.0885 8.3792 8.3795 8.3819 8.3822 20.6268 20.6270 20.6281 20.6282 22.1715 22.1716 22.1774 22.1775 k = 0.2932 0.5078 0.3020 ( 774 PWs) bands (ev): -3.7156 -3.7155 -3.7153 -3.7152 2.4748 2.4748 2.4772 2.4772 4.1651 4.1651 4.1685 4.1685 8.3680 8.3683 8.3708 8.3711 20.5859 20.5861 20.5872 20.5874 22.2375 22.2376 22.2433 22.2434 k = 0.2892 0.5008 0.3020 ( 774 PWs) bands (ev): -3.7556 -3.7555 -3.7553 -3.7553 2.4805 2.4805 2.4828 2.4828 4.2484 4.2484 4.2517 4.2517 8.3556 8.3559 8.3584 8.3587 20.5469 20.5471 20.5482 20.5484 22.3039 22.3040 22.3096 22.3097 k = 0.2851 0.4939 0.3020 ( 778 PWs) bands (ev): -3.7995 -3.7994 -3.7993 -3.7992 2.4918 2.4918 2.4940 2.4940 4.3344 4.3345 4.3376 4.3376 8.3420 8.3423 8.3447 8.3450 20.5100 20.5101 20.5113 20.5114 22.3702 22.3703 22.3758 22.3759 k = 0.2811 0.4869 0.3020 ( 778 PWs) bands (ev): -3.8472 -3.8471 -3.8469 -3.8468 2.5090 2.5090 2.5111 2.5111 4.4229 4.4230 4.4260 4.4261 8.3272 8.3275 8.3299 8.3302 20.4754 20.4756 20.4767 20.4769 22.4360 22.4361 22.4415 22.4416 k = 0.2771 0.4800 0.3020 ( 778 PWs) bands (ev): -3.8984 -3.8983 -3.8981 -3.8980 2.5322 2.5322 2.5341 2.5341 4.5136 4.5136 4.5167 4.5167 8.3112 8.3115 8.3140 8.3143 20.4434 20.4436 20.4447 20.4449 22.5007 22.5009 22.5062 22.5063 k = 0.2731 0.4730 0.3020 ( 778 PWs) bands (ev): -3.9530 -3.9530 -3.9528 -3.9527 2.5612 2.5612 2.5630 2.5630 4.6063 4.6063 4.6093 4.6093 8.2941 8.2944 8.2969 8.2972 20.4141 20.4142 20.4153 20.4154 22.5640 22.5641 22.5693 22.5694 k = 0.2691 0.4661 0.3020 ( 778 PWs) bands (ev): -4.0109 -4.0108 -4.0107 -4.0106 2.5961 2.5961 2.5978 2.5978 4.7007 4.7007 4.7036 4.7036 8.2760 8.2762 8.2787 8.2790 20.3874 20.3876 20.3886 20.3887 22.6252 22.6253 22.6304 22.6305 k = 0.2651 0.4591 0.3020 ( 778 PWs) bands (ev): -4.0718 -4.0717 -4.0716 -4.0715 2.6367 2.6367 2.6384 2.6384 4.7967 4.7967 4.7996 4.7996 8.2568 8.2571 8.2596 8.2598 20.3635 20.3637 20.3646 20.3648 22.6838 22.6839 22.6889 22.6890 k = 0.2610 0.4521 0.3020 ( 778 PWs) bands (ev): -4.1355 -4.1354 -4.1353 -4.1352 2.6830 2.6830 2.6846 2.6846 4.8941 4.8941 4.8970 4.8970 8.2366 8.2369 8.2394 8.2397 20.3424 20.3425 20.3434 20.3436 22.7393 22.7394 22.7442 22.7444 k = 0.2570 0.4452 0.3020 ( 778 PWs) bands (ev): -4.2018 -4.2017 -4.2016 -4.2015 2.7347 2.7347 2.7362 2.7362 4.9928 4.9929 4.9957 4.9958 8.2156 8.2159 8.2184 8.2187 20.3239 20.3241 20.3250 20.3251 22.7910 22.7911 22.7958 22.7959 k = 0.2530 0.4382 0.3020 ( 778 PWs) bands (ev): -4.2704 -4.2704 -4.2703 -4.2702 2.7916 2.7916 2.7931 2.7931 5.0927 5.0928 5.0956 5.0956 8.1938 8.1941 8.1966 8.1969 20.3082 20.3084 20.3092 20.3093 22.8383 22.8384 22.8429 22.8430 k = 0.2490 0.4313 0.3020 ( 774 PWs) bands (ev): -4.3412 -4.3411 -4.3410 -4.3409 2.8537 2.8537 2.8551 2.8551 5.1937 5.1937 5.1966 5.1966 8.1713 8.1716 8.1742 8.1744 20.2952 20.2953 20.2961 20.2962 22.8804 22.8806 22.8849 22.8850 k = 0.2450 0.4243 0.3020 ( 778 PWs) bands (ev): -4.4138 -4.4137 -4.4136 -4.4135 2.9206 2.9206 2.9219 2.9219 5.2954 5.2955 5.2984 5.2984 8.1482 8.1485 8.1511 8.1514 20.2847 20.2848 20.2855 20.2856 22.9167 22.9168 22.9209 22.9210 k = 0.2410 0.4174 0.3020 ( 778 PWs) bands (ev): -4.4881 -4.4880 -4.4879 -4.4878 2.9920 2.9920 2.9933 2.9933 5.3980 5.3980 5.4009 5.4010 8.1246 8.1249 8.1276 8.1278 20.2767 20.2768 20.2775 20.2776 22.9464 22.9465 22.9503 22.9505 k = 0.2369 0.4104 0.3020 ( 778 PWs) bands (ev): -4.5638 -4.5637 -4.5637 -4.5636 3.0678 3.0679 3.0691 3.0691 5.5011 5.5012 5.5041 5.5042 8.1007 8.1010 8.1037 8.1040 20.2712 20.2713 20.2720 20.2720 22.9689 22.9691 22.9726 22.9728 k = 0.2329 0.4034 0.3020 ( 778 PWs) bands (ev): -4.6408 -4.6407 -4.6406 -4.6405 3.1478 3.1478 3.1491 3.1491 5.6047 5.6048 5.6078 5.6078 8.0766 8.0769 8.0797 8.0799 20.2680 20.2681 20.2687 20.2688 22.9838 22.9839 22.9872 22.9873 k = 0.2289 0.3965 0.3020 ( 778 PWs) bands (ev): -4.7187 -4.7186 -4.7186 -4.7185 3.2317 3.2317 3.2329 3.2329 5.7087 5.7087 5.7118 5.7118 8.0526 8.0528 8.0557 8.0559 20.2671 20.2671 20.2678 20.2678 22.9905 22.9906 22.9936 22.9938 k = 0.2249 0.3895 0.3020 ( 778 PWs) bands (ev): -4.7975 -4.7974 -4.7974 -4.7973 3.3192 3.3193 3.3204 3.3204 5.8127 5.8127 5.8159 5.8159 8.0287 8.0289 8.0319 8.0321 20.2682 20.2683 20.2689 20.2690 22.9890 22.9892 22.9919 22.9920 k = 0.2209 0.3826 0.3020 ( 786 PWs) bands (ev): -4.8770 -4.8769 -4.8768 -4.8767 3.4101 3.4101 3.4113 3.4113 5.9167 5.9167 5.9200 5.9200 8.0052 8.0054 8.0084 8.0087 20.2713 20.2714 20.2720 20.2721 22.9794 22.9796 22.9820 22.9822 k = 0.2169 0.3756 0.3020 ( 782 PWs) bands (ev): -4.9568 -4.9567 -4.9567 -4.9566 3.5042 3.5042 3.5054 3.5054 6.0204 6.0205 6.0238 6.0239 7.9825 7.9827 7.9859 7.9861 20.2764 20.2765 20.2771 20.2772 22.9621 22.9623 22.9646 22.9648 k = 0.2129 0.3687 0.3020 ( 782 PWs) bands (ev): -5.0370 -5.0369 -5.0369 -5.0368 3.6012 3.6012 3.6023 3.6023 6.1236 6.1237 6.1272 6.1272 7.9608 7.9610 7.9643 7.9645 20.2832 20.2833 20.2840 20.2841 22.9377 22.9379 22.9401 22.9403 k = 0.2088 0.3617 0.3020 ( 778 PWs) bands (ev): -5.1173 -5.1172 -5.1172 -5.1171 3.7009 3.7009 3.7020 3.7020 6.2261 6.2261 6.2297 6.2298 7.9405 7.9407 7.9441 7.9443 20.2917 20.2918 20.2925 20.2927 22.9070 22.9072 22.9093 22.9095 k = 0.2048 0.3548 0.3020 ( 774 PWs) bands (ev): -5.1976 -5.1975 -5.1975 -5.1974 3.8029 3.8029 3.8039 3.8040 6.3274 6.3274 6.3312 6.3312 7.9220 7.9222 7.9257 7.9259 20.3017 20.3018 20.3026 20.3027 22.8709 22.8711 22.8731 22.8733 k = 0.2008 0.3478 0.3020 ( 778 PWs) bands (ev): -5.2778 -5.2777 -5.2776 -5.2775 3.9069 3.9069 3.9079 3.9080 6.4271 6.4271 6.4310 6.4311 7.9058 7.9060 7.9097 7.9098 20.3131 20.3132 20.3141 20.3142 22.8301 22.8303 22.8324 22.8326 k = 0.1968 0.3408 0.3020 ( 778 PWs) bands (ev): -5.3576 -5.3575 -5.3575 -5.3574 4.0127 4.0128 4.0138 4.0138 6.5247 6.5248 6.5289 6.5289 7.8926 7.8927 7.8965 7.8967 20.3258 20.3260 20.3269 20.3271 22.7857 22.7859 22.7880 22.7882 k = 0.1928 0.3339 0.3020 ( 778 PWs) bands (ev): -5.4371 -5.4370 -5.4369 -5.4369 4.1200 4.1200 4.1210 4.1211 6.6198 6.6199 6.6242 6.6242 7.8830 7.8831 7.8871 7.8873 20.3398 20.3400 20.3410 20.3412 22.7384 22.7386 22.7407 22.7409 k = 0.1888 0.3269 0.3020 ( 778 PWs) bands (ev): -5.5160 -5.5159 -5.5159 -5.5158 4.2284 4.2284 4.2294 4.2294 6.7116 6.7116 6.7161 6.7162 7.8779 7.8780 7.8822 7.8824 20.3548 20.3550 20.3562 20.3563 22.6889 22.6891 22.6912 22.6914 k = 0.1847 0.3200 0.3020 ( 782 PWs) bands (ev): -5.5943 -5.5942 -5.5942 -5.5941 4.3375 4.3375 4.3385 4.3385 6.7993 6.7993 6.8040 6.8040 7.8783 7.8784 7.8828 7.8829 20.3709 20.3711 20.3723 20.3725 22.6378 22.6380 22.6402 22.6404 k = 0.1807 0.3130 0.3020 ( 778 PWs) bands (ev): -5.6719 -5.6718 -5.6717 -5.6717 4.4469 4.4470 4.4479 4.4480 6.8821 6.8822 6.8870 6.8871 7.8854 7.8855 7.8900 7.8901 20.3879 20.3881 20.3894 20.3896 22.5858 22.5860 22.5882 22.5884 k = 0.1767 0.3061 0.3020 ( 778 PWs) bands (ev): -5.7486 -5.7485 -5.7485 -5.7484 4.5562 4.5563 4.5572 4.5573 6.9592 6.9592 6.9642 6.9643 7.9001 7.9002 7.9049 7.9050 20.4057 20.4059 20.4074 20.4076 22.5332 22.5334 22.5357 22.5359 k = 0.1727 0.2991 0.3020 ( 778 PWs) bands (ev): -5.8245 -5.8244 -5.8243 -5.8243 4.6649 4.6650 4.6658 4.6659 7.0298 7.0298 7.0349 7.0349 7.9237 7.9238 7.9285 7.9286 20.4244 20.4246 20.4261 20.4263 22.4805 22.4807 22.4830 22.4832 k = 0.1687 0.2922 0.3020 ( 778 PWs) bands (ev): -5.8993 -5.8992 -5.8992 -5.8991 4.7724 4.7724 4.7733 4.7734 7.0935 7.0936 7.0986 7.0987 7.9569 7.9570 7.9617 7.9617 20.4438 20.4439 20.4456 20.4458 22.4280 22.4282 22.4305 22.4307 k = 0.1647 0.2852 0.3020 ( 774 PWs) bands (ev): -5.9731 -5.9730 -5.9730 -5.9729 4.8781 4.8782 4.8790 4.8791 7.1507 7.1508 7.1557 7.1557 7.9999 7.9999 8.0045 8.0045 20.4638 20.4640 20.4658 20.4660 22.3760 22.3762 22.3785 22.3787 k = 0.1606 0.2782 0.3020 ( 770 PWs) bands (ev): -6.0458 -6.0457 -6.0456 -6.0456 4.9813 4.9814 4.9822 4.9823 7.2022 7.2023 7.2069 7.2070 8.0523 8.0524 8.0567 8.0567 20.4845 20.4847 20.4866 20.4868 22.3247 22.3249 22.3271 22.3273 k = 0.1566 0.2713 0.3020 ( 766 PWs) bands (ev): -6.1172 -6.1171 -6.1171 -6.1170 5.0814 5.0815 5.0823 5.0824 7.2494 7.2495 7.2538 7.2539 8.1132 8.1132 8.1173 8.1173 20.5059 20.5061 20.5081 20.5083 22.2742 22.2744 22.2767 22.2769 k = 0.1526 0.2643 0.3020 ( 766 PWs) bands (ev): -6.1874 -6.1873 -6.1873 -6.1872 5.1774 5.1775 5.1783 5.1784 7.2941 7.2941 7.2982 7.2982 8.1813 8.1813 8.1850 8.1850 20.5279 20.5280 20.5301 20.5303 22.2248 22.2250 22.2272 22.2274 k = 0.1486 0.2574 0.3020 ( 766 PWs) bands (ev): -6.2563 -6.2562 -6.2561 -6.2561 5.2687 5.2688 5.2695 5.2697 7.3383 7.3383 7.3421 7.3421 8.2552 8.2552 8.2586 8.2586 20.5504 20.5505 20.5527 20.5529 22.1764 22.1766 22.1789 22.1791 k = 0.1446 0.2504 0.3020 ( 766 PWs) bands (ev): -6.3238 -6.3237 -6.3237 -6.3236 5.3544 5.3545 5.3552 5.3553 7.3840 7.3840 7.3874 7.3874 8.3335 8.3335 8.3366 8.3366 20.5735 20.5736 20.5759 20.5761 22.1294 22.1296 22.1318 22.1320 k = 0.1406 0.2435 0.3020 ( 766 PWs) bands (ev): -6.3899 -6.3898 -6.3897 -6.3897 5.4337 5.4339 5.4345 5.4347 7.4329 7.4329 7.4360 7.4360 8.4151 8.4151 8.4178 8.4179 20.5972 20.5973 20.5997 20.5999 22.0836 22.0838 22.0860 22.0862 k = 0.1365 0.2365 0.3020 ( 766 PWs) bands (ev): -6.4545 -6.4544 -6.4544 -6.4543 5.5061 5.5063 5.5068 5.5070 7.4865 7.4865 7.4893 7.4893 8.4989 8.4989 8.5014 8.5014 20.6215 20.6217 20.6241 20.6243 22.0392 22.0394 22.0415 22.0417 k = 0.1325 0.2295 0.3020 ( 768 PWs) bands (ev): -6.5176 -6.5176 -6.5175 -6.5174 5.5710 5.5712 5.5717 5.5719 7.5459 7.5459 7.5483 7.5484 8.5841 8.5841 8.5863 8.5863 20.6465 20.6466 20.6492 20.6493 21.9961 21.9963 21.9984 21.9986 k = 0.1285 0.2226 0.3020 ( 768 PWs) bands (ev): -6.5792 -6.5791 -6.5790 -6.5790 5.6281 5.6283 5.6287 5.6289 7.6118 7.6118 7.6140 7.6140 8.6699 8.6699 8.6719 8.6719 20.6721 20.6723 20.6749 20.6750 21.9545 21.9547 21.9568 21.9570 k = 0.1245 0.2156 0.3020 ( 766 PWs) bands (ev): -6.6391 -6.6391 -6.6390 -6.6389 5.6773 5.6775 5.6779 5.6781 7.6847 7.6847 7.6867 7.6867 8.7559 8.7559 8.7577 8.7577 20.6984 20.6986 20.7013 20.7015 21.9143 21.9145 21.9165 21.9167 k = 0.1205 0.2087 0.3020 ( 766 PWs) bands (ev): -6.6975 -6.6974 -6.6973 -6.6973 5.7189 5.7191 5.7194 5.7197 7.7645 7.7645 7.7663 7.7663 8.8415 8.8415 8.8431 8.8431 20.7255 20.7257 20.7284 20.7286 21.8755 21.8757 21.8777 21.8779 k = 0.1165 0.2017 0.3020 ( 770 PWs) bands (ev): -6.7542 -6.7541 -6.7540 -6.7540 5.7532 5.7534 5.7536 5.7539 7.8510 7.8511 7.8526 7.8527 8.9264 8.9264 8.9278 8.9278 20.7533 20.7535 20.7563 20.7564 21.8381 21.8383 21.8403 21.8405 k = 0.1124 0.1948 0.3020 ( 770 PWs) bands (ev): -6.8092 -6.8091 -6.8090 -6.8090 5.7807 5.7809 5.7811 5.7814 7.9438 7.9439 7.9453 7.9453 9.0102 9.0102 9.0115 9.0115 20.7819 20.7820 20.7849 20.7850 21.8022 21.8024 21.8043 21.8045 k = 0.1084 0.1878 0.3020 ( 770 PWs) bands (ev): -6.8624 -6.8624 -6.8623 -6.8623 5.8021 5.8023 5.8025 5.8027 8.0423 8.0423 8.0436 8.0436 9.0926 9.0926 9.0938 9.0938 20.8113 20.8114 20.8143 20.8145 21.7676 21.7678 21.7697 21.7698 k = 0.1044 0.1809 0.3020 ( 770 PWs) bands (ev): -6.9140 -6.9139 -6.9138 -6.9138 5.8180 5.8183 5.8184 5.8186 8.1456 8.1457 8.1468 8.1468 9.1735 9.1735 9.1745 9.1746 20.8414 20.8416 20.8445 20.8446 21.7344 21.7346 21.7364 21.7366 k = 0.1004 0.1739 0.3020 ( 770 PWs) bands (ev): -6.9638 -6.9637 -6.9636 -6.9636 5.8292 5.8294 5.8295 5.8298 8.2531 8.2532 8.2542 8.2542 9.2525 9.2525 9.2535 9.2535 20.8724 20.8725 20.8755 20.8756 21.7025 21.7027 21.7045 21.7046 k = 0.0964 0.1669 0.3020 ( 770 PWs) bands (ev): -7.0117 -7.0117 -7.0116 -7.0116 5.8363 5.8366 5.8367 5.8369 8.3638 8.3639 8.3648 8.3648 9.3295 9.3296 9.3304 9.3305 20.9041 20.9042 20.9072 20.9073 21.6719 21.6721 21.6738 21.6740 k = 0.0924 0.1600 0.3020 ( 770 PWs) bands (ev): -7.0579 -7.0579 -7.0578 -7.0577 5.8401 5.8403 5.8404 5.8407 8.4770 8.4771 8.4779 8.4779 9.4044 9.4044 9.4052 9.4053 20.9365 20.9367 20.9397 20.9398 21.6426 21.6428 21.6445 21.6446 k = 0.0884 0.1530 0.3020 ( 768 PWs) bands (ev): -7.1022 -7.1022 -7.1021 -7.1020 5.8410 5.8412 5.8413 5.8416 8.5920 8.5920 8.5928 8.5928 9.4770 9.4770 9.4777 9.4777 20.9697 20.9698 20.9728 20.9729 21.6145 21.6147 21.6163 21.6165 k = 0.0843 0.1461 0.3020 ( 768 PWs) bands (ev): -7.1447 -7.1447 -7.1446 -7.1445 5.8396 5.8398 5.8399 5.8401 8.7080 8.7080 8.7086 8.7087 9.5471 9.5471 9.5478 9.5478 21.0034 21.0035 21.0065 21.0067 21.5876 21.5878 21.5894 21.5896 k = 0.0803 0.1391 0.3020 ( 768 PWs) bands (ev): -7.1853 -7.1853 -7.1852 -7.1851 5.8362 5.8364 5.8365 5.8367 8.8242 8.8242 8.8248 8.8248 9.6146 9.6146 9.6152 9.6152 21.0376 21.0378 21.0407 21.0409 21.5619 21.5621 21.5637 21.5638 k = 0.0763 0.1322 0.3020 ( 768 PWs) bands (ev): -7.2240 -7.2240 -7.2239 -7.2239 5.8314 5.8316 5.8317 5.8319 8.9401 8.9401 8.9406 8.9406 9.6794 9.6794 9.6800 9.6800 21.0722 21.0723 21.0753 21.0754 21.5373 21.5375 21.5391 21.5392 k = 0.0723 0.1252 0.3020 ( 768 PWs) bands (ev): -7.2609 -7.2608 -7.2607 -7.2607 5.8254 5.8256 5.8257 5.8259 9.0549 9.0549 9.0554 9.0554 9.7414 9.7414 9.7419 9.7420 21.1070 21.1071 21.1100 21.1101 21.5138 21.5140 21.5156 21.5158 k = 0.0683 0.1183 0.3020 ( 772 PWs) bands (ev): -7.2958 -7.2957 -7.2956 -7.2956 5.8185 5.8186 5.8188 5.8189 9.1680 9.1680 9.1685 9.1685 9.8006 9.8006 9.8011 9.8011 21.1416 21.1417 21.1446 21.1448 21.4914 21.4916 21.4933 21.4934 k = 0.0643 0.1113 0.3020 ( 772 PWs) bands (ev): -7.3287 -7.3287 -7.3286 -7.3286 5.8110 5.8112 5.8113 5.8115 9.2789 9.2790 9.2794 9.2794 9.8567 9.8567 9.8572 9.8572 21.1759 21.1760 21.1789 21.1790 21.4702 21.4704 21.4721 21.4723 k = 0.0602 0.1043 0.3020 ( 772 PWs) bands (ev): -7.3598 -7.3597 -7.3596 -7.3596 5.8032 5.8033 5.8035 5.8036 9.3870 9.3871 9.3875 9.3875 9.9097 9.9098 9.9102 9.9102 21.2093 21.2094 21.2123 21.2125 21.4503 21.4505 21.4524 21.4525 k = 0.0562 0.0974 0.3020 ( 772 PWs) bands (ev): -7.3889 -7.3888 -7.3887 -7.3887 5.7952 5.7953 5.7955 5.7956 9.4917 9.4918 9.4921 9.4921 9.9596 9.9597 9.9601 9.9601 21.2410 21.2411 21.2441 21.2442 21.4322 21.4324 21.4345 21.4346 k = 0.0522 0.0904 0.3020 ( 776 PWs) bands (ev): -7.4160 -7.4160 -7.4158 -7.4158 5.7871 5.7872 5.7875 5.7876 9.5923 9.5923 9.5927 9.5927 10.0063 10.0064 10.0067 10.0068 21.2694 21.2695 21.2726 21.2727 21.4170 21.4171 21.4195 21.4196 k = 0.0482 0.0835 0.3020 ( 776 PWs) bands (ev): -7.4411 -7.4411 -7.4410 -7.4409 5.7792 5.7793 5.7796 5.7797 9.6884 9.6884 9.6887 9.6888 10.0498 10.0499 10.0502 10.0502 21.2916 21.2916 21.2948 21.2949 21.4074 21.4075 21.4102 21.4103 k = 0.0442 0.0765 0.3020 ( 772 PWs) bands (ev): -7.4643 -7.4643 -7.4641 -7.4641 5.7716 5.7717 5.7719 5.7720 9.7794 9.7795 9.7797 9.7798 10.0901 10.0901 10.0904 10.0905 21.3025 21.3025 21.3053 21.3054 21.4082 21.4083 21.4110 21.4111 k = 0.0402 0.0696 0.3020 ( 772 PWs) bands (ev): -7.4854 -7.4854 -7.4853 -7.4853 5.7643 5.7644 5.7646 5.7647 9.8647 9.8647 9.8650 9.8650 10.1269 10.1269 10.1272 10.1272 21.2998 21.2999 21.3019 21.3020 21.4212 21.4212 21.4235 21.4236 k = 0.0361 0.0626 0.3020 ( 772 PWs) bands (ev): -7.5046 -7.5046 -7.5045 -7.5044 5.7575 5.7575 5.7578 5.7579 9.9437 9.9438 9.9440 9.9441 10.1603 10.1604 10.1606 10.1606 21.2877 21.2878 21.2891 21.2893 21.4414 21.4415 21.4434 21.4435 k = 0.0321 0.0556 0.3020 ( 768 PWs) bands (ev): -7.5218 -7.5218 -7.5216 -7.5216 5.7512 5.7513 5.7515 5.7516 10.0161 10.0162 10.0163 10.0164 10.1903 10.1904 10.1906 10.1906 21.2706 21.2708 21.2716 21.2718 21.4640 21.4642 21.4657 21.4658 k = 0.0281 0.0487 0.3020 ( 768 PWs) bands (ev): -7.5370 -7.5369 -7.5368 -7.5368 5.7455 5.7455 5.7458 5.7459 10.0812 10.0813 10.0814 10.0815 10.2169 10.2170 10.2171 10.2172 21.2510 21.2512 21.2517 21.2519 21.4864 21.4865 21.4878 21.4879 k = 0.0241 0.0417 0.3020 ( 764 PWs) bands (ev): -7.5501 -7.5501 -7.5499 -7.5499 5.7404 5.7405 5.7408 5.7408 10.1387 10.1388 10.1389 10.1390 10.2400 10.2401 10.2402 10.2403 21.2303 21.2305 21.2309 21.2311 21.5072 21.5074 21.5084 21.5086 k = 0.0201 0.0348 0.3020 ( 768 PWs) bands (ev): -7.5613 -7.5612 -7.5611 -7.5611 5.7361 5.7361 5.7364 5.7364 10.1880 10.1880 10.1881 10.1882 10.2596 10.2597 10.2597 10.2598 21.2099 21.2101 21.2103 21.2105 21.5257 21.5259 21.5267 21.5269 k = 0.0161 0.0278 0.3020 ( 768 PWs) bands (ev): -7.5704 -7.5704 -7.5702 -7.5702 5.7325 5.7325 5.7328 5.7328 10.2286 10.2287 10.2288 10.2288 10.2759 10.2760 10.2760 10.2761 21.1909 21.1911 21.1913 21.1915 21.5415 21.5416 21.5423 21.5424 k = 0.0120 0.0209 0.3020 ( 768 PWs) bands (ev): -7.5775 -7.5775 -7.5773 -7.5773 5.7296 5.7297 5.7300 5.7300 10.2602 10.2603 10.2603 10.2604 10.2889 10.2890 10.2890 10.2891 21.1747 21.1749 21.1749 21.1751 21.5540 21.5541 21.5546 21.5548 k = 0.0080 0.0139 0.3020 ( 772 PWs) bands (ev): -7.5825 -7.5825 -7.5824 -7.5824 5.7276 5.7276 5.7279 5.7279 10.2819 10.2819 10.2820 10.2820 10.2992 10.2992 10.2993 10.2993 21.1622 21.1623 21.1624 21.1625 21.5629 21.5631 21.5633 21.5635 k = 0.0040 0.0070 0.3020 ( 772 PWs) bands (ev): -7.5856 -7.5856 -7.5854 -7.5854 5.7263 5.7264 5.7267 5.7267 10.2936 10.2936 10.2937 10.2937 10.3068 10.3068 10.3069 10.3069 21.1544 21.1544 21.1546 21.1546 21.5675 21.5676 21.5677 21.5678 k = 0.0000 0.0000 0.3020 ( 772 PWs) bands (ev): -7.5866 -7.5866 -7.5864 -7.5864 5.7259 5.7259 5.7263 5.7263 10.2970 10.2970 10.2971 10.2971 10.3099 10.3099 10.3100 10.3100 21.1517 21.1517 21.1519 21.1519 21.5678 21.5678 21.5680 21.5680 k = 0.5000 0.2887 0.3020 ( 784 PWs) bands (ev): -4.1544 -4.1544 -4.1543 -4.1543 1.3663 1.3663 1.3663 1.3663 7.6703 7.6703 7.6703 7.6703 7.8858 7.8858 7.8861 7.8861 18.1658 18.1658 18.1658 18.1658 21.6533 21.6533 21.6534 21.6534 k = 0.5000 0.2887 0.2940 ( 784 PWs) bands (ev): -4.1840 -4.1840 -4.1251 -4.1251 1.3298 1.3298 1.4062 1.4062 7.6131 7.6131 7.7282 7.7282 7.8152 7.8152 7.9508 7.9508 18.1342 18.1342 18.1986 18.1986 21.6550 21.6550 21.6604 21.6604 k = 0.5000 0.2887 0.2861 ( 784 PWs) bands (ev): -4.2139 -4.2139 -4.0961 -4.0961 1.2967 1.2967 1.4493 1.4493 7.5566 7.5566 7.7389 7.7389 7.7869 7.7869 8.0094 8.0094 18.1048 18.1048 18.2319 18.2319 21.6660 21.6660 21.6757 21.6757 k = 0.5000 0.2887 0.2781 ( 788 PWs) bands (ev): -4.2439 -4.2439 -4.0677 -4.0677 1.2671 1.2671 1.4954 1.4954 7.5010 7.5010 7.6575 7.6575 7.8459 7.8459 8.0615 8.0615 18.0783 18.0783 18.2648 18.2648 21.6869 21.6869 21.6984 21.6984 k = 0.5000 0.2887 0.2702 ( 784 PWs) bands (ev): -4.2740 -4.2740 -4.0398 -4.0398 1.2410 1.2410 1.5447 1.5447 7.4463 7.4463 7.5713 7.5713 7.9054 7.9054 8.1069 8.1069 18.0554 18.0554 18.2966 18.2966 21.7180 21.7180 21.7282 21.7282 k = 0.5000 0.2887 0.2622 ( 780 PWs) bands (ev): -4.3041 -4.3041 -4.0125 -4.0125 1.2186 1.2186 1.5969 1.5969 7.3926 7.3926 7.4807 7.4807 7.9653 7.9653 8.1455 8.1455 18.0370 18.0370 18.3267 18.3267 21.7598 21.7598 21.7644 21.7644 k = 0.5000 0.2887 0.2543 ( 780 PWs) bands (ev): -4.3341 -4.3341 -3.9860 -3.9860 1.1999 1.1999 1.6518 1.6518 7.3397 7.3397 7.3861 7.3861 8.0254 8.0254 8.1768 8.1768 18.0234 18.0234 18.3543 18.3543 21.8063 21.8064 21.8124 21.8124 k = 0.5000 0.2887 0.2463 ( 780 PWs) bands (ev): -4.3640 -4.3640 -3.9602 -3.9602 1.1849 1.1849 1.7094 1.7094 7.2841 7.2841 7.2918 7.2918 8.0857 8.0857 8.2009 8.2009 18.0153 18.0153 18.3791 18.3791 21.8536 21.8536 21.8760 21.8760 k = 0.5000 0.2887 0.2384 ( 780 PWs) bands (ev): -4.3936 -4.3936 -3.9352 -3.9352 1.1737 1.1737 1.7695 1.7695 7.1855 7.1855 7.2383 7.2383 8.1459 8.1459 8.2178 8.2178 18.0131 18.0131 18.4007 18.4007 21.9056 21.9056 21.9506 21.9507 k = 0.5000 0.2887 0.2305 ( 780 PWs) bands (ev): -4.4228 -4.4228 -3.9112 -3.9112 1.1663 1.1663 1.8321 1.8321 7.0810 7.0810 7.1890 7.1890 8.2056 8.2056 8.2279 8.2279 18.0170 18.0170 18.4189 18.4189 21.9619 21.9619 22.0361 22.0361 k = 0.5000 0.2887 0.2225 ( 780 PWs) bands (ev): -4.4517 -4.4517 -3.8881 -3.8881 1.1627 1.1627 1.8969 1.8969 6.9739 6.9739 7.1409 7.1409 8.2286 8.2286 8.2672 8.2672 18.0274 18.0274 18.4337 18.4337 22.0220 22.0220 22.1320 22.1320 k = 0.5000 0.2887 0.2146 ( 776 PWs) bands (ev): -4.4802 -4.4802 -3.8660 -3.8660 1.1629 1.1629 1.9638 1.9638 6.8646 6.8646 7.0943 7.0943 8.2240 8.2240 8.3267 8.3267 18.0445 18.0445 18.4450 18.4450 22.0854 22.0854 22.2382 22.2382 k = 0.5000 0.2887 0.2066 ( 776 PWs) bands (ev): -4.5081 -4.5081 -3.8449 -3.8449 1.1669 1.1669 2.0327 2.0327 6.7535 6.7535 7.0489 7.0489 8.2120 8.2120 8.3861 8.3861 18.0680 18.0680 18.4531 18.4531 22.1516 22.1516 22.3540 22.3540 k = 0.5000 0.2887 0.1987 ( 776 PWs) bands (ev): -4.5354 -4.5354 -3.8248 -3.8248 1.1746 1.1746 2.1034 2.1034 6.6408 6.6408 7.0050 7.0050 8.1933 8.1933 8.4450 8.4450 18.0981 18.0981 18.4580 18.4580 22.2201 22.2201 22.4788 22.4788 k = 0.5000 0.2887 0.1907 ( 778 PWs) bands (ev): -4.5622 -4.5622 -3.8058 -3.8058 1.1860 1.1860 2.1757 2.1757 6.5270 6.5270 6.9625 6.9625 8.1680 8.1680 8.5032 8.5032 18.1346 18.1346 18.4602 18.4602 22.2906 22.2906 22.6121 22.6121 k = 0.5000 0.2887 0.1828 ( 778 PWs) bands (ev): -4.5882 -4.5882 -3.7880 -3.7880 1.2010 1.2010 2.2495 2.2495 6.4124 6.4124 6.9215 6.9215 8.1366 8.1366 8.5606 8.5606 18.1773 18.1773 18.4598 18.4598 22.3625 22.3625 22.7532 22.7532 k = 0.5000 0.2887 0.1748 ( 778 PWs) bands (ev): -4.6134 -4.6134 -3.7712 -3.7712 1.2195 1.2195 2.3245 2.3245 6.2974 6.2974 6.8820 6.8820 8.0995 8.0995 8.6171 8.6171 18.2259 18.2259 18.4571 18.4571 22.4352 22.4352 22.9015 22.9015 k = 0.5000 0.2887 0.1669 ( 780 PWs) bands (ev): -4.6379 -4.6379 -3.7555 -3.7555 1.2414 1.2414 2.4006 2.4006 6.1823 6.1823 6.8440 6.8440 8.0571 8.0571 8.6725 8.6725 18.2800 18.2800 18.4526 18.4526 22.5084 22.5084 23.0562 23.0562 k = 0.5000 0.2887 0.1589 ( 784 PWs) bands (ev): -4.6616 -4.6616 -3.7408 -3.7408 1.2665 1.2665 2.4775 2.4775 6.0672 6.0672 6.8076 6.8076 8.0097 8.0097 8.7267 8.7267 18.3392 18.3392 18.4464 18.4464 22.5814 22.5814 23.2165 23.2165 k = 0.5000 0.2887 0.1510 ( 786 PWs) bands (ev): -4.6843 -4.6843 -3.7273 -3.7273 1.2946 1.2946 2.5550 2.5550 5.9528 5.9528 6.7727 6.7727 7.9582 7.9582 8.7796 8.7796 18.4031 18.4031 18.4390 18.4390 22.6536 22.6536 23.3818 23.3818 k = 0.5000 0.2887 0.1430 ( 786 PWs) bands (ev): -4.7061 -4.7061 -3.7148 -3.7148 1.3257 1.3257 2.6329 2.6329 5.8394 5.8394 6.7396 6.7396 7.9028 7.9028 8.8310 8.8310 18.4305 18.4305 18.4712 18.4712 22.7243 22.7243 23.2983 23.2983 k = 0.5000 0.2887 0.1351 ( 786 PWs) bands (ev): -4.7269 -4.7269 -3.7032 -3.7032 1.3593 1.3593 2.7107 2.7107 5.7273 5.7273 6.7081 6.7081 7.8443 7.8443 8.8807 8.8807 18.4212 18.4212 18.5427 18.5427 22.7929 22.7929 23.1947 23.1947 k = 0.5000 0.2887 0.1271 ( 788 PWs) bands (ev): -4.7468 -4.7468 -3.6927 -3.6927 1.3953 1.3953 2.7883 2.7883 5.6168 5.6168 6.6782 6.6782 7.7832 7.7832 8.9286 8.9286 18.4114 18.4114 18.6172 18.6172 22.8586 22.8586 23.0955 23.0955 k = 0.5000 0.2887 0.1192 ( 784 PWs) bands (ev): -4.7656 -4.7656 -3.6831 -3.6831 1.4334 1.4334 2.8652 2.8652 5.5084 5.5084 6.6501 6.6501 7.7202 7.7202 8.9745 8.9745 18.4013 18.4013 18.6941 18.6941 22.9204 22.9204 23.0012 23.0012 k = 0.5000 0.2887 0.1113 ( 784 PWs) bands (ev): -4.7833 -4.7833 -3.6744 -3.6744 1.4733 1.4733 2.9411 2.9411 5.4026 5.4026 6.6237 6.6237 7.6558 7.6558 9.0183 9.0183 18.3911 18.3911 18.7724 18.7724 22.9118 22.9118 22.9777 22.9777 k = 0.5000 0.2887 0.1033 ( 784 PWs) bands (ev): -4.7999 -4.7999 -3.6665 -3.6665 1.5144 1.5144 3.0156 3.0156 5.2998 5.2998 6.5990 6.5990 7.5908 7.5908 9.0599 9.0599 18.3809 18.3809 18.8516 18.8516 22.8276 22.8276 23.0292 23.0292 k = 0.5000 0.2887 0.0954 ( 784 PWs) bands (ev): -4.8154 -4.8154 -3.6595 -3.6595 1.5565 1.5565 3.0881 3.0881 5.2004 5.2004 6.5761 6.5761 7.5260 7.5260 9.0991 9.0991 18.3709 18.3709 18.9307 18.9307 22.7488 22.7488 23.0742 23.0742 k = 0.5000 0.2887 0.0874 ( 784 PWs) bands (ev): -4.8297 -4.8297 -3.6532 -3.6532 1.5990 1.5990 3.1583 3.1583 5.1050 5.1050 6.5550 6.5550 7.4620 7.4620 9.1357 9.1357 18.3613 18.3613 19.0090 19.0090 22.6755 22.6755 23.1117 23.1117 k = 0.5000 0.2887 0.0795 ( 784 PWs) bands (ev): -4.8429 -4.8429 -3.6477 -3.6477 1.6413 1.6413 3.2256 3.2256 5.0143 5.0143 6.5357 6.5357 7.3995 7.3995 9.1697 9.1697 18.3522 18.3522 19.0855 19.0855 22.6080 22.6080 23.1413 23.1413 k = 0.5000 0.2887 0.0715 ( 776 PWs) bands (ev): -4.8549 -4.8549 -3.6428 -3.6428 1.6830 1.6830 3.2894 3.2894 4.9290 4.9290 6.5181 6.5181 7.3396 7.3396 9.2009 9.2009 18.3436 18.3436 19.1594 19.1594 22.5464 22.5464 23.1625 23.1625 k = 0.5000 0.2887 0.0636 ( 776 PWs) bands (ev): -4.8656 -4.8656 -3.6385 -3.6385 1.7232 1.7232 3.3490 3.3490 4.8495 4.8495 6.5024 6.5024 7.2828 7.2828 9.2291 9.2291 18.3357 18.3357 19.2295 19.2295 22.4908 22.4908 23.1756 23.1756 k = 0.5000 0.2887 0.0556 ( 776 PWs) bands (ev): -4.8751 -4.8751 -3.6349 -3.6349 1.7614 1.7614 3.4037 3.4037 4.7766 4.7766 6.4885 6.4885 7.2302 7.2302 9.2543 9.2543 18.3286 18.3286 19.2948 19.2948 22.4414 22.4414 23.1812 23.1812 k = 0.5000 0.2887 0.0477 ( 776 PWs) bands (ev): -4.8834 -4.8834 -3.6318 -3.6318 1.7967 1.7967 3.4530 3.4530 4.7111 4.7111 6.4764 6.4764 7.1824 7.1824 9.2763 9.2763 18.3223 18.3223 19.3544 19.3544 22.3983 22.3983 23.1806 23.1806 k = 0.5000 0.2887 0.0397 ( 776 PWs) bands (ev): -4.8905 -4.8905 -3.6292 -3.6292 1.8284 1.8284 3.4962 3.4962 4.6540 4.6540 6.4662 6.4662 7.1404 7.1404 9.2951 9.2951 18.3168 18.3168 19.4070 19.4070 22.3616 22.3616 23.1755 23.1755 k = 0.5000 0.2887 0.0318 ( 776 PWs) bands (ev): -4.8962 -4.8962 -3.6272 -3.6272 1.8556 1.8556 3.5326 3.5326 4.6058 4.6058 6.4578 6.4578 7.1047 7.1047 9.3106 9.3106 18.3123 18.3123 19.4517 19.4517 22.3315 22.3315 23.1678 23.1678 k = 0.5000 0.2887 0.0238 ( 782 PWs) bands (ev): -4.9007 -4.9007 -3.6256 -3.6256 1.8777 1.8777 3.5615 3.5615 4.5674 4.5674 6.4512 6.4512 7.0762 7.0762 9.3227 9.3227 18.3087 18.3087 19.4876 19.4876 22.3079 22.3079 23.1593 23.1593 k = 0.5000 0.2887 0.0159 ( 786 PWs) bands (ev): -4.9039 -4.9039 -3.6245 -3.6245 1.8940 1.8940 3.5826 3.5826 4.5395 4.5395 6.4465 6.4465 7.0553 7.0553 9.3314 9.3314 18.3062 18.3062 19.5139 19.5139 22.2911 22.2911 23.1519 23.1519 k = 0.5000 0.2887 0.0079 ( 782 PWs) bands (ev): -4.9059 -4.9059 -3.6239 -3.6239 1.9040 1.9040 3.5954 3.5954 4.5225 4.5225 6.4437 6.4437 7.0428 7.0428 9.3366 9.3366 18.3046 18.3046 19.5300 19.5300 22.2809 22.2809 23.1470 23.1470 k = 0.5000 0.2887-0.0000 ( 778 PWs) bands (ev): -4.9065 -4.9065 -3.6236 -3.6236 1.9074 1.9074 3.5998 3.5998 4.5169 4.5169 6.4428 6.4428 7.0385 7.0385 9.3384 9.3384 18.3041 18.3041 19.5355 19.5355 22.2776 22.2776 23.1452 23.1452 k = 0.3333 0.5774-0.0000 ( 801 PWs) bands (ev): -3.6849 -3.6845 -3.6843 -3.6842 2.1324 2.1324 4.2195 4.2196 4.2255 4.2256 5.9583 5.9583 6.0219 6.0229 6.0230 6.0232 16.7270 16.7270 25.0994 25.1004 25.1006 25.1016 25.5007 25.5007 k = 0.3333 0.5774 0.0079 ( 789 PWs) bands (ev): -3.6846 -3.6843 -3.6840 -3.6839 2.1335 2.1335 4.2137 4.2137 4.2197 4.2197 5.9558 5.9558 6.0291 6.0300 6.0302 6.0303 16.7319 16.7319 25.0821 25.0831 25.0833 25.0842 25.4990 25.4990 k = 0.3333 0.5774 0.0159 ( 789 PWs) bands (ev): -3.6839 -3.6835 -3.6833 -3.6832 2.1369 2.1369 4.1963 4.1963 4.2023 4.2023 5.9477 5.9477 6.0498 6.0507 6.0509 6.0510 16.7465 16.7465 25.0314 25.0325 25.0327 25.0333 25.4937 25.4937 k = 0.3333 0.5774 0.0238 ( 789 PWs) bands (ev): -3.6827 -3.6823 -3.6821 -3.6820 2.1425 2.1425 4.1683 4.1683 4.1741 4.1742 5.9343 5.9343 6.0833 6.0843 6.0844 6.0846 16.7707 16.7707 24.9520 24.9530 24.9532 24.9535 25.4849 25.4849 k = 0.3333 0.5774 0.0318 ( 789 PWs) bands (ev): -3.6810 -3.6806 -3.6804 -3.6803 2.1503 2.1503 4.1308 4.1308 4.1365 4.1366 5.9156 5.9156 6.1286 6.1296 6.1296 6.1299 16.8044 16.8044 24.8492 24.8501 24.8503 24.8504 25.4725 25.4725 k = 0.3333 0.5774 0.0397 ( 789 PWs) bands (ev): -3.6788 -3.6785 -3.6782 -3.6781 2.1604 2.1604 4.0853 4.0853 4.0909 4.0909 5.8918 5.8918 6.1839 6.1850 6.1851 6.1854 16.8476 16.8476 24.7283 24.7290 24.7292 24.7294 25.4563 25.4563 k = 0.3333 0.5774 0.0477 ( 789 PWs) bands (ev): -3.6762 -3.6759 -3.6756 -3.6755 2.1726 2.1726 4.0332 4.0332 4.0387 4.0387 5.8629 5.8629 6.2480 6.2490 6.2493 6.2496 16.9000 16.9000 24.5937 24.5941 24.5946 24.5948 25.4362 25.4362 k = 0.3333 0.5774 0.0556 ( 786 PWs) bands (ev): -3.6731 -3.6728 -3.6726 -3.6725 2.1871 2.1871 3.9758 3.9759 3.9812 3.9812 5.8293 5.8293 6.3195 6.3204 6.3208 6.3211 16.9615 16.9615 24.4490 24.4492 24.4498 24.4501 25.4121 25.4121 k = 0.3333 0.5774 0.0636 ( 786 PWs) bands (ev): -3.6697 -3.6693 -3.6691 -3.6690 2.2039 2.2039 3.9145 3.9145 3.9198 3.9198 5.7910 5.7910 6.3969 6.3978 6.3983 6.3986 17.0319 17.0319 24.2966 24.2969 24.2976 24.2978 25.3837 25.3837 k = 0.3333 0.5774 0.0715 ( 786 PWs) bands (ev): -3.6658 -3.6655 -3.6652 -3.6651 2.2228 2.2228 3.8502 3.8503 3.8554 3.8554 5.7483 5.7483 6.4791 6.4800 6.4807 6.4810 17.1108 17.1108 24.1390 24.1393 24.1400 24.1402 25.3508 25.3508 k = 0.3333 0.5774 0.0795 ( 783 PWs) bands (ev): -3.6615 -3.6612 -3.6610 -3.6609 2.2439 2.2439 3.7839 3.7840 3.7890 3.7890 5.7014 5.7014 6.5653 6.5661 6.5669 6.5672 17.1981 17.1981 23.9777 23.9781 23.9788 23.9790 25.3132 25.3132 k = 0.3333 0.5774 0.0874 ( 789 PWs) bands (ev): -3.6569 -3.6566 -3.6564 -3.6563 2.2672 2.2672 3.7163 3.7164 3.7213 3.7213 5.6505 5.6505 6.6543 6.6551 6.6561 6.6564 17.2935 17.2935 23.8138 23.8143 23.8149 23.8151 25.2704 25.2704 k = 0.3333 0.5774 0.0954 ( 795 PWs) bands (ev): -3.6520 -3.6517 -3.6514 -3.6513 2.2926 2.2927 3.6481 3.6483 3.6530 3.6531 5.5960 5.5960 6.7455 6.7463 6.7474 6.7477 17.3966 17.3966 23.6488 23.6494 23.6499 23.6502 25.2225 25.2225 k = 0.3333 0.5774 0.1033 ( 795 PWs) bands (ev): -3.6467 -3.6464 -3.6462 -3.6461 2.3203 2.3203 3.5799 3.5801 3.5847 3.5848 5.5380 5.5380 6.8385 6.8393 6.8404 6.8407 17.5072 17.5072 23.4838 23.4845 23.4850 23.4852 25.1689 25.1689 k = 0.3333 0.5774 0.1113 ( 795 PWs) bands (ev): -3.6412 -3.6409 -3.6407 -3.6406 2.3501 2.3501 3.5121 3.5122 3.5168 3.5169 5.4769 5.4769 6.9324 6.9332 6.9344 6.9347 17.6250 17.6250 23.3194 23.3202 23.3206 23.3209 25.1095 25.1095 k = 0.3333 0.5774 0.1192 ( 795 PWs) bands (ev): -3.6355 -3.6352 -3.6350 -3.6349 2.3820 2.3820 3.4451 3.4452 3.4497 3.4498 5.4129 5.4129 7.0268 7.0276 7.0289 7.0292 17.7497 17.7497 23.1564 23.1572 23.1576 23.1578 25.0439 25.0439 k = 0.3333 0.5774 0.1271 ( 795 PWs) bands (ev): -3.6296 -3.6293 -3.6291 -3.6290 2.4161 2.4161 3.3792 3.3793 3.3838 3.3838 5.3463 5.3463 7.1213 7.1220 7.1234 7.1237 17.8808 17.8808 22.9954 22.9962 22.9966 22.9968 24.9719 24.9719 k = 0.3333 0.5774 0.1351 ( 789 PWs) bands (ev): -3.6235 -3.6232 -3.6230 -3.6229 2.4522 2.4522 3.3147 3.3148 3.3193 3.3193 5.2773 5.2773 7.2153 7.2160 7.2175 7.2178 18.0182 18.0182 22.8370 22.8378 22.8381 22.8384 24.8932 24.8932 k = 0.3333 0.5774 0.1430 ( 780 PWs) bands (ev): -3.6173 -3.6170 -3.6168 -3.6167 2.4905 2.4905 3.2520 3.2521 3.2565 3.2565 5.2063 5.2063 7.3084 7.3091 7.3107 7.3110 18.1617 18.1617 22.6817 22.6825 22.6829 22.6831 24.8076 24.8076 k = 0.3333 0.5774 0.1510 ( 780 PWs) bands (ev): -3.6110 -3.6108 -3.6106 -3.6105 2.5308 2.5308 3.1911 3.1912 3.1956 3.1956 5.1332 5.1332 7.4002 7.4009 7.4025 7.4028 18.3105 18.3105 22.5302 22.5310 22.5313 22.5315 24.7149 24.7149 k = 0.3333 0.5774 0.1589 ( 780 PWs) bands (ev): -3.6047 -3.6045 -3.6043 -3.6042 2.5731 2.5731 3.1323 3.1324 3.1367 3.1368 5.0585 5.0585 7.4903 7.4910 7.4927 7.4930 18.4646 18.4646 22.3828 22.3836 22.3839 22.3841 24.6149 24.6149 k = 0.3333 0.5774 0.1669 ( 780 PWs) bands (ev): -3.5985 -3.5982 -3.5980 -3.5979 2.6175 2.6175 3.0758 3.0759 3.0802 3.0802 4.9824 4.9824 7.5783 7.5790 7.5808 7.5811 18.6235 18.6235 22.2401 22.2409 22.2411 22.2414 24.5077 24.5077 k = 0.3333 0.5774 0.1748 ( 780 PWs) bands (ev): -3.5922 -3.5920 -3.5918 -3.5917 2.6639 2.6639 3.0217 3.0218 3.0261 3.0261 4.9051 4.9051 7.6639 7.6645 7.6664 7.6667 18.7871 18.7871 22.1026 22.1033 22.1036 22.1038 24.3932 24.3932 k = 0.3333 0.5774 0.1828 ( 777 PWs) bands (ev): -3.5861 -3.5859 -3.5856 -3.5855 2.7122 2.7122 2.9702 2.9704 2.9746 2.9746 4.8268 4.8268 7.7468 7.7473 7.7493 7.7495 18.9550 18.9550 21.9707 21.9714 21.9716 21.9718 24.2715 24.2715 k = 0.3333 0.5774 0.1907 ( 780 PWs) bands (ev): -3.5801 -3.5799 -3.5796 -3.5796 2.7625 2.7625 2.9214 2.9216 2.9258 2.9258 4.7477 4.7477 7.8263 7.8269 7.8288 7.8291 19.1269 19.1269 21.8448 21.8455 21.8457 21.8459 24.1427 24.1427 k = 0.3333 0.5774 0.1987 ( 780 PWs) bands (ev): -3.5743 -3.5741 -3.5738 -3.5738 2.8146 2.8146 2.8755 2.8757 2.8799 2.8799 4.6680 4.6680 7.9023 7.9028 7.9049 7.9052 19.3024 19.3024 21.7254 21.7261 21.7262 21.7265 24.0069 24.0069 k = 0.3333 0.5774 0.2066 ( 780 PWs) bands (ev): -3.5687 -3.5685 -3.5683 -3.5682 2.8326 2.8327 2.8368 2.8368 2.8688 2.8688 4.5879 4.5879 7.9744 7.9749 7.9770 7.9773 19.4813 19.4813 21.6129 21.6135 21.6137 21.6139 23.8644 23.8644 k = 0.3333 0.5774 0.2146 ( 780 PWs) bands (ev): -3.5634 -3.5632 -3.5630 -3.5629 2.7927 2.7928 2.7970 2.7970 2.9246 2.9246 4.5076 4.5076 8.0422 8.0427 8.0449 8.0452 19.6633 19.6633 21.5077 21.5083 21.5084 21.5086 23.7155 23.7155 k = 0.3333 0.5774 0.2225 ( 780 PWs) bands (ev): -3.5584 -3.5582 -3.5580 -3.5579 2.7560 2.7561 2.7603 2.7603 2.9823 2.9823 4.4272 4.4272 8.1055 8.1060 8.1081 8.1084 19.8479 19.8479 21.4101 21.4107 21.4108 21.4111 23.5605 23.5605 k = 0.3333 0.5774 0.2305 ( 774 PWs) bands (ev): -3.5537 -3.5535 -3.5533 -3.5532 2.7225 2.7226 2.7268 2.7268 3.0418 3.0418 4.3469 4.3469 8.1640 8.1645 8.1667 8.1670 20.0350 20.0350 21.3207 21.3212 21.3214 21.3216 23.3999 23.3999 k = 0.3333 0.5774 0.2384 ( 780 PWs) bands (ev): -3.5494 -3.5493 -3.5491 -3.5490 2.6923 2.6924 2.6966 2.6966 3.1029 3.1029 4.2667 4.2667 8.2171 8.2175 8.2198 8.2201 20.2241 20.2241 21.2396 21.2401 21.2402 21.2404 23.2338 23.2338 k = 0.3333 0.5774 0.2463 ( 780 PWs) bands (ev): -3.5456 -3.5454 -3.5452 -3.5451 2.6656 2.6657 2.6698 2.6698 3.1657 3.1657 4.1869 4.1869 8.2647 8.2651 8.2674 8.2677 20.4150 20.4150 21.1672 21.1676 21.1678 21.1680 23.0631 23.0631 k = 0.3333 0.5774 0.2543 ( 780 PWs) bands (ev): -3.5422 -3.5420 -3.5418 -3.5417 2.6423 2.6423 2.6464 2.6465 3.2302 3.2302 4.1076 4.1076 8.3066 8.3070 8.3093 8.3096 20.6073 20.6073 21.1038 21.1042 21.1044 21.1046 22.8879 22.8879 k = 0.3333 0.5774 0.2622 ( 780 PWs) bands (ev): -3.5392 -3.5391 -3.5389 -3.5388 2.6224 2.6225 2.6266 2.6266 3.2963 3.2963 4.0289 4.0289 8.3424 8.3428 8.3451 8.3454 20.8006 20.8006 21.0498 21.0501 21.0503 21.0505 22.7088 22.7088 k = 0.3333 0.5774 0.2702 ( 780 PWs) bands (ev): -3.5368 -3.5367 -3.5364 -3.5364 2.6062 2.6062 2.6103 2.6103 3.3638 3.3638 3.9509 3.9509 8.3721 8.3724 8.3748 8.3751 20.9946 20.9946 21.0052 21.0055 21.0057 21.0060 22.5263 22.5263 k = 0.3333 0.5774 0.2781 ( 780 PWs) bands (ev): -3.5349 -3.5348 -3.5345 -3.5344 2.5935 2.5935 2.5976 2.5976 3.4328 3.4328 3.8737 3.8737 8.3953 8.3956 8.3980 8.3983 20.9703 20.9706 20.9707 20.9710 21.1891 21.1891 22.3407 22.3407 k = 0.3333 0.5774 0.2861 ( 780 PWs) bands (ev): -3.5335 -3.5334 -3.5332 -3.5331 2.5844 2.5844 2.5885 2.5885 3.5032 3.5032 3.7974 3.7974 8.4120 8.4123 8.4147 8.4150 20.9453 20.9455 20.9457 20.9459 21.3834 21.3834 22.1526 22.1526 k = 0.3333 0.5774 0.2940 ( 780 PWs) bands (ev): -3.5327 -3.5326 -3.5323 -3.5322 2.5789 2.5789 2.5831 2.5831 3.5750 3.5750 3.7222 3.7222 8.4221 8.4224 8.4248 8.4251 20.9302 20.9304 20.9306 20.9308 21.5773 21.5773 21.9624 21.9624 k = 0.3333 0.5774 0.3020 ( 780 PWs) bands (ev): -3.5324 -3.5323 -3.5321 -3.5320 2.5771 2.5771 2.5812 2.5813 3.6455 3.6455 3.6505 3.6505 8.4254 8.4258 8.4282 8.4285 20.9252 20.9254 20.9256 20.9258 21.7668 21.7669 21.7740 21.7742 Writing output data file BN.save init_run : 1.15s CPU 11.58s WALL ( 1 calls) electrons : 171.14s CPU 176.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.27s CPU 1.45s WALL ( 1 calls) Called by electrons: c_bands : 171.10s CPU 176.11s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.89s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.53s WALL ( 1 calls) newd : 0.04s CPU 0.53s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.03s WALL ( 517 calls) cegterg : 107.16s CPU 108.22s WALL ( 785 calls) Called by sum_band: Called by *egterg: h_psi : 51.10s CPU 55.82s WALL ( 12113 calls) s_psi : 1.32s CPU 2.64s WALL ( 12113 calls) g_psi : 0.04s CPU 0.08s WALL ( 10811 calls) cdiaghg : 38.31s CPU 38.21s WALL ( 11328 calls) cegterg:over : 9.71s CPU 7.75s WALL ( 10811 calls) cegterg:upda : 0.23s CPU 0.69s WALL ( 10811 calls) cegterg:last : 0.12s CPU 0.53s WALL ( 2266 calls) Called by h_psi: h_psi:vloc : 41.90s CPU 47.54s WALL ( 12113 calls) h_psi:vnl : 9.18s CPU 8.21s WALL ( 12113 calls) add_vuspsi : 0.46s CPU 1.85s WALL ( 12113 calls) General routines calbec : 8.69s CPU 6.27s WALL ( 12113 calls) fft : 0.23s CPU 1.20s WALL ( 19 calls) ffts : 0.00s CPU 0.06s WALL ( 4 calls) fftw : 40.61s CPU 45.53s WALL ( 668152 calls) interpolate : 0.01s CPU 0.08s WALL ( 4 calls) davcio : 0.02s CPU 1.46s WALL ( 1034 calls) Parallel routines fft_scatter : 31.31s CPU 35.57s WALL ( 668175 calls) PWSCF : 3m24.63s CPU 5m27.03s WALL This run was terminated on: 17: 8:57 28Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=