Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:28:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cs.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 23 6 795 795 126 Max 24 24 7 801 801 135 Sum 829 829 241 28689 28689 4693 bravais-lattice index = 14 lattice parameter (alat) = 5.6900 a.u. unit-cell volume = 297.0347 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 1 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.689965 celldm(2)= 1.000000 celldm(3)= 1.612421 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.612421 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.620185 ) PseudoPot. # 1 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Cs 9.00 132.90550 Cs( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8062106 ) isym = 3 180 deg rotation - cart. axis [1,1,0] cryst. s( 3) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8062106 ) isym = 4 180 deg rotation - cart. axis [1,-1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 4) = ( 0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -0.8062106 ) isym = 7 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( -1.0000000 -0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.8062106 ) isym = 8 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s( 8) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.0000000 1.0000000 0.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [1,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,-1,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [1,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,-1,0] Cartesian axes number of k points= 548 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0067568 0.0067568 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0337838 0.0337838 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0472973 0.0472973 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0540540 0.0540541 -0.0000000), wk = 0.0018248 k( 10) = ( 0.0608108 0.0608108 -0.0000000), wk = 0.0018248 k( 11) = ( 0.0675676 0.0675676 -0.0000000), wk = 0.0018248 k( 12) = ( 0.0743243 0.0743243 -0.0000000), wk = 0.0018248 k( 13) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0018248 k( 14) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0018248 k( 15) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1013514 0.1013514 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0018248 k( 19) = ( 0.1216216 0.1216216 -0.0000000), wk = 0.0018248 k( 20) = ( 0.1283784 0.1283784 -0.0000000), wk = 0.0018248 k( 21) = ( 0.1351351 0.1351351 -0.0000000), wk = 0.0018248 k( 22) = ( 0.1418919 0.1418919 -0.0000000), wk = 0.0018248 k( 23) = ( 0.1486486 0.1486487 -0.0000000), wk = 0.0018248 k( 24) = ( 0.1554054 0.1554054 -0.0000000), wk = 0.0018248 k( 25) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0018248 k( 26) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0018248 k( 27) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0018248 k( 28) = ( 0.1824324 0.1824324 -0.0000000), wk = 0.0018248 k( 29) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0018248 k( 30) = ( 0.1959460 0.1959460 -0.0000000), wk = 0.0018248 k( 31) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0018248 k( 32) = ( 0.2094595 0.2094595 -0.0000000), wk = 0.0018248 k( 33) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0018248 k( 34) = ( 0.2229730 0.2229730 -0.0000000), wk = 0.0018248 k( 35) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0018248 k( 36) = ( 0.2364865 0.2364865 -0.0000000), wk = 0.0018248 k( 37) = ( 0.2432432 0.2432432 -0.0000000), wk = 0.0018248 k( 38) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0018248 k( 40) = ( 0.2635135 0.2635135 -0.0000000), wk = 0.0018248 k( 41) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0018248 k( 42) = ( 0.2770270 0.2770270 -0.0000000), wk = 0.0018248 k( 43) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0018248 k( 44) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0018248 k( 45) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0018248 k( 46) = ( 0.3040541 0.3040541 -0.0000000), wk = 0.0018248 k( 47) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0018248 k( 48) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0018248 k( 49) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0018248 k( 50) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0018248 k( 51) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0018248 k( 52) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0018248 k( 53) = ( 0.3513514 0.3513514 -0.0000000), wk = 0.0018248 k( 54) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0018248 k( 55) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0018248 k( 56) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0018248 k( 57) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0018248 k( 58) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0018248 k( 59) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0018248 k( 60) = ( 0.3986486 0.3986487 -0.0000000), wk = 0.0018248 k( 61) = ( 0.4054054 0.4054054 -0.0000000), wk = 0.0018248 k( 62) = ( 0.4121622 0.4121622 -0.0000000), wk = 0.0018248 k( 63) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0018248 k( 64) = ( 0.4256757 0.4256757 -0.0000000), wk = 0.0018248 k( 65) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0018248 k( 66) = ( 0.4391892 0.4391892 -0.0000000), wk = 0.0018248 k( 67) = ( 0.4459459 0.4459460 -0.0000000), wk = 0.0018248 k( 68) = ( 0.4527027 0.4527027 -0.0000000), wk = 0.0018248 k( 69) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0018248 k( 70) = ( 0.4662162 0.4662162 -0.0000000), wk = 0.0018248 k( 71) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0018248 k( 72) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0018248 k( 73) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0018248 k( 74) = ( 0.4932432 0.4932432 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 77) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0018248 k( 78) = ( 0.4811321 0.5000000 -0.0000000), wk = 0.0018248 k( 79) = ( 0.4716981 0.5000000 -0.0000000), wk = 0.0018248 k( 80) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0018248 k( 81) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0018248 k( 82) = ( 0.4433962 0.5000000 -0.0000000), wk = 0.0018248 k( 83) = ( 0.4339623 0.5000000 -0.0000000), wk = 0.0018248 k( 84) = ( 0.4245283 0.5000000 -0.0000000), wk = 0.0018248 k( 85) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0018248 k( 86) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0018248 k( 87) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0018248 k( 88) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0018248 k( 89) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0018248 k( 90) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0018248 k( 91) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0018248 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0018248 k( 93) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0018248 k( 94) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0018248 k( 95) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0018248 k( 96) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0018248 k( 97) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0018248 k( 98) = ( 0.2924528 0.5000000 -0.0000000), wk = 0.0018248 k( 99) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0018248 k( 100) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0018248 k( 101) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0018248 k( 102) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0018248 k( 103) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0018248 k( 104) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0018248 k( 105) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0018248 k( 106) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0018248 k( 107) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0018248 k( 108) = ( 0.1981132 0.5000000 -0.0000000), wk = 0.0018248 k( 109) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0018248 k( 110) = ( 0.1792453 0.5000000 -0.0000000), wk = 0.0018248 k( 111) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0018248 k( 112) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0018248 k( 113) = ( 0.1509434 0.5000000 -0.0000000), wk = 0.0018248 k( 114) = ( 0.1415094 0.5000000 -0.0000000), wk = 0.0018248 k( 115) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0018248 k( 116) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0018248 k( 117) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0018248 k( 118) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0018248 k( 119) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0018248 k( 120) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0018248 k( 121) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0018248 k( 122) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0018248 k( 123) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0018248 k( 124) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0018248 k( 125) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0018248 k( 126) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0018248 k( 127) = ( 0.0188679 0.5000000 -0.0000000), wk = 0.0018248 k( 128) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0018248 k( 129) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 130) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 131) = ( 0.0000000 0.5000000 0.0093968), wk = 0.0018248 k( 132) = ( 0.0000000 0.5000000 0.0187935), wk = 0.0018248 k( 133) = ( 0.0000000 0.5000000 0.0281902), wk = 0.0018248 k( 134) = ( 0.0000000 0.5000000 0.0375870), wk = 0.0018248 k( 135) = ( 0.0000000 0.5000000 0.0469837), wk = 0.0018248 k( 136) = ( 0.0000000 0.5000000 0.0563805), wk = 0.0018248 k( 137) = ( 0.0000000 0.5000000 0.0657772), wk = 0.0018248 k( 138) = ( 0.0000000 0.5000000 0.0751740), wk = 0.0018248 k( 139) = ( 0.0000000 0.5000000 0.0845707), wk = 0.0018248 k( 140) = ( 0.0000000 0.5000000 0.0939675), wk = 0.0018248 k( 141) = ( 0.0000000 0.5000000 0.1033642), wk = 0.0018248 k( 142) = ( 0.0000000 0.5000000 0.1127610), wk = 0.0018248 k( 143) = ( 0.0000000 0.5000000 0.1221577), wk = 0.0018248 k( 144) = ( 0.0000000 0.5000000 0.1315545), wk = 0.0018248 k( 145) = ( 0.0000000 0.5000000 0.1409512), wk = 0.0018248 k( 146) = ( 0.0000000 0.5000000 0.1503480), wk = 0.0018248 k( 147) = ( 0.0000000 0.5000000 0.1597447), wk = 0.0018248 k( 148) = ( 0.0000000 0.5000000 0.1691415), wk = 0.0018248 k( 149) = ( 0.0000000 0.5000000 0.1785382), wk = 0.0018248 k( 150) = ( 0.0000000 0.5000000 0.1879350), wk = 0.0018248 k( 151) = ( 0.0000000 0.5000000 0.1973317), wk = 0.0018248 k( 152) = ( 0.0000000 0.5000000 0.2067285), wk = 0.0018248 k( 153) = ( 0.0000000 0.5000000 0.2161252), wk = 0.0018248 k( 154) = ( 0.0000000 0.5000000 0.2255220), wk = 0.0018248 k( 155) = ( 0.0000000 0.5000000 0.2349187), wk = 0.0018248 k( 156) = ( 0.0000000 0.5000000 0.2443154), wk = 0.0018248 k( 157) = ( 0.0000000 0.5000000 0.2537122), wk = 0.0018248 k( 158) = ( 0.0000000 0.5000000 0.2631089), wk = 0.0018248 k( 159) = ( 0.0000000 0.5000000 0.2725057), wk = 0.0018248 k( 160) = ( 0.0000000 0.5000000 0.2819024), wk = 0.0018248 k( 161) = ( 0.0000000 0.5000000 0.2912992), wk = 0.0018248 k( 162) = ( 0.0000000 0.5000000 0.3006959), wk = 0.0018248 k( 163) = ( 0.0000000 0.5000000 0.3100927), wk = 0.0018248 k( 164) = ( 0.0000000 0.5000000 0.3100927), wk = 0.0018248 k( 165) = ( 0.0094340 0.5000000 0.3100927), wk = 0.0018248 k( 166) = ( 0.0188679 0.5000000 0.3100927), wk = 0.0018248 k( 167) = ( 0.0283019 0.5000000 0.3100927), wk = 0.0018248 k( 168) = ( 0.0377359 0.5000000 0.3100927), wk = 0.0018248 k( 169) = ( 0.0471698 0.5000000 0.3100927), wk = 0.0018248 k( 170) = ( 0.0566038 0.5000000 0.3100927), wk = 0.0018248 k( 171) = ( 0.0660377 0.5000000 0.3100927), wk = 0.0018248 k( 172) = ( 0.0754717 0.5000000 0.3100927), wk = 0.0018248 k( 173) = ( 0.0849057 0.5000000 0.3100927), wk = 0.0018248 k( 174) = ( 0.0943396 0.5000000 0.3100927), wk = 0.0018248 k( 175) = ( 0.1037736 0.5000000 0.3100927), wk = 0.0018248 k( 176) = ( 0.1132076 0.5000000 0.3100927), wk = 0.0018248 k( 177) = ( 0.1226415 0.5000000 0.3100927), wk = 0.0018248 k( 178) = ( 0.1320755 0.5000000 0.3100927), wk = 0.0018248 k( 179) = ( 0.1415094 0.5000000 0.3100927), wk = 0.0018248 k( 180) = ( 0.1509434 0.5000000 0.3100927), wk = 0.0018248 k( 181) = ( 0.1603774 0.5000000 0.3100927), wk = 0.0018248 k( 182) = ( 0.1698113 0.5000000 0.3100927), wk = 0.0018248 k( 183) = ( 0.1792453 0.5000000 0.3100927), wk = 0.0018248 k( 184) = ( 0.1886792 0.5000000 0.3100927), wk = 0.0018248 k( 185) = ( 0.1981132 0.5000000 0.3100927), wk = 0.0018248 k( 186) = ( 0.2075472 0.5000000 0.3100927), wk = 0.0018248 k( 187) = ( 0.2169811 0.5000000 0.3100927), wk = 0.0018248 k( 188) = ( 0.2264151 0.5000000 0.3100927), wk = 0.0018248 k( 189) = ( 0.2358491 0.5000000 0.3100927), wk = 0.0018248 k( 190) = ( 0.2452830 0.5000000 0.3100927), wk = 0.0018248 k( 191) = ( 0.2547170 0.5000000 0.3100927), wk = 0.0018248 k( 192) = ( 0.2641509 0.5000000 0.3100927), wk = 0.0018248 k( 193) = ( 0.2735849 0.5000000 0.3100927), wk = 0.0018248 k( 194) = ( 0.2830189 0.5000000 0.3100927), wk = 0.0018248 k( 195) = ( 0.2924528 0.5000000 0.3100927), wk = 0.0018248 k( 196) = ( 0.3018868 0.5000000 0.3100927), wk = 0.0018248 k( 197) = ( 0.3113207 0.5000000 0.3100927), wk = 0.0018248 k( 198) = ( 0.3207547 0.5000000 0.3100927), wk = 0.0018248 k( 199) = ( 0.3301887 0.5000000 0.3100927), wk = 0.0018248 k( 200) = ( 0.3396226 0.5000000 0.3100927), wk = 0.0018248 k( 201) = ( 0.3490566 0.5000000 0.3100927), wk = 0.0018248 k( 202) = ( 0.3584906 0.5000000 0.3100927), wk = 0.0018248 k( 203) = ( 0.3679245 0.5000000 0.3100927), wk = 0.0018248 k( 204) = ( 0.3773585 0.5000000 0.3100927), wk = 0.0018248 k( 205) = ( 0.3867925 0.5000000 0.3100927), wk = 0.0018248 k( 206) = ( 0.3962264 0.5000000 0.3100927), wk = 0.0018248 k( 207) = ( 0.4056604 0.5000000 0.3100927), wk = 0.0018248 k( 208) = ( 0.4150943 0.5000000 0.3100927), wk = 0.0018248 k( 209) = ( 0.4245283 0.5000000 0.3100927), wk = 0.0018248 k( 210) = ( 0.4339623 0.5000000 0.3100927), wk = 0.0018248 k( 211) = ( 0.4433962 0.5000000 0.3100927), wk = 0.0018248 k( 212) = ( 0.4528302 0.5000000 0.3100927), wk = 0.0018248 k( 213) = ( 0.4622641 0.5000000 0.3100927), wk = 0.0018248 k( 214) = ( 0.4716981 0.5000000 0.3100927), wk = 0.0018248 k( 215) = ( 0.4811321 0.5000000 0.3100927), wk = 0.0018248 k( 216) = ( 0.4905660 0.5000000 0.3100927), wk = 0.0018248 k( 217) = ( 0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 218) = ( 0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 219) = ( 0.4932432 0.4932432 0.3100927), wk = 0.0018248 k( 220) = ( 0.4864865 0.4864865 0.3100927), wk = 0.0018248 k( 221) = ( 0.4797297 0.4797297 0.3100927), wk = 0.0018248 k( 222) = ( 0.4729730 0.4729730 0.3100927), wk = 0.0018248 k( 223) = ( 0.4662162 0.4662162 0.3100927), wk = 0.0018248 k( 224) = ( 0.4594595 0.4594595 0.3100927), wk = 0.0018248 k( 225) = ( 0.4527027 0.4527027 0.3100927), wk = 0.0018248 k( 226) = ( 0.4459459 0.4459460 0.3100927), wk = 0.0018248 k( 227) = ( 0.4391892 0.4391892 0.3100927), wk = 0.0018248 k( 228) = ( 0.4324324 0.4324324 0.3100927), wk = 0.0018248 k( 229) = ( 0.4256757 0.4256757 0.3100927), wk = 0.0018248 k( 230) = ( 0.4189189 0.4189189 0.3100927), wk = 0.0018248 k( 231) = ( 0.4121622 0.4121622 0.3100927), wk = 0.0018248 k( 232) = ( 0.4054054 0.4054054 0.3100927), wk = 0.0018248 k( 233) = ( 0.3986486 0.3986487 0.3100927), wk = 0.0018248 k( 234) = ( 0.3918919 0.3918919 0.3100927), wk = 0.0018248 k( 235) = ( 0.3851351 0.3851351 0.3100927), wk = 0.0018248 k( 236) = ( 0.3783784 0.3783784 0.3100927), wk = 0.0018248 k( 237) = ( 0.3716216 0.3716216 0.3100927), wk = 0.0018248 k( 238) = ( 0.3648649 0.3648649 0.3100927), wk = 0.0018248 k( 239) = ( 0.3581081 0.3581081 0.3100927), wk = 0.0018248 k( 240) = ( 0.3513514 0.3513514 0.3100927), wk = 0.0018248 k( 241) = ( 0.3445946 0.3445946 0.3100927), wk = 0.0018248 k( 242) = ( 0.3378378 0.3378378 0.3100927), wk = 0.0018248 k( 243) = ( 0.3310811 0.3310811 0.3100927), wk = 0.0018248 k( 244) = ( 0.3243243 0.3243243 0.3100927), wk = 0.0018248 k( 245) = ( 0.3175676 0.3175676 0.3100927), wk = 0.0018248 k( 246) = ( 0.3108108 0.3108108 0.3100927), wk = 0.0018248 k( 247) = ( 0.3040541 0.3040541 0.3100927), wk = 0.0018248 k( 248) = ( 0.2972973 0.2972973 0.3100927), wk = 0.0018248 k( 249) = ( 0.2905405 0.2905405 0.3100927), wk = 0.0018248 k( 250) = ( 0.2837838 0.2837838 0.3100927), wk = 0.0018248 k( 251) = ( 0.2770270 0.2770270 0.3100927), wk = 0.0018248 k( 252) = ( 0.2702703 0.2702703 0.3100927), wk = 0.0018248 k( 253) = ( 0.2635135 0.2635135 0.3100927), wk = 0.0018248 k( 254) = ( 0.2567568 0.2567568 0.3100927), wk = 0.0018248 k( 255) = ( 0.2500000 0.2500000 0.3100927), wk = 0.0018248 k( 256) = ( 0.2432432 0.2432432 0.3100927), wk = 0.0018248 k( 257) = ( 0.2364865 0.2364865 0.3100927), wk = 0.0018248 k( 258) = ( 0.2297297 0.2297297 0.3100927), wk = 0.0018248 k( 259) = ( 0.2229730 0.2229730 0.3100927), wk = 0.0018248 k( 260) = ( 0.2162162 0.2162162 0.3100927), wk = 0.0018248 k( 261) = ( 0.2094595 0.2094595 0.3100927), wk = 0.0018248 k( 262) = ( 0.2027027 0.2027027 0.3100927), wk = 0.0018248 k( 263) = ( 0.1959460 0.1959460 0.3100927), wk = 0.0018248 k( 264) = ( 0.1891892 0.1891892 0.3100927), wk = 0.0018248 k( 265) = ( 0.1824324 0.1824324 0.3100927), wk = 0.0018248 k( 266) = ( 0.1756757 0.1756757 0.3100927), wk = 0.0018248 k( 267) = ( 0.1689189 0.1689189 0.3100927), wk = 0.0018248 k( 268) = ( 0.1621622 0.1621622 0.3100927), wk = 0.0018248 k( 269) = ( 0.1554054 0.1554054 0.3100927), wk = 0.0018248 k( 270) = ( 0.1486486 0.1486487 0.3100927), wk = 0.0018248 k( 271) = ( 0.1418919 0.1418919 0.3100927), wk = 0.0018248 k( 272) = ( 0.1351351 0.1351351 0.3100927), wk = 0.0018248 k( 273) = ( 0.1283784 0.1283784 0.3100927), wk = 0.0018248 k( 274) = ( 0.1216216 0.1216216 0.3100927), wk = 0.0018248 k( 275) = ( 0.1148649 0.1148649 0.3100927), wk = 0.0018248 k( 276) = ( 0.1081081 0.1081081 0.3100927), wk = 0.0018248 k( 277) = ( 0.1013514 0.1013514 0.3100927), wk = 0.0018248 k( 278) = ( 0.0945946 0.0945946 0.3100927), wk = 0.0018248 k( 279) = ( 0.0878378 0.0878378 0.3100927), wk = 0.0018248 k( 280) = ( 0.0810811 0.0810811 0.3100927), wk = 0.0018248 k( 281) = ( 0.0743243 0.0743243 0.3100927), wk = 0.0018248 k( 282) = ( 0.0675676 0.0675676 0.3100927), wk = 0.0018248 k( 283) = ( 0.0608108 0.0608108 0.3100927), wk = 0.0018248 k( 284) = ( 0.0540540 0.0540541 0.3100927), wk = 0.0018248 k( 285) = ( 0.0472973 0.0472973 0.3100927), wk = 0.0018248 k( 286) = ( 0.0405405 0.0405405 0.3100927), wk = 0.0018248 k( 287) = ( 0.0337838 0.0337838 0.3100927), wk = 0.0018248 k( 288) = ( 0.0270270 0.0270270 0.3100927), wk = 0.0018248 k( 289) = ( 0.0202703 0.0202703 0.3100927), wk = 0.0018248 k( 290) = ( 0.0135135 0.0135135 0.3100927), wk = 0.0018248 k( 291) = ( 0.0067568 0.0067568 0.3100927), wk = 0.0018248 k( 292) = ( 0.0000000 0.0000000 0.3100927), wk = 0.0018248 k( 293) = ( 0.0000000 0.0000000 0.3100927), wk = 0.0018248 k( 294) = ( 0.0000000 0.0000000 0.3006959), wk = 0.0018248 k( 295) = ( 0.0000000 0.0000000 0.2912992), wk = 0.0018248 k( 296) = ( 0.0000000 0.0000000 0.2819024), wk = 0.0018248 k( 297) = ( 0.0000000 0.0000000 0.2725057), wk = 0.0018248 k( 298) = ( 0.0000000 0.0000000 0.2631089), wk = 0.0018248 k( 299) = ( 0.0000000 0.0000000 0.2537122), wk = 0.0018248 k( 300) = ( 0.0000000 0.0000000 0.2443154), wk = 0.0018248 k( 301) = ( 0.0000000 0.0000000 0.2349187), wk = 0.0018248 k( 302) = ( 0.0000000 0.0000000 0.2255220), wk = 0.0018248 k( 303) = ( 0.0000000 0.0000000 0.2161252), wk = 0.0018248 k( 304) = ( 0.0000000 0.0000000 0.2067285), wk = 0.0018248 k( 305) = ( 0.0000000 0.0000000 0.1973317), wk = 0.0018248 k( 306) = ( 0.0000000 0.0000000 0.1879350), wk = 0.0018248 k( 307) = ( 0.0000000 0.0000000 0.1785382), wk = 0.0018248 k( 308) = ( 0.0000000 0.0000000 0.1691415), wk = 0.0018248 k( 309) = ( 0.0000000 0.0000000 0.1597447), wk = 0.0018248 k( 310) = ( 0.0000000 0.0000000 0.1503480), wk = 0.0018248 k( 311) = ( 0.0000000 0.0000000 0.1409512), wk = 0.0018248 k( 312) = ( 0.0000000 0.0000000 0.1315545), wk = 0.0018248 k( 313) = ( 0.0000000 0.0000000 0.1221577), wk = 0.0018248 k( 314) = ( 0.0000000 0.0000000 0.1127610), wk = 0.0018248 k( 315) = ( 0.0000000 0.0000000 0.1033642), wk = 0.0018248 k( 316) = ( 0.0000000 0.0000000 0.0939675), wk = 0.0018248 k( 317) = ( 0.0000000 0.0000000 0.0845707), wk = 0.0018248 k( 318) = ( 0.0000000 0.0000000 0.0751740), wk = 0.0018248 k( 319) = ( 0.0000000 0.0000000 0.0657772), wk = 0.0018248 k( 320) = ( 0.0000000 0.0000000 0.0563805), wk = 0.0018248 k( 321) = ( 0.0000000 0.0000000 0.0469837), wk = 0.0018248 k( 322) = ( 0.0000000 0.0000000 0.0375870), wk = 0.0018248 k( 323) = ( 0.0000000 0.0000000 0.0281902), wk = 0.0018248 k( 324) = ( 0.0000000 0.0000000 0.0187935), wk = 0.0018248 k( 325) = ( 0.0000000 0.0000000 0.0093968), wk = 0.0018248 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 328) = ( -0.0067568 0.0067568 0.0000000), wk = 0.0018248 k( 329) = ( -0.0135135 0.0135135 0.0000000), wk = 0.0018248 k( 330) = ( -0.0202703 0.0202703 0.0000000), wk = 0.0018248 k( 331) = ( -0.0270270 0.0270270 0.0000000), wk = 0.0018248 k( 332) = ( -0.0337838 0.0337838 0.0000000), wk = 0.0018248 k( 333) = ( -0.0405405 0.0405405 0.0000000), wk = 0.0018248 k( 334) = ( -0.0472973 0.0472973 0.0000000), wk = 0.0018248 k( 335) = ( -0.0540540 0.0540540 0.0000000), wk = 0.0018248 k( 336) = ( -0.0608108 0.0608108 0.0000000), wk = 0.0018248 k( 337) = ( -0.0675676 0.0675676 0.0000000), wk = 0.0018248 k( 338) = ( -0.0743243 0.0743243 0.0000000), wk = 0.0018248 k( 339) = ( -0.0810811 0.0810811 0.0000000), wk = 0.0018248 k( 340) = ( -0.0878378 0.0878378 0.0000000), wk = 0.0018248 k( 341) = ( -0.0945946 0.0945946 0.0000000), wk = 0.0018248 k( 342) = ( -0.1013514 0.1013513 0.0000000), wk = 0.0018248 k( 343) = ( -0.1081081 0.1081081 0.0000000), wk = 0.0018248 k( 344) = ( -0.1148649 0.1148649 0.0000000), wk = 0.0018248 k( 345) = ( -0.1216216 0.1216216 0.0000000), wk = 0.0018248 k( 346) = ( -0.1283784 0.1283784 0.0000000), wk = 0.0018248 k( 347) = ( -0.1351351 0.1351351 0.0000000), wk = 0.0018248 k( 348) = ( -0.1418919 0.1418919 0.0000000), wk = 0.0018248 k( 349) = ( -0.1486486 0.1486486 0.0000000), wk = 0.0018248 k( 350) = ( -0.1554054 0.1554054 0.0000000), wk = 0.0018248 k( 351) = ( -0.1621622 0.1621622 0.0000000), wk = 0.0018248 k( 352) = ( -0.1689189 0.1689189 0.0000000), wk = 0.0018248 k( 353) = ( -0.1756757 0.1756757 0.0000000), wk = 0.0018248 k( 354) = ( -0.1824324 0.1824324 0.0000000), wk = 0.0018248 k( 355) = ( -0.1891892 0.1891892 0.0000000), wk = 0.0018248 k( 356) = ( -0.1959460 0.1959459 0.0000000), wk = 0.0018248 k( 357) = ( -0.2027027 0.2027027 0.0000000), wk = 0.0018248 k( 358) = ( -0.2094595 0.2094595 0.0000000), wk = 0.0018248 k( 359) = ( -0.2162162 0.2162162 0.0000000), wk = 0.0018248 k( 360) = ( -0.2229730 0.2229730 0.0000000), wk = 0.0018248 k( 361) = ( -0.2297297 0.2297297 0.0000000), wk = 0.0018248 k( 362) = ( -0.2364865 0.2364865 0.0000000), wk = 0.0018248 k( 363) = ( -0.2432432 0.2432432 0.0000000), wk = 0.0018248 k( 364) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0018248 k( 365) = ( -0.2567568 0.2567568 0.0000000), wk = 0.0018248 k( 366) = ( -0.2635135 0.2635135 0.0000000), wk = 0.0018248 k( 367) = ( -0.2702703 0.2702703 0.0000000), wk = 0.0018248 k( 368) = ( -0.2770270 0.2770270 0.0000000), wk = 0.0018248 k( 369) = ( -0.2837838 0.2837838 0.0000000), wk = 0.0018248 k( 370) = ( -0.2905405 0.2905405 0.0000000), wk = 0.0018248 k( 371) = ( -0.2972973 0.2972973 0.0000000), wk = 0.0018248 k( 372) = ( -0.3040541 0.3040540 0.0000000), wk = 0.0018248 k( 373) = ( -0.3108108 0.3108108 0.0000000), wk = 0.0018248 k( 374) = ( -0.3175676 0.3175676 0.0000000), wk = 0.0018248 k( 375) = ( -0.3243243 0.3243243 0.0000000), wk = 0.0018248 k( 376) = ( -0.3310811 0.3310811 0.0000000), wk = 0.0018248 k( 377) = ( -0.3378378 0.3378378 0.0000000), wk = 0.0018248 k( 378) = ( -0.3445946 0.3445946 0.0000000), wk = 0.0018248 k( 379) = ( -0.3513514 0.3513513 0.0000000), wk = 0.0018248 k( 380) = ( -0.3581081 0.3581081 0.0000000), wk = 0.0018248 k( 381) = ( -0.3648649 0.3648649 0.0000000), wk = 0.0018248 k( 382) = ( -0.3716216 0.3716216 0.0000000), wk = 0.0018248 k( 383) = ( -0.3783784 0.3783784 0.0000000), wk = 0.0018248 k( 384) = ( -0.3851351 0.3851351 0.0000000), wk = 0.0018248 k( 385) = ( -0.3918919 0.3918919 0.0000000), wk = 0.0018248 k( 386) = ( -0.3986486 0.3986486 0.0000000), wk = 0.0018248 k( 387) = ( -0.4054054 0.4054054 0.0000000), wk = 0.0018248 k( 388) = ( -0.4121622 0.4121622 0.0000000), wk = 0.0018248 k( 389) = ( -0.4189189 0.4189189 0.0000000), wk = 0.0018248 k( 390) = ( -0.4256757 0.4256757 0.0000000), wk = 0.0018248 k( 391) = ( -0.4324324 0.4324324 0.0000000), wk = 0.0018248 k( 392) = ( -0.4391892 0.4391892 0.0000000), wk = 0.0018248 k( 393) = ( -0.4459459 0.4459459 0.0000000), wk = 0.0018248 k( 394) = ( -0.4527027 0.4527027 0.0000000), wk = 0.0018248 k( 395) = ( -0.4594595 0.4594595 0.0000000), wk = 0.0018248 k( 396) = ( -0.4662162 0.4662162 0.0000000), wk = 0.0018248 k( 397) = ( -0.4729730 0.4729730 0.0000000), wk = 0.0018248 k( 398) = ( -0.4797297 0.4797297 0.0000000), wk = 0.0018248 k( 399) = ( -0.4864865 0.4864865 0.0000000), wk = 0.0018248 k( 400) = ( -0.4932432 0.4932432 0.0000000), wk = 0.0018248 k( 401) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 402) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 403) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 404) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 405) = ( -0.5000000 0.5000000 0.0093968), wk = 0.0018248 k( 406) = ( -0.5000000 0.5000000 0.0187935), wk = 0.0018248 k( 407) = ( -0.5000000 0.5000000 0.0281902), wk = 0.0018248 k( 408) = ( -0.5000000 0.5000000 0.0375870), wk = 0.0018248 k( 409) = ( -0.5000000 0.5000000 0.0469837), wk = 0.0018248 k( 410) = ( -0.5000000 0.5000000 0.0563805), wk = 0.0018248 k( 411) = ( -0.5000000 0.5000000 0.0657772), wk = 0.0018248 k( 412) = ( -0.5000000 0.5000000 0.0751740), wk = 0.0018248 k( 413) = ( -0.5000000 0.5000000 0.0845707), wk = 0.0018248 k( 414) = ( -0.5000000 0.5000000 0.0939675), wk = 0.0018248 k( 415) = ( -0.5000000 0.5000000 0.1033642), wk = 0.0018248 k( 416) = ( -0.5000000 0.5000000 0.1127610), wk = 0.0018248 k( 417) = ( -0.5000000 0.5000000 0.1221577), wk = 0.0018248 k( 418) = ( -0.5000000 0.5000000 0.1315545), wk = 0.0018248 k( 419) = ( -0.5000000 0.5000000 0.1409512), wk = 0.0018248 k( 420) = ( -0.5000000 0.5000000 0.1503480), wk = 0.0018248 k( 421) = ( -0.5000000 0.5000000 0.1597447), wk = 0.0018248 k( 422) = ( -0.5000000 0.5000000 0.1691415), wk = 0.0018248 k( 423) = ( -0.5000000 0.5000000 0.1785382), wk = 0.0018248 k( 424) = ( -0.5000000 0.5000000 0.1879350), wk = 0.0018248 k( 425) = ( -0.5000000 0.5000000 0.1973317), wk = 0.0018248 k( 426) = ( -0.5000000 0.5000000 0.2067285), wk = 0.0018248 k( 427) = ( -0.5000000 0.5000000 0.2161252), wk = 0.0018248 k( 428) = ( -0.5000000 0.5000000 0.2255220), wk = 0.0018248 k( 429) = ( -0.5000000 0.5000000 0.2349187), wk = 0.0018248 k( 430) = ( -0.5000000 0.5000000 0.2443154), wk = 0.0018248 k( 431) = ( -0.5000000 0.5000000 0.2537122), wk = 0.0018248 k( 432) = ( -0.5000000 0.5000000 0.2631089), wk = 0.0018248 k( 433) = ( -0.5000000 0.5000000 0.2725057), wk = 0.0018248 k( 434) = ( -0.5000000 0.5000000 0.2819024), wk = 0.0018248 k( 435) = ( -0.5000000 0.5000000 0.2912992), wk = 0.0018248 k( 436) = ( -0.5000000 0.5000000 0.3006959), wk = 0.0018248 k( 437) = ( -0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 438) = ( -0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 439) = ( -0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 440) = ( -0.5000000 0.5000000 0.3100927), wk = 0.0018248 k( 441) = ( -0.5000000 0.5000000 0.3006959), wk = 0.0018248 k( 442) = ( -0.5000000 0.5000000 0.2912992), wk = 0.0018248 k( 443) = ( -0.5000000 0.5000000 0.2819024), wk = 0.0018248 k( 444) = ( -0.5000000 0.5000000 0.2725057), wk = 0.0018248 k( 445) = ( -0.5000000 0.5000000 0.2631089), wk = 0.0018248 k( 446) = ( -0.5000000 0.5000000 0.2537122), wk = 0.0018248 k( 447) = ( -0.5000000 0.5000000 0.2443154), wk = 0.0018248 k( 448) = ( -0.5000000 0.5000000 0.2349187), wk = 0.0018248 k( 449) = ( -0.5000000 0.5000000 0.2255220), wk = 0.0018248 k( 450) = ( -0.5000000 0.5000000 0.2161252), wk = 0.0018248 k( 451) = ( -0.5000000 0.5000000 0.2067285), wk = 0.0018248 k( 452) = ( -0.5000000 0.5000000 0.1973317), wk = 0.0018248 k( 453) = ( -0.5000000 0.5000000 0.1879350), wk = 0.0018248 k( 454) = ( -0.5000000 0.5000000 0.1785382), wk = 0.0018248 k( 455) = ( -0.5000000 0.5000000 0.1691415), wk = 0.0018248 k( 456) = ( -0.5000000 0.5000000 0.1597447), wk = 0.0018248 k( 457) = ( -0.5000000 0.5000000 0.1503480), wk = 0.0018248 k( 458) = ( -0.5000000 0.5000000 0.1409512), wk = 0.0018248 k( 459) = ( -0.5000000 0.5000000 0.1315545), wk = 0.0018248 k( 460) = ( -0.5000000 0.5000000 0.1221577), wk = 0.0018248 k( 461) = ( -0.5000000 0.5000000 0.1127610), wk = 0.0018248 k( 462) = ( -0.5000000 0.5000000 0.1033642), wk = 0.0018248 k( 463) = ( -0.5000000 0.5000000 0.0939675), wk = 0.0018248 k( 464) = ( -0.5000000 0.5000000 0.0845707), wk = 0.0018248 k( 465) = ( -0.5000000 0.5000000 0.0751740), wk = 0.0018248 k( 466) = ( -0.5000000 0.5000000 0.0657772), wk = 0.0018248 k( 467) = ( -0.5000000 0.5000000 0.0563805), wk = 0.0018248 k( 468) = ( -0.5000000 0.5000000 0.0469837), wk = 0.0018248 k( 469) = ( -0.5000000 0.5000000 0.0375870), wk = 0.0018248 k( 470) = ( -0.5000000 0.5000000 0.0281902), wk = 0.0018248 k( 471) = ( -0.5000000 0.5000000 0.0187935), wk = 0.0018248 k( 472) = ( -0.5000000 0.5000000 0.0093968), wk = 0.0018248 k( 473) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 474) = ( 0.0000000 0.0000000 0.3100927), wk = 0.0018248 k( 475) = ( -0.0067568 0.0067568 0.3100927), wk = 0.0018248 k( 476) = ( -0.0135135 0.0135135 0.3100927), wk = 0.0018248 k( 477) = ( -0.0202703 0.0202703 0.3100927), wk = 0.0018248 k( 478) = ( -0.0270270 0.0270270 0.3100927), wk = 0.0018248 k( 479) = ( -0.0337838 0.0337838 0.3100927), wk = 0.0018248 k( 480) = ( -0.0405405 0.0405405 0.3100927), wk = 0.0018248 k( 481) = ( -0.0472973 0.0472973 0.3100927), wk = 0.0018248 k( 482) = ( -0.0540540 0.0540540 0.3100927), wk = 0.0018248 k( 483) = ( -0.0608108 0.0608108 0.3100927), wk = 0.0018248 k( 484) = ( -0.0675676 0.0675676 0.3100927), wk = 0.0018248 k( 485) = ( -0.0743243 0.0743243 0.3100927), wk = 0.0018248 k( 486) = ( -0.0810811 0.0810811 0.3100927), wk = 0.0018248 k( 487) = ( -0.0878378 0.0878378 0.3100927), wk = 0.0018248 k( 488) = ( -0.0945946 0.0945946 0.3100927), wk = 0.0018248 k( 489) = ( -0.1013514 0.1013513 0.3100927), wk = 0.0018248 k( 490) = ( -0.1081081 0.1081081 0.3100927), wk = 0.0018248 k( 491) = ( -0.1148649 0.1148649 0.3100927), wk = 0.0018248 k( 492) = ( -0.1216216 0.1216216 0.3100927), wk = 0.0018248 k( 493) = ( -0.1283784 0.1283784 0.3100927), wk = 0.0018248 k( 494) = ( -0.1351351 0.1351351 0.3100927), wk = 0.0018248 k( 495) = ( -0.1418919 0.1418919 0.3100927), wk = 0.0018248 k( 496) = ( -0.1486486 0.1486486 0.3100927), wk = 0.0018248 k( 497) = ( -0.1554054 0.1554054 0.3100927), wk = 0.0018248 k( 498) = ( -0.1621622 0.1621622 0.3100927), wk = 0.0018248 k( 499) = ( -0.1689189 0.1689189 0.3100927), wk = 0.0018248 k( 500) = ( -0.1756757 0.1756757 0.3100927), wk = 0.0018248 k( 501) = ( -0.1824324 0.1824324 0.3100927), wk = 0.0018248 k( 502) = ( -0.1891892 0.1891892 0.3100927), wk = 0.0018248 k( 503) = ( -0.1959460 0.1959459 0.3100927), wk = 0.0018248 k( 504) = ( -0.2027027 0.2027027 0.3100927), wk = 0.0018248 k( 505) = ( -0.2094595 0.2094595 0.3100927), wk = 0.0018248 k( 506) = ( -0.2162162 0.2162162 0.3100927), wk = 0.0018248 k( 507) = ( -0.2229730 0.2229730 0.3100927), wk = 0.0018248 k( 508) = ( -0.2297297 0.2297297 0.3100927), wk = 0.0018248 k( 509) = ( -0.2364865 0.2364865 0.3100927), wk = 0.0018248 k( 510) = ( -0.2432432 0.2432432 0.3100927), wk = 0.0018248 k( 511) = ( -0.2500000 0.2500000 0.3100927), wk = 0.0018248 k( 512) = ( -0.2567568 0.2567568 0.3100927), wk = 0.0018248 k( 513) = ( -0.2635135 0.2635135 0.3100927), wk = 0.0018248 k( 514) = ( -0.2702703 0.2702703 0.3100927), wk = 0.0018248 k( 515) = ( -0.2770270 0.2770270 0.3100927), wk = 0.0018248 k( 516) = ( -0.2837838 0.2837838 0.3100927), wk = 0.0018248 k( 517) = ( -0.2905405 0.2905405 0.3100927), wk = 0.0018248 k( 518) = ( -0.2972973 0.2972973 0.3100927), wk = 0.0018248 k( 519) = ( -0.3040541 0.3040540 0.3100927), wk = 0.0018248 k( 520) = ( -0.3108108 0.3108108 0.3100927), wk = 0.0018248 k( 521) = ( -0.3175676 0.3175676 0.3100927), wk = 0.0018248 k( 522) = ( -0.3243243 0.3243243 0.3100927), wk = 0.0018248 k( 523) = ( -0.3310811 0.3310811 0.3100927), wk = 0.0018248 k( 524) = ( -0.3378378 0.3378378 0.3100927), wk = 0.0018248 k( 525) = ( -0.3445946 0.3445946 0.3100927), wk = 0.0018248 k( 526) = ( -0.3513514 0.3513513 0.3100927), wk = 0.0018248 k( 527) = ( -0.3581081 0.3581081 0.3100927), wk = 0.0018248 k( 528) = ( -0.3648649 0.3648649 0.3100927), wk = 0.0018248 k( 529) = ( -0.3716216 0.3716216 0.3100927), wk = 0.0018248 k( 530) = ( -0.3783784 0.3783784 0.3100927), wk = 0.0018248 k( 531) = ( -0.3851351 0.3851351 0.3100927), wk = 0.0018248 k( 532) = ( -0.3918919 0.3918919 0.3100927), wk = 0.0018248 k( 533) = ( -0.3986486 0.3986486 0.3100927), wk = 0.0018248 k( 534) = ( -0.4054054 0.4054054 0.3100927), wk = 0.0018248 k( 535) = ( -0.4121622 0.4121622 0.3100927), wk = 0.0018248 k( 536) = ( -0.4189189 0.4189189 0.3100927), wk = 0.0018248 k( 537) = ( -0.4256757 0.4256757 0.3100927), wk = 0.0018248 k( 538) = ( -0.4324324 0.4324324 0.3100927), wk = 0.0018248 k( 539) = ( -0.4391892 0.4391892 0.3100927), wk = 0.0018248 k( 540) = ( -0.4459459 0.4459459 0.3100927), wk = 0.0018248 k( 541) = ( -0.4527027 0.4527027 0.3100927), wk = 0.0018248 k( 542) = ( -0.4594595 0.4594595 0.3100927), wk = 0.0018248 k( 543) = ( -0.4662162 0.4662162 0.3100927), wk = 0.0018248 k( 544) = ( -0.4729730 0.4729730 0.3100927), wk = 0.0018248 k( 545) = ( -0.4797297 0.4797297 0.3100927), wk = 0.0018248 k( 546) = ( -0.4864865 0.4864865 0.3100927), wk = 0.0018248 k( 547) = ( -0.4932432 0.4932432 0.3100927), wk = 0.0018248 k( 548) = ( -0.5000000 0.5000000 0.3100927), wk = 0.0018248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0067568 0.0067568 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0135135 0.0135135 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0202703 0.0202703 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0270270 0.0270270 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0337838 0.0337838 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0405405 0.0405405 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0472973 0.0472973 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0540540 0.0540540 0.0000000), wk = 0.0018248 k( 10) = ( 0.0608108 0.0608108 0.0000000), wk = 0.0018248 k( 11) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0018248 k( 12) = ( 0.0743243 0.0743243 0.0000000), wk = 0.0018248 k( 13) = ( 0.0810811 0.0810811 -0.0000000), wk = 0.0018248 k( 14) = ( 0.0878378 0.0878378 -0.0000000), wk = 0.0018248 k( 15) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1013514 0.1013514 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1081081 0.1081081 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1148649 0.1148649 -0.0000000), wk = 0.0018248 k( 19) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0018248 k( 20) = ( 0.1283784 0.1283784 -0.0000000), wk = 0.0018248 k( 21) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0018248 k( 22) = ( 0.1418919 0.1418919 -0.0000000), wk = 0.0018248 k( 23) = ( 0.1486486 0.1486486 -0.0000000), wk = 0.0018248 k( 24) = ( 0.1554054 0.1554054 -0.0000000), wk = 0.0018248 k( 25) = ( 0.1621622 0.1621622 -0.0000000), wk = 0.0018248 k( 26) = ( 0.1689189 0.1689189 -0.0000000), wk = 0.0018248 k( 27) = ( 0.1756757 0.1756757 -0.0000000), wk = 0.0018248 k( 28) = ( 0.1824324 0.1824324 -0.0000000), wk = 0.0018248 k( 29) = ( 0.1891892 0.1891892 -0.0000000), wk = 0.0018248 k( 30) = ( 0.1959460 0.1959460 -0.0000000), wk = 0.0018248 k( 31) = ( 0.2027027 0.2027027 -0.0000000), wk = 0.0018248 k( 32) = ( 0.2094595 0.2094595 -0.0000000), wk = 0.0018248 k( 33) = ( 0.2162162 0.2162162 -0.0000000), wk = 0.0018248 k( 34) = ( 0.2229730 0.2229730 0.0000000), wk = 0.0018248 k( 35) = ( 0.2297297 0.2297297 -0.0000000), wk = 0.0018248 k( 36) = ( 0.2364865 0.2364865 -0.0000000), wk = 0.0018248 k( 37) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0018248 k( 38) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.2567568 0.2567568 -0.0000000), wk = 0.0018248 k( 40) = ( 0.2635135 0.2635135 -0.0000000), wk = 0.0018248 k( 41) = ( 0.2702703 0.2702703 -0.0000000), wk = 0.0018248 k( 42) = ( 0.2770270 0.2770270 -0.0000000), wk = 0.0018248 k( 43) = ( 0.2837838 0.2837838 -0.0000000), wk = 0.0018248 k( 44) = ( 0.2905405 0.2905405 -0.0000000), wk = 0.0018248 k( 45) = ( 0.2972973 0.2972973 -0.0000000), wk = 0.0018248 k( 46) = ( 0.3040541 0.3040541 -0.0000000), wk = 0.0018248 k( 47) = ( 0.3108108 0.3108108 0.0000000), wk = 0.0018248 k( 48) = ( 0.3175676 0.3175676 -0.0000000), wk = 0.0018248 k( 49) = ( 0.3243243 0.3243243 -0.0000000), wk = 0.0018248 k( 50) = ( 0.3310811 0.3310811 -0.0000000), wk = 0.0018248 k( 51) = ( 0.3378378 0.3378378 -0.0000000), wk = 0.0018248 k( 52) = ( 0.3445946 0.3445946 -0.0000000), wk = 0.0018248 k( 53) = ( 0.3513514 0.3513514 -0.0000000), wk = 0.0018248 k( 54) = ( 0.3581081 0.3581081 -0.0000000), wk = 0.0018248 k( 55) = ( 0.3648649 0.3648649 -0.0000000), wk = 0.0018248 k( 56) = ( 0.3716216 0.3716216 -0.0000000), wk = 0.0018248 k( 57) = ( 0.3783784 0.3783784 -0.0000000), wk = 0.0018248 k( 58) = ( 0.3851351 0.3851351 -0.0000000), wk = 0.0018248 k( 59) = ( 0.3918919 0.3918919 -0.0000000), wk = 0.0018248 k( 60) = ( 0.3986486 0.3986486 -0.0000000), wk = 0.0018248 k( 61) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0018248 k( 62) = ( 0.4121622 0.4121622 -0.0000000), wk = 0.0018248 k( 63) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0018248 k( 64) = ( 0.4256757 0.4256757 -0.0000000), wk = 0.0018248 k( 65) = ( 0.4324324 0.4324324 -0.0000000), wk = 0.0018248 k( 66) = ( 0.4391892 0.4391892 -0.0000000), wk = 0.0018248 k( 67) = ( 0.4459459 0.4459459 -0.0000000), wk = 0.0018248 k( 68) = ( 0.4527027 0.4527027 -0.0000000), wk = 0.0018248 k( 69) = ( 0.4594595 0.4594595 -0.0000000), wk = 0.0018248 k( 70) = ( 0.4662162 0.4662162 -0.0000000), wk = 0.0018248 k( 71) = ( 0.4729730 0.4729730 -0.0000000), wk = 0.0018248 k( 72) = ( 0.4797297 0.4797297 -0.0000000), wk = 0.0018248 k( 73) = ( 0.4864865 0.4864865 -0.0000000), wk = 0.0018248 k( 74) = ( 0.4932432 0.4932432 0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 77) = ( 0.4905660 0.5000000 -0.0000000), wk = 0.0018248 k( 78) = ( 0.4811321 0.5000000 0.0000000), wk = 0.0018248 k( 79) = ( 0.4716981 0.5000000 0.0000000), wk = 0.0018248 k( 80) = ( 0.4622641 0.5000000 -0.0000000), wk = 0.0018248 k( 81) = ( 0.4528302 0.5000000 -0.0000000), wk = 0.0018248 k( 82) = ( 0.4433962 0.5000000 0.0000000), wk = 0.0018248 k( 83) = ( 0.4339623 0.5000000 0.0000000), wk = 0.0018248 k( 84) = ( 0.4245283 0.5000000 0.0000000), wk = 0.0018248 k( 85) = ( 0.4150943 0.5000000 -0.0000000), wk = 0.0018248 k( 86) = ( 0.4056604 0.5000000 -0.0000000), wk = 0.0018248 k( 87) = ( 0.3962264 0.5000000 -0.0000000), wk = 0.0018248 k( 88) = ( 0.3867925 0.5000000 -0.0000000), wk = 0.0018248 k( 89) = ( 0.3773585 0.5000000 -0.0000000), wk = 0.0018248 k( 90) = ( 0.3679245 0.5000000 -0.0000000), wk = 0.0018248 k( 91) = ( 0.3584906 0.5000000 -0.0000000), wk = 0.0018248 k( 92) = ( 0.3490566 0.5000000 -0.0000000), wk = 0.0018248 k( 93) = ( 0.3396226 0.5000000 -0.0000000), wk = 0.0018248 k( 94) = ( 0.3301887 0.5000000 -0.0000000), wk = 0.0018248 k( 95) = ( 0.3207547 0.5000000 -0.0000000), wk = 0.0018248 k( 96) = ( 0.3113207 0.5000000 -0.0000000), wk = 0.0018248 k( 97) = ( 0.3018868 0.5000000 -0.0000000), wk = 0.0018248 k( 98) = ( 0.2924528 0.5000000 0.0000000), wk = 0.0018248 k( 99) = ( 0.2830189 0.5000000 -0.0000000), wk = 0.0018248 k( 100) = ( 0.2735849 0.5000000 -0.0000000), wk = 0.0018248 k( 101) = ( 0.2641509 0.5000000 -0.0000000), wk = 0.0018248 k( 102) = ( 0.2547170 0.5000000 -0.0000000), wk = 0.0018248 k( 103) = ( 0.2452830 0.5000000 -0.0000000), wk = 0.0018248 k( 104) = ( 0.2358491 0.5000000 -0.0000000), wk = 0.0018248 k( 105) = ( 0.2264151 0.5000000 -0.0000000), wk = 0.0018248 k( 106) = ( 0.2169811 0.5000000 -0.0000000), wk = 0.0018248 k( 107) = ( 0.2075472 0.5000000 -0.0000000), wk = 0.0018248 k( 108) = ( 0.1981132 0.5000000 0.0000000), wk = 0.0018248 k( 109) = ( 0.1886792 0.5000000 -0.0000000), wk = 0.0018248 k( 110) = ( 0.1792453 0.5000000 0.0000000), wk = 0.0018248 k( 111) = ( 0.1698113 0.5000000 -0.0000000), wk = 0.0018248 k( 112) = ( 0.1603774 0.5000000 -0.0000000), wk = 0.0018248 k( 113) = ( 0.1509434 0.5000000 0.0000000), wk = 0.0018248 k( 114) = ( 0.1415094 0.5000000 0.0000000), wk = 0.0018248 k( 115) = ( 0.1320755 0.5000000 -0.0000000), wk = 0.0018248 k( 116) = ( 0.1226415 0.5000000 -0.0000000), wk = 0.0018248 k( 117) = ( 0.1132076 0.5000000 -0.0000000), wk = 0.0018248 k( 118) = ( 0.1037736 0.5000000 -0.0000000), wk = 0.0018248 k( 119) = ( 0.0943396 0.5000000 -0.0000000), wk = 0.0018248 k( 120) = ( 0.0849057 0.5000000 -0.0000000), wk = 0.0018248 k( 121) = ( 0.0754717 0.5000000 -0.0000000), wk = 0.0018248 k( 122) = ( 0.0660377 0.5000000 -0.0000000), wk = 0.0018248 k( 123) = ( 0.0566038 0.5000000 -0.0000000), wk = 0.0018248 k( 124) = ( 0.0471698 0.5000000 -0.0000000), wk = 0.0018248 k( 125) = ( 0.0377359 0.5000000 -0.0000000), wk = 0.0018248 k( 126) = ( 0.0283019 0.5000000 -0.0000000), wk = 0.0018248 k( 127) = ( 0.0188679 0.5000000 0.0000000), wk = 0.0018248 k( 128) = ( 0.0094340 0.5000000 -0.0000000), wk = 0.0018248 k( 129) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 130) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018248 k( 131) = ( 0.0000000 0.5000000 0.0151515), wk = 0.0018248 k( 132) = ( 0.0000000 0.5000000 0.0303030), wk = 0.0018248 k( 133) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0018248 k( 134) = ( 0.0000000 0.5000000 0.0606061), wk = 0.0018248 k( 135) = ( 0.0000000 0.5000000 0.0757576), wk = 0.0018248 k( 136) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0018248 k( 137) = ( 0.0000000 0.5000000 0.1060606), wk = 0.0018248 k( 138) = ( 0.0000000 0.5000000 0.1212121), wk = 0.0018248 k( 139) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0018248 k( 140) = ( 0.0000000 0.5000000 0.1515151), wk = 0.0018248 k( 141) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0018248 k( 142) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0018248 k( 143) = ( 0.0000000 0.5000000 0.1969697), wk = 0.0018248 k( 144) = ( 0.0000000 0.5000000 0.2121212), wk = 0.0018248 k( 145) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0018248 k( 146) = ( 0.0000000 0.5000000 0.2424242), wk = 0.0018248 k( 147) = ( 0.0000000 0.5000000 0.2575758), wk = 0.0018248 k( 148) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0018248 k( 149) = ( 0.0000000 0.5000000 0.2878788), wk = 0.0018248 k( 150) = ( 0.0000000 0.5000000 0.3030303), wk = 0.0018248 k( 151) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0018248 k( 152) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0018248 k( 153) = ( 0.0000000 0.5000000 0.3484849), wk = 0.0018248 k( 154) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0018248 k( 155) = ( 0.0000000 0.5000000 0.3787879), wk = 0.0018248 k( 156) = ( 0.0000000 0.5000000 0.3939394), wk = 0.0018248 k( 157) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0018248 k( 158) = ( 0.0000000 0.5000000 0.4242424), wk = 0.0018248 k( 159) = ( 0.0000000 0.5000000 0.4393939), wk = 0.0018248 k( 160) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0018248 k( 161) = ( 0.0000000 0.5000000 0.4696970), wk = 0.0018248 k( 162) = ( 0.0000000 0.5000000 0.4848485), wk = 0.0018248 k( 163) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 165) = ( 0.0094340 0.5000000 0.5000000), wk = 0.0018248 k( 166) = ( 0.0188679 0.5000000 0.5000000), wk = 0.0018248 k( 167) = ( 0.0283019 0.5000000 0.5000000), wk = 0.0018248 k( 168) = ( 0.0377359 0.5000000 0.5000000), wk = 0.0018248 k( 169) = ( 0.0471698 0.5000000 0.5000000), wk = 0.0018248 k( 170) = ( 0.0566038 0.5000000 0.5000000), wk = 0.0018248 k( 171) = ( 0.0660377 0.5000000 0.5000000), wk = 0.0018248 k( 172) = ( 0.0754717 0.5000000 0.5000000), wk = 0.0018248 k( 173) = ( 0.0849057 0.5000000 0.5000000), wk = 0.0018248 k( 174) = ( 0.0943396 0.5000000 0.5000000), wk = 0.0018248 k( 175) = ( 0.1037736 0.5000000 0.5000000), wk = 0.0018248 k( 176) = ( 0.1132076 0.5000000 0.5000000), wk = 0.0018248 k( 177) = ( 0.1226415 0.5000000 0.5000000), wk = 0.0018248 k( 178) = ( 0.1320755 0.5000000 0.5000000), wk = 0.0018248 k( 179) = ( 0.1415094 0.5000000 0.5000000), wk = 0.0018248 k( 180) = ( 0.1509434 0.5000000 0.5000000), wk = 0.0018248 k( 181) = ( 0.1603774 0.5000000 0.5000000), wk = 0.0018248 k( 182) = ( 0.1698113 0.5000000 0.5000000), wk = 0.0018248 k( 183) = ( 0.1792453 0.5000000 0.5000000), wk = 0.0018248 k( 184) = ( 0.1886792 0.5000000 0.5000000), wk = 0.0018248 k( 185) = ( 0.1981132 0.5000000 0.5000000), wk = 0.0018248 k( 186) = ( 0.2075472 0.5000000 0.5000000), wk = 0.0018248 k( 187) = ( 0.2169811 0.5000000 0.5000000), wk = 0.0018248 k( 188) = ( 0.2264151 0.5000000 0.5000000), wk = 0.0018248 k( 189) = ( 0.2358491 0.5000000 0.5000000), wk = 0.0018248 k( 190) = ( 0.2452830 0.5000000 0.5000000), wk = 0.0018248 k( 191) = ( 0.2547170 0.5000000 0.5000000), wk = 0.0018248 k( 192) = ( 0.2641509 0.5000000 0.5000000), wk = 0.0018248 k( 193) = ( 0.2735849 0.5000000 0.5000000), wk = 0.0018248 k( 194) = ( 0.2830189 0.5000000 0.5000000), wk = 0.0018248 k( 195) = ( 0.2924528 0.5000000 0.5000000), wk = 0.0018248 k( 196) = ( 0.3018868 0.5000000 0.5000000), wk = 0.0018248 k( 197) = ( 0.3113207 0.5000000 0.5000000), wk = 0.0018248 k( 198) = ( 0.3207547 0.5000000 0.5000000), wk = 0.0018248 k( 199) = ( 0.3301887 0.5000000 0.5000000), wk = 0.0018248 k( 200) = ( 0.3396226 0.5000000 0.5000000), wk = 0.0018248 k( 201) = ( 0.3490566 0.5000000 0.5000000), wk = 0.0018248 k( 202) = ( 0.3584906 0.5000000 0.5000000), wk = 0.0018248 k( 203) = ( 0.3679245 0.5000000 0.5000000), wk = 0.0018248 k( 204) = ( 0.3773585 0.5000000 0.5000000), wk = 0.0018248 k( 205) = ( 0.3867925 0.5000000 0.5000000), wk = 0.0018248 k( 206) = ( 0.3962264 0.5000000 0.5000000), wk = 0.0018248 k( 207) = ( 0.4056604 0.5000000 0.5000000), wk = 0.0018248 k( 208) = ( 0.4150943 0.5000000 0.5000000), wk = 0.0018248 k( 209) = ( 0.4245283 0.5000000 0.5000000), wk = 0.0018248 k( 210) = ( 0.4339623 0.5000000 0.5000000), wk = 0.0018248 k( 211) = ( 0.4433962 0.5000000 0.5000000), wk = 0.0018248 k( 212) = ( 0.4528302 0.5000000 0.5000000), wk = 0.0018248 k( 213) = ( 0.4622641 0.5000000 0.5000000), wk = 0.0018248 k( 214) = ( 0.4716981 0.5000000 0.5000000), wk = 0.0018248 k( 215) = ( 0.4811321 0.5000000 0.5000000), wk = 0.0018248 k( 216) = ( 0.4905660 0.5000000 0.5000000), wk = 0.0018248 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 219) = ( 0.4932432 0.4932432 0.5000000), wk = 0.0018248 k( 220) = ( 0.4864865 0.4864865 0.5000000), wk = 0.0018248 k( 221) = ( 0.4797297 0.4797297 0.5000000), wk = 0.0018248 k( 222) = ( 0.4729730 0.4729730 0.5000000), wk = 0.0018248 k( 223) = ( 0.4662162 0.4662162 0.5000000), wk = 0.0018248 k( 224) = ( 0.4594595 0.4594595 0.5000000), wk = 0.0018248 k( 225) = ( 0.4527027 0.4527027 0.5000000), wk = 0.0018248 k( 226) = ( 0.4459459 0.4459459 0.5000000), wk = 0.0018248 k( 227) = ( 0.4391892 0.4391892 0.5000000), wk = 0.0018248 k( 228) = ( 0.4324324 0.4324324 0.5000000), wk = 0.0018248 k( 229) = ( 0.4256757 0.4256757 0.5000000), wk = 0.0018248 k( 230) = ( 0.4189189 0.4189189 0.5000000), wk = 0.0018248 k( 231) = ( 0.4121622 0.4121622 0.5000000), wk = 0.0018248 k( 232) = ( 0.4054054 0.4054054 0.5000000), wk = 0.0018248 k( 233) = ( 0.3986486 0.3986486 0.5000000), wk = 0.0018248 k( 234) = ( 0.3918919 0.3918919 0.5000000), wk = 0.0018248 k( 235) = ( 0.3851351 0.3851351 0.5000000), wk = 0.0018248 k( 236) = ( 0.3783784 0.3783784 0.5000000), wk = 0.0018248 k( 237) = ( 0.3716216 0.3716216 0.5000000), wk = 0.0018248 k( 238) = ( 0.3648649 0.3648649 0.5000000), wk = 0.0018248 k( 239) = ( 0.3581081 0.3581081 0.5000000), wk = 0.0018248 k( 240) = ( 0.3513514 0.3513514 0.5000000), wk = 0.0018248 k( 241) = ( 0.3445946 0.3445946 0.5000000), wk = 0.0018248 k( 242) = ( 0.3378378 0.3378378 0.5000000), wk = 0.0018248 k( 243) = ( 0.3310811 0.3310811 0.5000000), wk = 0.0018248 k( 244) = ( 0.3243243 0.3243243 0.5000000), wk = 0.0018248 k( 245) = ( 0.3175676 0.3175676 0.5000000), wk = 0.0018248 k( 246) = ( 0.3108108 0.3108108 0.5000000), wk = 0.0018248 k( 247) = ( 0.3040541 0.3040541 0.5000000), wk = 0.0018248 k( 248) = ( 0.2972973 0.2972973 0.5000000), wk = 0.0018248 k( 249) = ( 0.2905405 0.2905405 0.5000000), wk = 0.0018248 k( 250) = ( 0.2837838 0.2837838 0.5000000), wk = 0.0018248 k( 251) = ( 0.2770270 0.2770270 0.5000000), wk = 0.0018248 k( 252) = ( 0.2702703 0.2702703 0.5000000), wk = 0.0018248 k( 253) = ( 0.2635135 0.2635135 0.5000000), wk = 0.0018248 k( 254) = ( 0.2567568 0.2567568 0.5000000), wk = 0.0018248 k( 255) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0018248 k( 256) = ( 0.2432432 0.2432432 0.5000000), wk = 0.0018248 k( 257) = ( 0.2364865 0.2364865 0.5000000), wk = 0.0018248 k( 258) = ( 0.2297297 0.2297297 0.5000000), wk = 0.0018248 k( 259) = ( 0.2229730 0.2229730 0.5000000), wk = 0.0018248 k( 260) = ( 0.2162162 0.2162162 0.5000000), wk = 0.0018248 k( 261) = ( 0.2094595 0.2094595 0.5000000), wk = 0.0018248 k( 262) = ( 0.2027027 0.2027027 0.5000000), wk = 0.0018248 k( 263) = ( 0.1959460 0.1959460 0.5000000), wk = 0.0018248 k( 264) = ( 0.1891892 0.1891892 0.5000000), wk = 0.0018248 k( 265) = ( 0.1824324 0.1824324 0.5000000), wk = 0.0018248 k( 266) = ( 0.1756757 0.1756757 0.5000000), wk = 0.0018248 k( 267) = ( 0.1689189 0.1689189 0.5000000), wk = 0.0018248 k( 268) = ( 0.1621622 0.1621622 0.5000000), wk = 0.0018248 k( 269) = ( 0.1554054 0.1554054 0.5000000), wk = 0.0018248 k( 270) = ( 0.1486486 0.1486486 0.5000000), wk = 0.0018248 k( 271) = ( 0.1418919 0.1418919 0.5000000), wk = 0.0018248 k( 272) = ( 0.1351351 0.1351351 0.5000000), wk = 0.0018248 k( 273) = ( 0.1283784 0.1283784 0.5000000), wk = 0.0018248 k( 274) = ( 0.1216216 0.1216216 0.5000000), wk = 0.0018248 k( 275) = ( 0.1148649 0.1148649 0.5000000), wk = 0.0018248 k( 276) = ( 0.1081081 0.1081081 0.5000000), wk = 0.0018248 k( 277) = ( 0.1013514 0.1013514 0.5000000), wk = 0.0018248 k( 278) = ( 0.0945946 0.0945946 0.5000000), wk = 0.0018248 k( 279) = ( 0.0878378 0.0878378 0.5000000), wk = 0.0018248 k( 280) = ( 0.0810811 0.0810811 0.5000000), wk = 0.0018248 k( 281) = ( 0.0743243 0.0743243 0.5000000), wk = 0.0018248 k( 282) = ( 0.0675676 0.0675676 0.5000000), wk = 0.0018248 k( 283) = ( 0.0608108 0.0608108 0.5000000), wk = 0.0018248 k( 284) = ( 0.0540540 0.0540540 0.5000000), wk = 0.0018248 k( 285) = ( 0.0472973 0.0472973 0.5000000), wk = 0.0018248 k( 286) = ( 0.0405405 0.0405405 0.5000000), wk = 0.0018248 k( 287) = ( 0.0337838 0.0337838 0.5000000), wk = 0.0018248 k( 288) = ( 0.0270270 0.0270270 0.5000000), wk = 0.0018248 k( 289) = ( 0.0202703 0.0202703 0.5000000), wk = 0.0018248 k( 290) = ( 0.0135135 0.0135135 0.5000000), wk = 0.0018248 k( 291) = ( 0.0067568 0.0067568 0.5000000), wk = 0.0018248 k( 292) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 293) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 294) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0018248 k( 295) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0018248 k( 296) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0018248 k( 297) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0018248 k( 298) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0018248 k( 299) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0018248 k( 300) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0018248 k( 301) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0018248 k( 302) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0018248 k( 303) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0018248 k( 304) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0018248 k( 305) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0018248 k( 306) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0018248 k( 307) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0018248 k( 308) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0018248 k( 309) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0018248 k( 310) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0018248 k( 311) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0018248 k( 312) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0018248 k( 313) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0018248 k( 314) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0018248 k( 315) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0018248 k( 316) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0018248 k( 317) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0018248 k( 318) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0018248 k( 319) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0018248 k( 320) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0018248 k( 321) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0018248 k( 322) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0018248 k( 323) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0018248 k( 324) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0018248 k( 325) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0018248 k( 326) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 327) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 328) = ( -0.0067568 0.0067568 0.0000000), wk = 0.0018248 k( 329) = ( -0.0135135 0.0135135 0.0000000), wk = 0.0018248 k( 330) = ( -0.0202703 0.0202703 -0.0000000), wk = 0.0018248 k( 331) = ( -0.0270270 0.0270270 0.0000000), wk = 0.0018248 k( 332) = ( -0.0337838 0.0337838 0.0000000), wk = 0.0018248 k( 333) = ( -0.0405405 0.0405405 -0.0000000), wk = 0.0018248 k( 334) = ( -0.0472973 0.0472973 -0.0000000), wk = 0.0018248 k( 335) = ( -0.0540540 0.0540540 -0.0000000), wk = 0.0018248 k( 336) = ( -0.0608108 0.0608108 -0.0000000), wk = 0.0018248 k( 337) = ( -0.0675676 0.0675676 -0.0000000), wk = 0.0018248 k( 338) = ( -0.0743243 0.0743243 0.0000000), wk = 0.0018248 k( 339) = ( -0.0810811 0.0810811 -0.0000000), wk = 0.0018248 k( 340) = ( -0.0878378 0.0878378 -0.0000000), wk = 0.0018248 k( 341) = ( -0.0945946 0.0945946 0.0000000), wk = 0.0018248 k( 342) = ( -0.1013514 0.1013514 0.0000000), wk = 0.0018248 k( 343) = ( -0.1081081 0.1081081 0.0000000), wk = 0.0018248 k( 344) = ( -0.1148649 0.1148649 0.0000000), wk = 0.0018248 k( 345) = ( -0.1216216 0.1216216 -0.0000000), wk = 0.0018248 k( 346) = ( -0.1283784 0.1283784 0.0000000), wk = 0.0018248 k( 347) = ( -0.1351351 0.1351351 -0.0000000), wk = 0.0018248 k( 348) = ( -0.1418919 0.1418919 0.0000000), wk = 0.0018248 k( 349) = ( -0.1486486 0.1486486 0.0000000), wk = 0.0018248 k( 350) = ( -0.1554054 0.1554054 0.0000000), wk = 0.0018248 k( 351) = ( -0.1621622 0.1621622 -0.0000000), wk = 0.0018248 k( 352) = ( -0.1689189 0.1689189 0.0000000), wk = 0.0018248 k( 353) = ( -0.1756757 0.1756757 -0.0000000), wk = 0.0018248 k( 354) = ( -0.1824324 0.1824324 -0.0000000), wk = 0.0018248 k( 355) = ( -0.1891892 0.1891892 0.0000000), wk = 0.0018248 k( 356) = ( -0.1959460 0.1959460 -0.0000000), wk = 0.0018248 k( 357) = ( -0.2027027 0.2027027 0.0000000), wk = 0.0018248 k( 358) = ( -0.2094595 0.2094595 -0.0000000), wk = 0.0018248 k( 359) = ( -0.2162162 0.2162162 0.0000000), wk = 0.0018248 k( 360) = ( -0.2229730 0.2229730 -0.0000000), wk = 0.0018248 k( 361) = ( -0.2297297 0.2297297 0.0000000), wk = 0.0018248 k( 362) = ( -0.2364865 0.2364865 0.0000000), wk = 0.0018248 k( 363) = ( -0.2432432 0.2432432 -0.0000000), wk = 0.0018248 k( 364) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0018248 k( 365) = ( -0.2567568 0.2567568 0.0000000), wk = 0.0018248 k( 366) = ( -0.2635135 0.2635135 -0.0000000), wk = 0.0018248 k( 367) = ( -0.2702703 0.2702703 0.0000000), wk = 0.0018248 k( 368) = ( -0.2770270 0.2770270 0.0000000), wk = 0.0018248 k( 369) = ( -0.2837838 0.2837838 0.0000000), wk = 0.0018248 k( 370) = ( -0.2905405 0.2905405 -0.0000000), wk = 0.0018248 k( 371) = ( -0.2972973 0.2972973 0.0000000), wk = 0.0018248 k( 372) = ( -0.3040541 0.3040541 0.0000000), wk = 0.0018248 k( 373) = ( -0.3108108 0.3108108 0.0000000), wk = 0.0018248 k( 374) = ( -0.3175676 0.3175676 0.0000000), wk = 0.0018248 k( 375) = ( -0.3243243 0.3243243 -0.0000000), wk = 0.0018248 k( 376) = ( -0.3310811 0.3310811 0.0000000), wk = 0.0018248 k( 377) = ( -0.3378378 0.3378378 0.0000000), wk = 0.0018248 k( 378) = ( -0.3445946 0.3445946 0.0000000), wk = 0.0018248 k( 379) = ( -0.3513514 0.3513514 -0.0000000), wk = 0.0018248 k( 380) = ( -0.3581081 0.3581081 -0.0000000), wk = 0.0018248 k( 381) = ( -0.3648649 0.3648649 -0.0000000), wk = 0.0018248 k( 382) = ( -0.3716216 0.3716216 0.0000000), wk = 0.0018248 k( 383) = ( -0.3783784 0.3783784 0.0000000), wk = 0.0018248 k( 384) = ( -0.3851351 0.3851351 0.0000000), wk = 0.0018248 k( 385) = ( -0.3918919 0.3918919 0.0000000), wk = 0.0018248 k( 386) = ( -0.3986486 0.3986486 0.0000000), wk = 0.0018248 k( 387) = ( -0.4054054 0.4054054 0.0000000), wk = 0.0018248 k( 388) = ( -0.4121622 0.4121622 0.0000000), wk = 0.0018248 k( 389) = ( -0.4189189 0.4189189 -0.0000000), wk = 0.0018248 k( 390) = ( -0.4256757 0.4256757 0.0000000), wk = 0.0018248 k( 391) = ( -0.4324324 0.4324324 0.0000000), wk = 0.0018248 k( 392) = ( -0.4391892 0.4391892 0.0000000), wk = 0.0018248 k( 393) = ( -0.4459459 0.4459459 0.0000000), wk = 0.0018248 k( 394) = ( -0.4527027 0.4527027 0.0000000), wk = 0.0018248 k( 395) = ( -0.4594595 0.4594595 0.0000000), wk = 0.0018248 k( 396) = ( -0.4662162 0.4662162 0.0000000), wk = 0.0018248 k( 397) = ( -0.4729730 0.4729730 0.0000000), wk = 0.0018248 k( 398) = ( -0.4797297 0.4797297 0.0000000), wk = 0.0018248 k( 399) = ( -0.4864865 0.4864865 -0.0000000), wk = 0.0018248 k( 400) = ( -0.4932432 0.4932432 -0.0000000), wk = 0.0018248 k( 401) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 402) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 403) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 404) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 405) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0018248 k( 406) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0018248 k( 407) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0018248 k( 408) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0018248 k( 409) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0018248 k( 410) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0018248 k( 411) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0018248 k( 412) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0018248 k( 413) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0018248 k( 414) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0018248 k( 415) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0018248 k( 416) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0018248 k( 417) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0018248 k( 418) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0018248 k( 419) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0018248 k( 420) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0018248 k( 421) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0018248 k( 422) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0018248 k( 423) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0018248 k( 424) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0018248 k( 425) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0018248 k( 426) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0018248 k( 427) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0018248 k( 428) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0018248 k( 429) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0018248 k( 430) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0018248 k( 431) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0018248 k( 432) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0018248 k( 433) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0018248 k( 434) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0018248 k( 435) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0018248 k( 436) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0018248 k( 437) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 438) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 439) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 440) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 441) = ( -0.5000000 0.5000000 0.4848485), wk = 0.0018248 k( 442) = ( -0.5000000 0.5000000 0.4696970), wk = 0.0018248 k( 443) = ( -0.5000000 0.5000000 0.4545455), wk = 0.0018248 k( 444) = ( -0.5000000 0.5000000 0.4393939), wk = 0.0018248 k( 445) = ( -0.5000000 0.5000000 0.4242424), wk = 0.0018248 k( 446) = ( -0.5000000 0.5000000 0.4090909), wk = 0.0018248 k( 447) = ( -0.5000000 0.5000000 0.3939394), wk = 0.0018248 k( 448) = ( -0.5000000 0.5000000 0.3787879), wk = 0.0018248 k( 449) = ( -0.5000000 0.5000000 0.3636364), wk = 0.0018248 k( 450) = ( -0.5000000 0.5000000 0.3484849), wk = 0.0018248 k( 451) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0018248 k( 452) = ( -0.5000000 0.5000000 0.3181818), wk = 0.0018248 k( 453) = ( -0.5000000 0.5000000 0.3030303), wk = 0.0018248 k( 454) = ( -0.5000000 0.5000000 0.2878788), wk = 0.0018248 k( 455) = ( -0.5000000 0.5000000 0.2727273), wk = 0.0018248 k( 456) = ( -0.5000000 0.5000000 0.2575758), wk = 0.0018248 k( 457) = ( -0.5000000 0.5000000 0.2424242), wk = 0.0018248 k( 458) = ( -0.5000000 0.5000000 0.2272727), wk = 0.0018248 k( 459) = ( -0.5000000 0.5000000 0.2121212), wk = 0.0018248 k( 460) = ( -0.5000000 0.5000000 0.1969697), wk = 0.0018248 k( 461) = ( -0.5000000 0.5000000 0.1818182), wk = 0.0018248 k( 462) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0018248 k( 463) = ( -0.5000000 0.5000000 0.1515151), wk = 0.0018248 k( 464) = ( -0.5000000 0.5000000 0.1363636), wk = 0.0018248 k( 465) = ( -0.5000000 0.5000000 0.1212121), wk = 0.0018248 k( 466) = ( -0.5000000 0.5000000 0.1060606), wk = 0.0018248 k( 467) = ( -0.5000000 0.5000000 0.0909091), wk = 0.0018248 k( 468) = ( -0.5000000 0.5000000 0.0757576), wk = 0.0018248 k( 469) = ( -0.5000000 0.5000000 0.0606061), wk = 0.0018248 k( 470) = ( -0.5000000 0.5000000 0.0454546), wk = 0.0018248 k( 471) = ( -0.5000000 0.5000000 0.0303030), wk = 0.0018248 k( 472) = ( -0.5000000 0.5000000 0.0151515), wk = 0.0018248 k( 473) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0018248 k( 474) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 475) = ( -0.0067568 0.0067568 0.5000000), wk = 0.0018248 k( 476) = ( -0.0135135 0.0135135 0.5000000), wk = 0.0018248 k( 477) = ( -0.0202703 0.0202703 0.5000000), wk = 0.0018248 k( 478) = ( -0.0270270 0.0270270 0.5000000), wk = 0.0018248 k( 479) = ( -0.0337838 0.0337838 0.5000000), wk = 0.0018248 k( 480) = ( -0.0405405 0.0405405 0.5000000), wk = 0.0018248 k( 481) = ( -0.0472973 0.0472973 0.5000000), wk = 0.0018248 k( 482) = ( -0.0540540 0.0540540 0.5000000), wk = 0.0018248 k( 483) = ( -0.0608108 0.0608108 0.5000000), wk = 0.0018248 k( 484) = ( -0.0675676 0.0675676 0.5000000), wk = 0.0018248 k( 485) = ( -0.0743243 0.0743243 0.5000000), wk = 0.0018248 k( 486) = ( -0.0810811 0.0810811 0.5000000), wk = 0.0018248 k( 487) = ( -0.0878378 0.0878378 0.5000000), wk = 0.0018248 k( 488) = ( -0.0945946 0.0945946 0.5000000), wk = 0.0018248 k( 489) = ( -0.1013514 0.1013514 0.5000000), wk = 0.0018248 k( 490) = ( -0.1081081 0.1081081 0.5000000), wk = 0.0018248 k( 491) = ( -0.1148649 0.1148649 0.5000000), wk = 0.0018248 k( 492) = ( -0.1216216 0.1216216 0.5000000), wk = 0.0018248 k( 493) = ( -0.1283784 0.1283784 0.5000000), wk = 0.0018248 k( 494) = ( -0.1351351 0.1351351 0.5000000), wk = 0.0018248 k( 495) = ( -0.1418919 0.1418919 0.5000000), wk = 0.0018248 k( 496) = ( -0.1486486 0.1486486 0.5000000), wk = 0.0018248 k( 497) = ( -0.1554054 0.1554054 0.5000000), wk = 0.0018248 k( 498) = ( -0.1621622 0.1621622 0.5000000), wk = 0.0018248 k( 499) = ( -0.1689189 0.1689189 0.5000000), wk = 0.0018248 k( 500) = ( -0.1756757 0.1756757 0.5000000), wk = 0.0018248 k( 501) = ( -0.1824324 0.1824324 0.5000000), wk = 0.0018248 k( 502) = ( -0.1891892 0.1891892 0.5000000), wk = 0.0018248 k( 503) = ( -0.1959460 0.1959460 0.5000000), wk = 0.0018248 k( 504) = ( -0.2027027 0.2027027 0.5000000), wk = 0.0018248 k( 505) = ( -0.2094595 0.2094595 0.5000000), wk = 0.0018248 k( 506) = ( -0.2162162 0.2162162 0.5000000), wk = 0.0018248 k( 507) = ( -0.2229730 0.2229730 0.5000000), wk = 0.0018248 k( 508) = ( -0.2297297 0.2297297 0.5000000), wk = 0.0018248 k( 509) = ( -0.2364865 0.2364865 0.5000000), wk = 0.0018248 k( 510) = ( -0.2432432 0.2432432 0.5000000), wk = 0.0018248 k( 511) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0018248 k( 512) = ( -0.2567568 0.2567568 0.5000000), wk = 0.0018248 k( 513) = ( -0.2635135 0.2635135 0.5000000), wk = 0.0018248 k( 514) = ( -0.2702703 0.2702703 0.5000000), wk = 0.0018248 k( 515) = ( -0.2770270 0.2770270 0.5000000), wk = 0.0018248 k( 516) = ( -0.2837838 0.2837838 0.5000000), wk = 0.0018248 k( 517) = ( -0.2905405 0.2905405 0.5000000), wk = 0.0018248 k( 518) = ( -0.2972973 0.2972973 0.5000000), wk = 0.0018248 k( 519) = ( -0.3040541 0.3040541 0.5000000), wk = 0.0018248 k( 520) = ( -0.3108108 0.3108108 0.5000000), wk = 0.0018248 k( 521) = ( -0.3175676 0.3175676 0.5000000), wk = 0.0018248 k( 522) = ( -0.3243243 0.3243243 0.5000000), wk = 0.0018248 k( 523) = ( -0.3310811 0.3310811 0.5000000), wk = 0.0018248 k( 524) = ( -0.3378378 0.3378378 0.5000000), wk = 0.0018248 k( 525) = ( -0.3445946 0.3445946 0.5000000), wk = 0.0018248 k( 526) = ( -0.3513514 0.3513514 0.5000000), wk = 0.0018248 k( 527) = ( -0.3581081 0.3581081 0.5000000), wk = 0.0018248 k( 528) = ( -0.3648649 0.3648649 0.5000000), wk = 0.0018248 k( 529) = ( -0.3716216 0.3716216 0.5000000), wk = 0.0018248 k( 530) = ( -0.3783784 0.3783784 0.5000000), wk = 0.0018248 k( 531) = ( -0.3851351 0.3851351 0.5000000), wk = 0.0018248 k( 532) = ( -0.3918919 0.3918919 0.5000000), wk = 0.0018248 k( 533) = ( -0.3986486 0.3986486 0.5000000), wk = 0.0018248 k( 534) = ( -0.4054054 0.4054054 0.5000000), wk = 0.0018248 k( 535) = ( -0.4121622 0.4121622 0.5000000), wk = 0.0018248 k( 536) = ( -0.4189189 0.4189189 0.5000000), wk = 0.0018248 k( 537) = ( -0.4256757 0.4256757 0.5000000), wk = 0.0018248 k( 538) = ( -0.4324324 0.4324324 0.5000000), wk = 0.0018248 k( 539) = ( -0.4391892 0.4391892 0.5000000), wk = 0.0018248 k( 540) = ( -0.4459459 0.4459459 0.5000000), wk = 0.0018248 k( 541) = ( -0.4527027 0.4527027 0.5000000), wk = 0.0018248 k( 542) = ( -0.4594595 0.4594595 0.5000000), wk = 0.0018248 k( 543) = ( -0.4662162 0.4662162 0.5000000), wk = 0.0018248 k( 544) = ( -0.4729730 0.4729730 0.5000000), wk = 0.0018248 k( 545) = ( -0.4797297 0.4797297 0.5000000), wk = 0.0018248 k( 546) = ( -0.4864865 0.4864865 0.5000000), wk = 0.0018248 k( 547) = ( -0.4932432 0.4932432 0.5000000), wk = 0.0018248 k( 548) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0018248 Dense grid: 28689 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 210, 26) NL pseudopotentials 0.20 Mb ( 105, 124) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 797) G-vector shells 0.00 Mb ( 400) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 210, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.10 Mb ( 124, 2, 26) The potential is recalculated from file : ./Cs.save/charge-density.dat Starting wfc are 20 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.0 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.6 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.7 secs Computing kpt #: 21 total cpu time spent up to now is 6.9 secs Computing kpt #: 22 total cpu time spent up to now is 7.3 secs Computing kpt #: 23 total cpu time spent up to now is 7.6 secs Computing kpt #: 24 total cpu time spent up to now is 7.9 secs Computing kpt #: 25 total cpu time spent up to now is 8.1 secs Computing kpt #: 26 total cpu time spent up to now is 8.4 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 8.9 secs Computing kpt #: 29 total cpu time spent up to now is 9.2 secs Computing kpt #: 30 total cpu time spent up to now is 9.4 secs Computing kpt #: 31 total cpu time spent up to now is 9.6 secs Computing kpt #: 32 total cpu time spent up to now is 9.9 secs Computing kpt #: 33 total cpu time spent up to now is 10.1 secs Computing kpt #: 34 total cpu time spent up to now is 10.3 secs Computing kpt #: 35 total cpu time spent up to now is 10.6 secs Computing kpt #: 36 total cpu time spent up to now is 10.9 secs Computing kpt #: 37 total cpu time spent up to now is 11.1 secs Computing kpt #: 38 total cpu time spent up to now is 11.7 secs Computing kpt #: 39 total cpu time spent up to now is 12.0 secs Computing kpt #: 40 total cpu time spent up to now is 12.3 secs Computing kpt #: 41 total cpu time spent up to now is 12.5 secs Computing kpt #: 42 total cpu time spent up to now is 12.8 secs Computing kpt #: 43 total cpu time spent up to now is 13.0 secs Computing kpt #: 44 total cpu time spent up to now is 13.3 secs Computing kpt #: 45 total cpu time spent up to now is 13.5 secs Computing kpt #: 46 total cpu time spent up to now is 13.7 secs Computing kpt #: 47 total cpu time spent up to now is 13.9 secs Computing kpt #: 48 total cpu time spent up to now is 14.1 secs Computing kpt #: 49 total cpu time spent up to now is 14.3 secs Computing kpt #: 50 total cpu time spent up to now is 14.5 secs Computing kpt #: 51 total cpu time spent up to now is 14.8 secs Computing kpt #: 52 total cpu time spent up to now is 15.0 secs Computing kpt #: 53 total cpu time spent up to now is 15.2 secs Computing kpt #: 54 total cpu time spent up to now is 15.4 secs Computing kpt #: 55 total cpu time spent up to now is 15.6 secs Computing kpt #: 56 total cpu time spent up to now is 15.9 secs Computing kpt #: 57 total cpu time spent up to now is 16.1 secs Computing kpt #: 58 total cpu time spent up to now is 16.3 secs Computing kpt #: 59 total cpu time spent up to now is 16.5 secs Computing kpt #: 60 total cpu time spent up to now is 16.8 secs Computing kpt #: 61 total cpu time spent up to now is 17.0 secs Computing kpt #: 62 total cpu time spent up to now is 17.2 secs Computing kpt #: 63 total cpu time spent up to now is 17.4 secs Computing kpt #: 64 total cpu time spent up to now is 17.7 secs Computing kpt #: 65 total cpu time spent up to now is 17.9 secs Computing kpt #: 66 total cpu time spent up to now is 18.1 secs Computing kpt #: 67 total cpu time spent up to now is 18.3 secs Computing kpt #: 68 total cpu time spent up to now is 18.5 secs Computing kpt #: 69 total cpu time spent up to now is 18.7 secs Computing kpt #: 70 total cpu time spent up to now is 18.9 secs Computing kpt #: 71 total cpu time spent up to now is 19.2 secs Computing kpt #: 72 total cpu time spent up to now is 19.4 secs Computing kpt #: 73 total cpu time spent up to now is 19.6 secs Computing kpt #: 74 total cpu time spent up to now is 19.8 secs Computing kpt #: 75 total cpu time spent up to now is 20.0 secs Computing kpt #: 76 total cpu time spent up to now is 20.2 secs Computing kpt #: 77 total cpu time spent up to now is 20.4 secs Computing kpt #: 78 total cpu time spent up to now is 20.7 secs Computing kpt #: 79 total cpu time spent up to now is 20.9 secs Computing kpt #: 80 total cpu time spent up to now is 21.1 secs Computing kpt #: 81 total cpu time spent up to now is 21.3 secs Computing kpt #: 82 total cpu time spent up to now is 21.6 secs Computing kpt #: 83 total cpu time spent up to now is 21.8 secs Computing kpt #: 84 total cpu time spent up to now is 22.1 secs Computing kpt #: 85 total cpu time spent up to now is 22.3 secs Computing kpt #: 86 total cpu time spent up to now is 22.5 secs Computing kpt #: 87 total cpu time spent up to now is 22.8 secs Computing kpt #: 88 total cpu time spent up to now is 23.0 secs Computing kpt #: 89 total cpu time spent up to now is 23.2 secs Computing kpt #: 90 total cpu time spent up to now is 23.5 secs Computing kpt #: 91 total cpu time spent up to now is 23.7 secs Computing kpt #: 92 total cpu time spent up to now is 24.0 secs Computing kpt #: 93 total cpu time spent up to now is 24.2 secs Computing kpt #: 94 total cpu time spent up to now is 24.4 secs Computing kpt #: 95 total cpu time spent up to now is 24.7 secs Computing kpt #: 96 total cpu time spent up to now is 24.9 secs Computing kpt #: 97 total cpu time spent up to now is 25.2 secs Computing kpt #: 98 total cpu time spent up to now is 25.4 secs Computing kpt #: 99 total cpu time spent up to now is 25.6 secs Computing kpt #: 100 total cpu time spent up to now is 25.9 secs Computing kpt #: 101 total cpu time spent up to now is 26.1 secs Computing kpt #: 102 total cpu time spent up to now is 26.4 secs Computing kpt #: 103 total cpu time spent up to now is 26.7 secs Computing kpt #: 104 total cpu time spent up to now is 26.9 secs Computing kpt #: 105 total cpu time spent up to now is 27.2 secs Computing kpt #: 106 total cpu time spent up to now is 27.5 secs Computing kpt #: 107 total cpu time spent up to now is 27.8 secs Computing kpt #: 108 total cpu time spent up to now is 28.0 secs Computing kpt #: 109 total cpu time spent up to now is 28.3 secs Computing kpt #: 110 total cpu time spent up to now is 28.5 secs Computing kpt #: 111 total cpu time spent up to now is 28.8 secs Computing kpt #: 112 total cpu time spent up to now is 29.0 secs Computing kpt #: 113 total cpu time spent up to now is 29.3 secs Computing kpt #: 114 total cpu time spent up to now is 29.5 secs Computing kpt #: 115 total cpu time spent up to now is 29.8 secs Computing kpt #: 116 total cpu time spent up to now is 30.1 secs Computing kpt #: 117 total cpu time spent up to now is 30.4 secs Computing kpt #: 118 total cpu time spent up to now is 30.7 secs Computing kpt #: 119 total cpu time spent up to now is 31.0 secs Computing kpt #: 120 total cpu time spent up to now is 31.3 secs Computing kpt #: 121 total cpu time spent up to now is 31.6 secs Computing kpt #: 122 total cpu time spent up to now is 31.8 secs Computing kpt #: 123 total cpu time spent up to now is 32.1 secs Computing kpt #: 124 total cpu time spent up to now is 32.4 secs Computing kpt #: 125 total cpu time spent up to now is 32.7 secs Computing kpt #: 126 total cpu time spent up to now is 33.0 secs Computing kpt #: 127 total cpu time spent up to now is 33.2 secs Computing kpt #: 128 total cpu time spent up to now is 33.5 secs Computing kpt #: 129 total cpu time spent up to now is 33.8 secs Computing kpt #: 130 total cpu time spent up to now is 34.0 secs Computing kpt #: 131 total cpu time spent up to now is 34.3 secs Computing kpt #: 132 total cpu time spent up to now is 34.6 secs Computing kpt #: 133 total cpu time spent up to now is 34.9 secs Computing kpt #: 134 total cpu time spent up to now is 35.2 secs Computing kpt #: 135 total cpu time spent up to now is 35.5 secs Computing kpt #: 136 total cpu time spent up to now is 35.8 secs Computing kpt #: 137 total cpu time spent up to now is 36.1 secs Computing kpt #: 138 total cpu time spent up to now is 36.4 secs Computing kpt #: 139 total cpu time spent up to now is 36.7 secs Computing kpt #: 140 total cpu time spent up to now is 36.9 secs Computing kpt #: 141 total cpu time spent up to now is 37.2 secs Computing kpt #: 142 total cpu time spent up to now is 37.4 secs Computing kpt #: 143 total cpu time spent up to now is 37.7 secs Computing kpt #: 144 total cpu time spent up to now is 38.0 secs Computing kpt #: 145 total cpu time spent up to now is 38.2 secs Computing kpt #: 146 total cpu time spent up to now is 38.5 secs Computing kpt #: 147 total cpu time spent up to now is 38.8 secs Computing kpt #: 148 total cpu time spent up to now is 39.1 secs Computing kpt #: 149 total cpu time spent up to now is 39.3 secs Computing kpt #: 150 total cpu time spent up to now is 39.6 secs Computing kpt #: 151 total cpu time spent up to now is 39.9 secs Computing kpt #: 152 total cpu time spent up to now is 40.2 secs Computing kpt #: 153 total cpu time spent up to now is 40.5 secs Computing kpt #: 154 total cpu time spent up to now is 40.8 secs Computing kpt #: 155 total cpu time spent up to now is 41.0 secs Computing kpt #: 156 total cpu time spent up to now is 41.3 secs Computing kpt #: 157 total cpu time spent up to now is 41.8 secs Computing kpt #: 158 total cpu time spent up to now is 42.1 secs Computing kpt #: 159 total cpu time spent up to now is 42.4 secs Computing kpt #: 160 total cpu time spent up to now is 42.7 secs Computing kpt #: 161 total cpu time spent up to now is 43.1 secs Computing kpt #: 162 total cpu time spent up to now is 43.4 secs Computing kpt #: 163 total cpu time spent up to now is 43.7 secs Computing kpt #: 164 total cpu time spent up to now is 44.0 secs Computing kpt #: 165 total cpu time spent up to now is 44.3 secs Computing kpt #: 166 total cpu time spent up to now is 44.6 secs Computing kpt #: 167 total cpu time spent up to now is 45.0 secs Computing kpt #: 168 total cpu time spent up to now is 45.3 secs Computing kpt #: 169 total cpu time spent up to now is 45.6 secs Computing kpt #: 170 total cpu time spent up to now is 45.9 secs Computing kpt #: 171 total cpu time spent up to now is 46.2 secs Computing kpt #: 172 total cpu time spent up to now is 46.8 secs Computing kpt #: 173 total cpu time spent up to now is 47.1 secs Computing kpt #: 174 total cpu time spent up to now is 47.4 secs Computing kpt #: 175 total cpu time spent up to now is 47.7 secs Computing kpt #: 176 total cpu time spent up to now is 48.1 secs Computing kpt #: 177 total cpu time spent up to now is 48.3 secs Computing kpt #: 178 total cpu time spent up to now is 48.6 secs Computing kpt #: 179 total cpu time spent up to now is 48.9 secs Computing kpt #: 180 total cpu time spent up to now is 49.2 secs Computing kpt #: 181 total cpu time spent up to now is 49.5 secs Computing kpt #: 182 total cpu time spent up to now is 49.8 secs Computing kpt #: 183 total cpu time spent up to now is 50.1 secs Computing kpt #: 184 total cpu time spent up to now is 50.4 secs Computing kpt #: 185 total cpu time spent up to now is 50.7 secs Computing kpt #: 186 total cpu time spent up to now is 51.0 secs Computing kpt #: 187 total cpu time spent up to now is 51.3 secs Computing kpt #: 188 total cpu time spent up to now is 51.6 secs Computing kpt #: 189 total cpu time spent up to now is 51.9 secs Computing kpt #: 190 total cpu time spent up to now is 52.2 secs Computing kpt #: 191 total cpu time spent up to now is 52.5 secs Computing kpt #: 192 total cpu time spent up to now is 52.8 secs Computing kpt #: 193 total cpu time spent up to now is 53.2 secs Computing kpt #: 194 total cpu time spent up to now is 53.5 secs Computing kpt #: 195 total cpu time spent up to now is 53.8 secs Computing kpt #: 196 total cpu time spent up to now is 54.1 secs Computing kpt #: 197 total cpu time spent up to now is 54.4 secs Computing kpt #: 198 total cpu time spent up to now is 54.7 secs Computing kpt #: 199 total cpu time spent up to now is 54.9 secs Computing kpt #: 200 total cpu time spent up to now is 55.2 secs Computing kpt #: 201 total cpu time spent up to now is 55.5 secs Computing kpt #: 202 total cpu time spent up to now is 55.8 secs Computing kpt #: 203 total cpu time spent up to now is 56.1 secs Computing kpt #: 204 total cpu time spent up to now is 56.4 secs Computing kpt #: 205 total cpu time spent up to now is 56.7 secs Computing kpt #: 206 total cpu time spent up to now is 57.1 secs Computing kpt #: 207 total cpu time spent up to now is 57.4 secs Computing kpt #: 208 total cpu time spent up to now is 57.8 secs Computing kpt #: 209 total cpu time spent up to now is 58.1 secs Computing kpt #: 210 total cpu time spent up to now is 58.4 secs Computing kpt #: 211 total cpu time spent up to now is 58.7 secs Computing kpt #: 212 total cpu time spent up to now is 59.1 secs Computing kpt #: 213 total cpu time spent up to now is 59.4 secs Computing kpt #: 214 total cpu time spent up to now is 59.7 secs Computing kpt #: 215 total cpu time spent up to now is 60.0 secs Computing kpt #: 216 total cpu time spent up to now is 60.2 secs Computing kpt #: 217 total cpu time spent up to now is 60.5 secs Computing kpt #: 218 total cpu time spent up to now is 60.8 secs Computing kpt #: 219 total cpu time spent up to now is 61.0 secs Computing kpt #: 220 total cpu time spent up to now is 61.3 secs Computing kpt #: 221 total cpu time spent up to now is 61.5 secs Computing kpt #: 222 total cpu time spent up to now is 61.8 secs Computing kpt #: 223 total cpu time spent up to now is 62.1 secs Computing kpt #: 224 total cpu time spent up to now is 62.3 secs Computing kpt #: 225 total cpu time spent up to now is 62.6 secs Computing kpt #: 226 total cpu time spent up to now is 62.8 secs Computing kpt #: 227 total cpu time spent up to now is 63.1 secs Computing kpt #: 228 total cpu time spent up to now is 63.4 secs Computing kpt #: 229 total cpu time spent up to now is 63.6 secs Computing kpt #: 230 total cpu time spent up to now is 63.9 secs Computing kpt #: 231 total cpu time spent up to now is 64.1 secs Computing kpt #: 232 total cpu time spent up to now is 64.4 secs Computing kpt #: 233 total cpu time spent up to now is 64.7 secs Computing kpt #: 234 total cpu time spent up to now is 64.9 secs Computing kpt #: 235 total cpu time spent up to now is 65.2 secs Computing kpt #: 236 total cpu time spent up to now is 65.4 secs Computing kpt #: 237 total cpu time spent up to now is 65.7 secs Computing kpt #: 238 total cpu time spent up to now is 66.0 secs Computing kpt #: 239 total cpu time spent up to now is 66.2 secs Computing kpt #: 240 total cpu time spent up to now is 66.5 secs Computing kpt #: 241 total cpu time spent up to now is 66.7 secs Computing kpt #: 242 total cpu time spent up to now is 67.0 secs Computing kpt #: 243 total cpu time spent up to now is 67.2 secs Computing kpt #: 244 total cpu time spent up to now is 67.5 secs Computing kpt #: 245 total cpu time spent up to now is 67.7 secs Computing kpt #: 246 total cpu time spent up to now is 68.0 secs Computing kpt #: 247 total cpu time spent up to now is 68.3 secs Computing kpt #: 248 total cpu time spent up to now is 68.6 secs Computing kpt #: 249 total cpu time spent up to now is 68.8 secs Computing kpt #: 250 total cpu time spent up to now is 69.1 secs Computing kpt #: 251 total cpu time spent up to now is 69.4 secs Computing kpt #: 252 total cpu time spent up to now is 69.7 secs Computing kpt #: 253 total cpu time spent up to now is 69.9 secs Computing kpt #: 254 total cpu time spent up to now is 70.2 secs Computing kpt #: 255 total cpu time spent up to now is 70.5 secs Computing kpt #: 256 total cpu time spent up to now is 70.7 secs Computing kpt #: 257 total cpu time spent up to now is 71.0 secs Computing kpt #: 258 total cpu time spent up to now is 71.2 secs Computing kpt #: 259 total cpu time spent up to now is 71.5 secs Computing kpt #: 260 total cpu time spent up to now is 71.7 secs Computing kpt #: 261 total cpu time spent up to now is 72.0 secs Computing kpt #: 262 total cpu time spent up to now is 72.2 secs Computing kpt #: 263 total cpu time spent up to now is 72.5 secs Computing kpt #: 264 total cpu time spent up to now is 72.7 secs Computing kpt #: 265 total cpu time spent up to now is 73.0 secs Computing kpt #: 266 total cpu time spent up to now is 73.2 secs Computing kpt #: 267 total cpu time spent up to now is 73.5 secs Computing kpt #: 268 total cpu time spent up to now is 73.7 secs Computing kpt #: 269 total cpu time spent up to now is 74.0 secs Computing kpt #: 270 total cpu time spent up to now is 74.2 secs Computing kpt #: 271 total cpu time spent up to now is 74.4 secs Computing kpt #: 272 total cpu time spent up to now is 74.6 secs Computing kpt #: 273 total cpu time spent up to now is 74.9 secs Computing kpt #: 274 total cpu time spent up to now is 75.1 secs Computing kpt #: 275 total cpu time spent up to now is 75.3 secs Computing kpt #: 276 total cpu time spent up to now is 75.5 secs Computing kpt #: 277 total cpu time spent up to now is 75.7 secs Computing kpt #: 278 total cpu time spent up to now is 75.9 secs Computing kpt #: 279 total cpu time spent up to now is 76.1 secs Computing kpt #: 280 total cpu time spent up to now is 76.4 secs Computing kpt #: 281 total cpu time spent up to now is 76.9 secs Computing kpt #: 282 total cpu time spent up to now is 77.1 secs Computing kpt #: 283 total cpu time spent up to now is 77.3 secs Computing kpt #: 284 total cpu time spent up to now is 77.5 secs Computing kpt #: 285 total cpu time spent up to now is 77.7 secs Computing kpt #: 286 total cpu time spent up to now is 78.0 secs Computing kpt #: 287 total cpu time spent up to now is 78.2 secs Computing kpt #: 288 total cpu time spent up to now is 78.4 secs Computing kpt #: 289 total cpu time spent up to now is 78.6 secs Computing kpt #: 290 total cpu time spent up to now is 78.9 secs Computing kpt #: 291 total cpu time spent up to now is 79.1 secs Computing kpt #: 292 total cpu time spent up to now is 79.4 secs Computing kpt #: 293 total cpu time spent up to now is 79.6 secs Computing kpt #: 294 total cpu time spent up to now is 79.9 secs Computing kpt #: 295 total cpu time spent up to now is 80.2 secs Computing kpt #: 296 total cpu time spent up to now is 80.5 secs Computing kpt #: 297 total cpu time spent up to now is 80.8 secs Computing kpt #: 298 total cpu time spent up to now is 81.0 secs Computing kpt #: 299 total cpu time spent up to now is 81.3 secs Computing kpt #: 300 total cpu time spent up to now is 81.8 secs Computing kpt #: 301 total cpu time spent up to now is 82.1 secs Computing kpt #: 302 total cpu time spent up to now is 82.3 secs Computing kpt #: 303 total cpu time spent up to now is 82.6 secs Computing kpt #: 304 total cpu time spent up to now is 82.9 secs Computing kpt #: 305 total cpu time spent up to now is 83.2 secs Computing kpt #: 306 total cpu time spent up to now is 83.5 secs Computing kpt #: 307 total cpu time spent up to now is 83.7 secs Computing kpt #: 308 total cpu time spent up to now is 84.0 secs Computing kpt #: 309 total cpu time spent up to now is 84.3 secs Computing kpt #: 310 total cpu time spent up to now is 84.5 secs Computing kpt #: 311 total cpu time spent up to now is 84.8 secs Computing kpt #: 312 total cpu time spent up to now is 85.1 secs Computing kpt #: 313 total cpu time spent up to now is 85.4 secs Computing kpt #: 314 total cpu time spent up to now is 85.7 secs Computing kpt #: 315 total cpu time spent up to now is 86.0 secs Computing kpt #: 316 total cpu time spent up to now is 86.3 secs Computing kpt #: 317 total cpu time spent up to now is 86.6 secs Computing kpt #: 318 total cpu time spent up to now is 86.8 secs Computing kpt #: 319 total cpu time spent up to now is 87.1 secs Computing kpt #: 320 total cpu time spent up to now is 87.4 secs Computing kpt #: 321 total cpu time spent up to now is 87.7 secs Computing kpt #: 322 total cpu time spent up to now is 87.9 secs Computing kpt #: 323 total cpu time spent up to now is 88.2 secs Computing kpt #: 324 total cpu time spent up to now is 88.5 secs Computing kpt #: 325 total cpu time spent up to now is 88.8 secs Computing kpt #: 326 total cpu time spent up to now is 89.0 secs Computing kpt #: 327 total cpu time spent up to now is 89.3 secs Computing kpt #: 328 total cpu time spent up to now is 89.6 secs Computing kpt #: 329 total cpu time spent up to now is 89.8 secs Computing kpt #: 330 total cpu time spent up to now is 90.1 secs Computing kpt #: 331 total cpu time spent up to now is 90.3 secs Computing kpt #: 332 total cpu time spent up to now is 90.6 secs Computing kpt #: 333 total cpu time spent up to now is 90.9 secs Computing kpt #: 334 total cpu time spent up to now is 91.1 secs Computing kpt #: 335 total cpu time spent up to now is 91.4 secs Computing kpt #: 336 total cpu time spent up to now is 91.6 secs Computing kpt #: 337 total cpu time spent up to now is 91.9 secs Computing kpt #: 338 total cpu time spent up to now is 92.1 secs Computing kpt #: 339 total cpu time spent up to now is 92.3 secs Computing kpt #: 340 total cpu time spent up to now is 92.6 secs Computing kpt #: 341 total cpu time spent up to now is 92.8 secs Computing kpt #: 342 total cpu time spent up to now is 93.1 secs Computing kpt #: 343 total cpu time spent up to now is 93.4 secs Computing kpt #: 344 total cpu time spent up to now is 93.7 secs Computing kpt #: 345 total cpu time spent up to now is 94.0 secs Computing kpt #: 346 total cpu time spent up to now is 94.3 secs Computing kpt #: 347 total cpu time spent up to now is 94.6 secs Computing kpt #: 348 total cpu time spent up to now is 94.8 secs Computing kpt #: 349 total cpu time spent up to now is 95.1 secs Computing kpt #: 350 total cpu time spent up to now is 95.4 secs Computing kpt #: 351 total cpu time spent up to now is 95.7 secs Computing kpt #: 352 total cpu time spent up to now is 96.0 secs Computing kpt #: 353 total cpu time spent up to now is 96.2 secs Computing kpt #: 354 total cpu time spent up to now is 96.5 secs Computing kpt #: 355 total cpu time spent up to now is 96.7 secs Computing kpt #: 356 total cpu time spent up to now is 97.0 secs Computing kpt #: 357 total cpu time spent up to now is 97.2 secs Computing kpt #: 358 total cpu time spent up to now is 97.5 secs Computing kpt #: 359 total cpu time spent up to now is 97.7 secs Computing kpt #: 360 total cpu time spent up to now is 97.9 secs Computing kpt #: 361 total cpu time spent up to now is 98.2 secs Computing kpt #: 362 total cpu time spent up to now is 98.4 secs Computing kpt #: 363 total cpu time spent up to now is 98.7 secs Computing kpt #: 364 total cpu time spent up to now is 99.0 secs Computing kpt #: 365 total cpu time spent up to now is 99.3 secs Computing kpt #: 366 total cpu time spent up to now is 99.6 secs Computing kpt #: 367 total cpu time spent up to now is 99.9 secs Computing kpt #: 368 total cpu time spent up to now is 100.1 secs Computing kpt #: 369 total cpu time spent up to now is 100.3 secs Computing kpt #: 370 total cpu time spent up to now is 100.6 secs Computing kpt #: 371 total cpu time spent up to now is 100.8 secs Computing kpt #: 372 total cpu time spent up to now is 101.0 secs Computing kpt #: 373 total cpu time spent up to now is 101.2 secs Computing kpt #: 374 total cpu time spent up to now is 101.4 secs Computing kpt #: 375 total cpu time spent up to now is 101.6 secs Computing kpt #: 376 total cpu time spent up to now is 101.8 secs Computing kpt #: 377 total cpu time spent up to now is 102.1 secs Computing kpt #: 378 total cpu time spent up to now is 102.3 secs Computing kpt #: 379 total cpu time spent up to now is 102.5 secs Computing kpt #: 380 total cpu time spent up to now is 102.7 secs Computing kpt #: 381 total cpu time spent up to now is 102.9 secs Computing kpt #: 382 total cpu time spent up to now is 103.2 secs Computing kpt #: 383 total cpu time spent up to now is 103.4 secs Computing kpt #: 384 total cpu time spent up to now is 103.6 secs Computing kpt #: 385 total cpu time spent up to now is 103.8 secs Computing kpt #: 386 total cpu time spent up to now is 104.0 secs Computing kpt #: 387 total cpu time spent up to now is 104.3 secs Computing kpt #: 388 total cpu time spent up to now is 104.5 secs Computing kpt #: 389 total cpu time spent up to now is 104.7 secs Computing kpt #: 390 total cpu time spent up to now is 105.0 secs Computing kpt #: 391 total cpu time spent up to now is 105.2 secs Computing kpt #: 392 total cpu time spent up to now is 105.4 secs Computing kpt #: 393 total cpu time spent up to now is 105.6 secs Computing kpt #: 394 total cpu time spent up to now is 105.8 secs Computing kpt #: 395 total cpu time spent up to now is 106.1 secs Computing kpt #: 396 total cpu time spent up to now is 106.3 secs Computing kpt #: 397 total cpu time spent up to now is 106.5 secs Computing kpt #: 398 total cpu time spent up to now is 106.7 secs Computing kpt #: 399 total cpu time spent up to now is 106.9 secs Computing kpt #: 400 total cpu time spent up to now is 107.2 secs Computing kpt #: 401 total cpu time spent up to now is 107.4 secs Computing kpt #: 402 total cpu time spent up to now is 107.6 secs Computing kpt #: 403 total cpu time spent up to now is 107.8 secs Computing kpt #: 404 total cpu time spent up to now is 108.0 secs Computing kpt #: 405 total cpu time spent up to now is 108.2 secs Computing kpt #: 406 total cpu time spent up to now is 108.4 secs Computing kpt #: 407 total cpu time spent up to now is 108.7 secs Computing kpt #: 408 total cpu time spent up to now is 108.9 secs Computing kpt #: 409 total cpu time spent up to now is 109.1 secs Computing kpt #: 410 total cpu time spent up to now is 109.3 secs Computing kpt #: 411 total cpu time spent up to now is 109.5 secs Computing kpt #: 412 total cpu time spent up to now is 109.7 secs Computing kpt #: 413 total cpu time spent up to now is 109.9 secs Computing kpt #: 414 total cpu time spent up to now is 110.1 secs Computing kpt #: 415 total cpu time spent up to now is 110.3 secs Computing kpt #: 416 total cpu time spent up to now is 110.5 secs Computing kpt #: 417 total cpu time spent up to now is 110.7 secs Computing kpt #: 418 total cpu time spent up to now is 110.9 secs Computing kpt #: 419 total cpu time spent up to now is 111.1 secs Computing kpt #: 420 total cpu time spent up to now is 111.3 secs Computing kpt #: 421 total cpu time spent up to now is 111.8 secs Computing kpt #: 422 total cpu time spent up to now is 112.0 secs Computing kpt #: 423 total cpu time spent up to now is 112.2 secs Computing kpt #: 424 total cpu time spent up to now is 112.5 secs Computing kpt #: 425 total cpu time spent up to now is 112.7 secs Computing kpt #: 426 total cpu time spent up to now is 112.9 secs Computing kpt #: 427 total cpu time spent up to now is 113.1 secs Computing kpt #: 428 total cpu time spent up to now is 113.3 secs Computing kpt #: 429 total cpu time spent up to now is 113.5 secs Computing kpt #: 430 total cpu time spent up to now is 113.7 secs Computing kpt #: 431 total cpu time spent up to now is 114.0 secs Computing kpt #: 432 total cpu time spent up to now is 114.2 secs Computing kpt #: 433 total cpu time spent up to now is 114.5 secs Computing kpt #: 434 total cpu time spent up to now is 114.8 secs Computing kpt #: 435 total cpu time spent up to now is 115.1 secs Computing kpt #: 436 total cpu time spent up to now is 115.3 secs Computing kpt #: 437 total cpu time spent up to now is 115.6 secs Computing kpt #: 438 total cpu time spent up to now is 115.9 secs Computing kpt #: 439 total cpu time spent up to now is 116.1 secs Computing kpt #: 440 total cpu time spent up to now is 116.4 secs Computing kpt #: 441 total cpu time spent up to now is 116.9 secs Computing kpt #: 442 total cpu time spent up to now is 117.1 secs Computing kpt #: 443 total cpu time spent up to now is 117.5 secs Computing kpt #: 444 total cpu time spent up to now is 117.7 secs Computing kpt #: 445 total cpu time spent up to now is 118.0 secs Computing kpt #: 446 total cpu time spent up to now is 118.2 secs Computing kpt #: 447 total cpu time spent up to now is 118.4 secs Computing kpt #: 448 total cpu time spent up to now is 118.7 secs Computing kpt #: 449 total cpu time spent up to now is 118.9 secs Computing kpt #: 450 total cpu time spent up to now is 119.1 secs Computing kpt #: 451 total cpu time spent up to now is 119.3 secs Computing kpt #: 452 total cpu time spent up to now is 119.5 secs Computing kpt #: 453 total cpu time spent up to now is 119.7 secs Computing kpt #: 454 total cpu time spent up to now is 119.9 secs Computing kpt #: 455 total cpu time spent up to now is 120.1 secs Computing kpt #: 456 total cpu time spent up to now is 120.3 secs Computing kpt #: 457 total cpu time spent up to now is 120.5 secs Computing kpt #: 458 total cpu time spent up to now is 120.7 secs Computing kpt #: 459 total cpu time spent up to now is 120.9 secs Computing kpt #: 460 total cpu time spent up to now is 121.1 secs Computing kpt #: 461 total cpu time spent up to now is 121.3 secs Computing kpt #: 462 total cpu time spent up to now is 121.5 secs Computing kpt #: 463 total cpu time spent up to now is 121.7 secs Computing kpt #: 464 total cpu time spent up to now is 121.9 secs Computing kpt #: 465 total cpu time spent up to now is 122.1 secs Computing kpt #: 466 total cpu time spent up to now is 122.3 secs Computing kpt #: 467 total cpu time spent up to now is 122.5 secs Computing kpt #: 468 total cpu time spent up to now is 122.7 secs Computing kpt #: 469 total cpu time spent up to now is 122.9 secs Computing kpt #: 470 total cpu time spent up to now is 123.2 secs Computing kpt #: 471 total cpu time spent up to now is 123.4 secs Computing kpt #: 472 total cpu time spent up to now is 123.6 secs Computing kpt #: 473 total cpu time spent up to now is 123.8 secs Computing kpt #: 474 total cpu time spent up to now is 124.0 secs Computing kpt #: 475 total cpu time spent up to now is 124.4 secs Computing kpt #: 476 total cpu time spent up to now is 124.7 secs Computing kpt #: 477 total cpu time spent up to now is 125.1 secs Computing kpt #: 478 total cpu time spent up to now is 125.4 secs Computing kpt #: 479 total cpu time spent up to now is 125.8 secs Computing kpt #: 480 total cpu time spent up to now is 126.1 secs Computing kpt #: 481 total cpu time spent up to now is 126.5 secs Computing kpt #: 482 total cpu time spent up to now is 126.8 secs Computing kpt #: 483 total cpu time spent up to now is 127.2 secs Computing kpt #: 484 total cpu time spent up to now is 127.5 secs Computing kpt #: 485 total cpu time spent up to now is 127.8 secs Computing kpt #: 486 total cpu time spent up to now is 128.2 secs Computing kpt #: 487 total cpu time spent up to now is 128.5 secs Computing kpt #: 488 total cpu time spent up to now is 128.9 secs Computing kpt #: 489 total cpu time spent up to now is 129.2 secs Computing kpt #: 490 total cpu time spent up to now is 129.5 secs Computing kpt #: 491 total cpu time spent up to now is 129.9 secs Computing kpt #: 492 total cpu time spent up to now is 130.2 secs Computing kpt #: 493 total cpu time spent up to now is 130.5 secs Computing kpt #: 494 total cpu time spent up to now is 130.8 secs Computing kpt #: 495 total cpu time spent up to now is 131.1 secs Computing kpt #: 496 total cpu time spent up to now is 131.4 secs Computing kpt #: 497 total cpu time spent up to now is 131.7 secs Computing kpt #: 498 total cpu time spent up to now is 132.0 secs Computing kpt #: 499 total cpu time spent up to now is 132.3 secs Computing kpt #: 500 total cpu time spent up to now is 132.6 secs Computing kpt #: 501 total cpu time spent up to now is 133.0 secs Computing kpt #: 502 total cpu time spent up to now is 133.3 secs Computing kpt #: 503 total cpu time spent up to now is 133.6 secs Computing kpt #: 504 total cpu time spent up to now is 133.9 secs Computing kpt #: 505 total cpu time spent up to now is 134.2 secs Computing kpt #: 506 total cpu time spent up to now is 134.5 secs Computing kpt #: 507 total cpu time spent up to now is 134.8 secs Computing kpt #: 508 total cpu time spent up to now is 135.2 secs Computing kpt #: 509 total cpu time spent up to now is 135.5 secs Computing kpt #: 510 total cpu time spent up to now is 135.8 secs Computing kpt #: 511 total cpu time spent up to now is 136.2 secs Computing kpt #: 512 total cpu time spent up to now is 136.5 secs Computing kpt #: 513 total cpu time spent up to now is 136.8 secs Computing kpt #: 514 total cpu time spent up to now is 137.0 secs Computing kpt #: 515 total cpu time spent up to now is 137.2 secs Computing kpt #: 516 total cpu time spent up to now is 137.5 secs Computing kpt #: 517 total cpu time spent up to now is 137.7 secs Computing kpt #: 518 total cpu time spent up to now is 138.0 secs Computing kpt #: 519 total cpu time spent up to now is 138.4 secs Computing kpt #: 520 total cpu time spent up to now is 138.7 secs Computing kpt #: 521 total cpu time spent up to now is 139.0 secs Computing kpt #: 522 total cpu time spent up to now is 139.3 secs Computing kpt #: 523 total cpu time spent up to now is 139.7 secs Computing kpt #: 524 total cpu time spent up to now is 140.0 secs Computing kpt #: 525 total cpu time spent up to now is 140.3 secs Computing kpt #: 526 total cpu time spent up to now is 140.7 secs Computing kpt #: 527 total cpu time spent up to now is 141.0 secs Computing kpt #: 528 total cpu time spent up to now is 141.3 secs Computing kpt #: 529 total cpu time spent up to now is 141.6 secs Computing kpt #: 530 total cpu time spent up to now is 142.0 secs Computing kpt #: 531 total cpu time spent up to now is 142.3 secs Computing kpt #: 532 total cpu time spent up to now is 142.6 secs Computing kpt #: 533 total cpu time spent up to now is 142.8 secs Computing kpt #: 534 total cpu time spent up to now is 143.1 secs Computing kpt #: 535 total cpu time spent up to now is 143.3 secs Computing kpt #: 536 total cpu time spent up to now is 143.6 secs Computing kpt #: 537 total cpu time spent up to now is 143.9 secs Computing kpt #: 538 total cpu time spent up to now is 144.2 secs Computing kpt #: 539 total cpu time spent up to now is 144.6 secs Computing kpt #: 540 total cpu time spent up to now is 144.9 secs Computing kpt #: 541 total cpu time spent up to now is 145.2 secs Computing kpt #: 542 total cpu time spent up to now is 145.6 secs Computing kpt #: 543 total cpu time spent up to now is 145.9 secs Computing kpt #: 544 total cpu time spent up to now is 146.2 secs Computing kpt #: 545 total cpu time spent up to now is 146.9 secs Computing kpt #: 546 total cpu time spent up to now is 147.1 secs Computing kpt #: 547 total cpu time spent up to now is 147.4 secs Computing kpt #: 548 total cpu time spent up to now is 147.7 secs ethr = 5.56E-08, avg # of iterations = 28.9 total cpu time spent up to now is 147.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -6.7588 -6.7588 -3.4377 -3.4377 3.4369 3.4369 9.7977 9.7977 10.6583 10.6583 10.9119 10.9119 12.2132 12.2132 13.1731 13.1731 18.6567 18.6567 19.0234 19.0234 20.6050 20.6050 21.6933 21.6933 22.8267 22.8267 k = 0.0068 0.0068-0.0000 ( 3611 PWs) bands (ev): -6.7576 -6.7576 -3.4370 -3.4370 3.4381 3.4381 9.7909 9.7909 10.6566 10.6566 10.9057 10.9057 12.2143 12.2143 13.1712 13.1712 18.6600 18.6600 19.0268 19.0268 20.6136 20.6136 21.7004 21.7004 22.8255 22.8255 k = 0.0135 0.0135-0.0000 ( 3607 PWs) bands (ev): -6.7543 -6.7543 -3.4350 -3.4350 3.4417 3.4417 9.7707 9.7707 10.6509 10.6509 10.8879 10.8879 12.2174 12.2174 13.1656 13.1656 18.6701 18.6701 19.0372 19.0372 20.6390 20.6390 21.7214 21.7214 22.8221 22.8221 k = 0.0203 0.0203-0.0000 ( 3603 PWs) bands (ev): -6.7486 -6.7486 -3.4315 -3.4315 3.4476 3.4476 9.7378 9.7378 10.6386 10.6386 10.8613 10.8613 12.2215 12.2215 13.1563 13.1563 18.6873 18.6873 19.0547 19.0547 20.6809 20.6809 21.7561 21.7561 22.8165 22.8165 k = 0.0270 0.0270-0.0000 ( 3603 PWs) bands (ev): -6.7407 -6.7407 -3.4267 -3.4267 3.4558 3.4558 9.6934 9.6934 10.6159 10.6159 10.8305 10.8305 12.2253 12.2253 13.1431 13.1431 18.7120 18.7120 19.0797 19.0797 20.7386 20.7386 21.8039 21.8039 22.8080 22.8080 k = 0.0338 0.0338-0.0000 ( 3591 PWs) bands (ev): -6.7306 -6.7306 -3.4205 -3.4205 3.4665 3.4665 9.6386 9.6386 10.5783 10.5783 10.8005 10.8005 12.2272 12.2272 13.1262 13.1262 18.7448 18.7448 19.1128 19.1128 20.8112 20.8112 21.8642 21.8642 22.7778 22.7778 k = 0.0405 0.0405-0.0000 ( 3587 PWs) bands (ev): -6.7182 -6.7182 -3.4130 -3.4130 3.4794 3.4794 9.5748 9.5748 10.5236 10.5236 10.7743 10.7743 12.2257 12.2257 13.1055 13.1055 18.7862 18.7862 19.1543 19.1543 20.8976 20.8976 21.9360 21.9360 22.6281 22.6281 k = 0.0473 0.0473-0.0000 ( 3589 PWs) bands (ev): -6.7036 -6.7036 -3.4041 -3.4041 3.4947 3.4947 9.5032 9.5032 10.4535 10.4535 10.7512 10.7512 12.2195 12.2195 13.0810 13.0810 18.8369 18.8369 19.2047 19.2047 20.9968 20.9968 22.0184 22.0184 22.4618 22.4618 k = 0.0541 0.0541-0.0000 ( 3585 PWs) bands (ev): -6.6867 -6.6867 -3.3939 -3.3939 3.5123 3.5123 9.4248 9.4248 10.3713 10.3713 10.7286 10.7286 12.2076 12.2076 13.0528 13.0528 18.8972 18.8972 19.2645 19.2645 21.1078 21.1078 22.1099 22.1099 22.2966 22.2966 k = 0.0608 0.0608-0.0000 ( 3585 PWs) bands (ev): -6.6677 -6.6677 -3.3824 -3.3824 3.5322 3.5322 9.3407 9.3407 10.2801 10.2801 10.7043 10.7043 12.1892 12.1892 13.0209 13.0209 18.9678 18.9678 19.3339 19.3339 21.2294 21.2294 22.1312 22.1312 22.2113 22.2113 k = 0.0676 0.0676-0.0000 ( 3589 PWs) bands (ev): -6.6464 -6.6464 -3.3697 -3.3697 3.5544 3.5544 9.2516 9.2516 10.1821 10.1821 10.6767 10.6767 12.1636 12.1636 12.9853 12.9853 19.0487 19.0487 19.4131 19.4131 21.3606 21.3606 21.9703 21.9703 22.3166 22.3166 k = 0.0743 0.0743-0.0000 ( 3593 PWs) bands (ev): -6.6229 -6.6229 -3.3556 -3.3556 3.5789 3.5789 9.1584 9.1584 10.0792 10.0792 10.6451 10.6451 12.1307 12.1307 12.9463 12.9463 19.1402 19.1402 19.5021 19.5021 21.5003 21.5003 21.8110 21.8110 22.4266 22.4266 k = 0.0811 0.0811-0.0000 ( 3593 PWs) bands (ev): -6.5973 -6.5973 -3.3403 -3.3403 3.6057 3.6057 9.0616 9.0616 9.9726 9.9726 10.6087 10.6087 12.0904 12.0904 12.9038 12.9038 19.2423 19.2423 19.6010 19.6010 21.6368 21.6368 21.6645 21.6645 22.5361 22.5361 k = 0.0878 0.0878-0.0000 ( 3589 PWs) bands (ev): -6.5695 -6.5695 -3.3238 -3.3238 3.6347 3.6347 8.9619 8.9619 9.8633 9.8633 10.5675 10.5675 12.0426 12.0426 12.8580 12.8580 19.3549 19.3549 19.7096 19.7096 21.4969 21.4969 21.8031 21.8031 22.6338 22.6338 k = 0.0946 0.0946-0.0000 ( 3585 PWs) bands (ev): -6.5395 -6.5395 -3.3060 -3.3060 3.6659 3.6659 8.8597 8.8597 9.7523 9.7523 10.5212 10.5212 11.9878 11.9878 12.8093 12.8093 19.4776 19.4776 19.8277 19.8277 21.3443 21.3443 21.9617 21.9617 22.6982 22.6982 k = 0.1014 0.1014-0.0000 ( 3577 PWs) bands (ev): -6.5074 -6.5074 -3.2871 -3.2871 3.6993 3.6993 8.7555 8.7555 9.6402 9.6402 10.4700 10.4700 11.9263 11.9263 12.7576 12.7576 19.6102 19.6102 19.9548 19.9548 21.1936 21.1936 22.1234 22.1234 22.7332 22.7332 k = 0.1081 0.1081-0.0000 ( 3577 PWs) bands (ev): -6.4731 -6.4731 -3.2671 -3.2671 3.7349 3.7349 8.6497 8.6497 9.5275 9.5275 10.4139 10.4139 11.8585 11.8585 12.7033 12.7033 19.7524 19.7524 20.0906 20.0906 21.0452 21.0452 22.2838 22.2838 22.7635 22.7635 k = 0.1149 0.1149-0.0000 ( 3573 PWs) bands (ev): -6.4368 -6.4368 -3.2460 -3.2460 3.7726 3.7726 8.5425 8.5425 9.4149 9.4149 10.3532 10.3532 11.7848 11.7848 12.6465 12.6465 19.9035 19.9035 20.2344 20.2344 20.8992 20.8992 22.4344 22.4344 22.8064 22.8064 k = 0.1216 0.1216-0.0000 ( 3575 PWs) bands (ev): -6.3984 -6.3984 -3.2238 -3.2238 3.8124 3.8124 8.4344 8.4344 9.3026 9.3026 10.2879 10.2879 11.7059 11.7059 12.5876 12.5876 20.0631 20.0631 20.3853 20.3853 20.7563 20.7563 22.5582 22.5582 22.8807 22.8807 k = 0.1284 0.1284-0.0000 ( 3579 PWs) bands (ev): -6.3579 -6.3579 -3.2006 -3.2006 3.8543 3.8543 8.3257 8.3257 9.1912 9.1912 10.2184 10.2184 11.6222 11.6222 12.5266 12.5266 20.2305 20.2305 20.5366 20.5366 20.6220 20.6220 22.6407 22.6407 23.0004 23.0004 k = 0.1351 0.1351-0.0000 ( 3587 PWs) bands (ev): -6.3155 -6.3155 -3.1764 -3.1764 3.8982 3.8982 8.2164 8.2164 9.0810 9.0810 10.1449 10.1449 11.5343 11.5343 12.4640 12.4640 20.4019 20.4019 20.4747 20.4747 20.7127 20.7127 22.6923 22.6923 23.1528 23.1528 k = 0.1419 0.1419-0.0000 ( 3587 PWs) bands (ev): -6.2710 -6.2710 -3.1513 -3.1513 3.9440 3.9440 8.1070 8.1070 8.9722 8.9722 10.0677 10.0677 11.4427 11.4427 12.3997 12.3997 20.3333 20.3333 20.5902 20.5902 20.8801 20.8801 22.7301 22.7301 23.3121 23.3121 k = 0.1486 0.1486-0.0000 ( 3583 PWs) bands (ev): -6.2245 -6.2245 -3.1252 -3.1252 3.9918 3.9918 7.9976 7.9976 8.8652 8.8652 9.9870 9.9870 11.3480 11.3480 12.3342 12.3342 20.2000 20.2000 20.7780 20.7780 21.0519 21.0519 22.7632 22.7632 23.4314 23.4314 k = 0.1554 0.1554-0.0000 ( 3577 PWs) bands (ev): -6.1762 -6.1762 -3.0983 -3.0983 4.0415 4.0415 7.8883 7.8883 8.7601 8.7601 9.9030 9.9030 11.2505 11.2505 12.2676 12.2676 20.0682 20.0682 20.9716 20.9716 21.2254 21.2254 22.7953 22.7953 23.4052 23.4052 k = 0.1622 0.1622-0.0000 ( 3581 PWs) bands (ev): -6.1259 -6.1259 -3.0707 -3.0707 4.0930 4.0930 7.7795 7.7795 8.6573 8.6573 9.8161 9.8161 11.1508 11.1508 12.2001 12.2001 19.9386 19.9386 21.1691 21.1691 21.3975 21.3975 22.8282 22.8282 23.2598 23.2598 k = 0.1689 0.1689-0.0000 ( 3587 PWs) bands (ev): -6.0737 -6.0737 -3.0422 -3.0422 4.1463 4.1463 7.6712 7.6712 8.5569 8.5569 9.7264 9.7264 11.0494 11.0494 12.1320 12.1320 19.8112 19.8112 21.3676 21.3676 21.5651 21.5651 22.8623 22.8623 23.0772 23.0772 k = 0.1757 0.1757-0.0000 ( 3583 PWs) bands (ev): -6.0197 -6.0197 -3.0131 -3.0131 4.2012 4.2012 7.5636 7.5636 8.4590 8.4590 9.6341 9.6341 10.9466 10.9466 12.0633 12.0633 19.6864 19.6864 21.5574 21.5574 21.7266 21.7266 22.8727 22.8727 22.9182 22.9182 k = 0.1824 0.1824-0.0000 ( 3583 PWs) bands (ev): -5.9640 -5.9640 -2.9833 -2.9833 4.2577 4.2577 7.4569 7.4569 8.3639 8.3639 9.5396 9.5396 10.8428 10.8428 11.9943 11.9943 19.5639 19.5639 21.7069 21.7069 21.8930 21.8930 22.7195 22.7195 22.9471 22.9471 k = 0.1892 0.1892-0.0000 ( 3583 PWs) bands (ev): -5.9065 -5.9065 -2.9529 -2.9529 4.3157 4.3157 7.3512 7.3512 8.2716 8.2716 9.4429 9.4429 10.7384 10.7384 11.9251 11.9251 19.4438 19.4438 21.7635 21.7635 22.0840 22.0840 22.6031 22.6031 22.9936 22.9936 k = 0.1959 0.1959-0.0000 ( 3571 PWs) bands (ev): -5.8473 -5.8473 -2.9221 -2.9221 4.3752 4.3752 7.2467 7.2467 8.1823 8.1823 9.3444 9.3444 10.6338 10.6338 11.8559 11.8559 19.3264 19.3264 21.7085 21.7085 22.2879 22.2879 22.5558 22.5558 23.0472 23.0472 k = 0.2027 0.2027-0.0000 ( 3571 PWs) bands (ev): -5.7865 -5.7865 -2.8907 -2.8907 4.4360 4.4360 7.1434 7.1434 8.0961 8.0961 9.2441 9.2441 10.5292 10.5292 11.7869 11.7869 19.2114 19.2114 21.5688 21.5688 22.4448 22.4448 22.6000 22.6000 23.1057 23.1057 k = 0.2095 0.2095-0.0000 ( 3567 PWs) bands (ev): -5.7240 -5.7240 -2.8589 -2.8589 4.4979 4.4979 7.0417 7.0417 8.0130 8.0130 9.1422 9.1422 10.4249 10.4249 11.7181 11.7181 19.0988 19.0988 21.3840 21.3840 22.4553 22.4553 22.7889 22.7889 23.1640 23.1640 k = 0.2162 0.2162-0.0000 ( 3571 PWs) bands (ev): -5.6601 -5.6601 -2.8268 -2.8268 4.5609 4.5609 6.9416 6.9416 7.9332 7.9332 9.0390 9.0390 10.3212 10.3212 11.6498 11.6498 18.9886 18.9886 21.1782 21.1782 22.4015 22.4015 23.0167 23.0167 23.2172 23.2172 k = 0.2230 0.2230-0.0000 ( 3571 PWs) bands (ev): -5.5947 -5.5947 -2.7944 -2.7944 4.6247 4.6247 6.8433 6.8433 7.8567 7.8567 8.9346 8.9346 10.2185 10.2185 11.5820 11.5820 18.8810 18.8810 20.9631 20.9631 22.3095 22.3095 23.2415 23.2415 23.2754 23.2754 k = 0.2297 0.2297-0.0000 ( 3575 PWs) bands (ev): -5.5278 -5.5278 -2.7617 -2.7617 4.6892 4.6892 6.7469 6.7469 7.7836 7.7836 8.8292 8.8292 10.1168 10.1168 11.5149 11.5149 18.7759 18.7759 20.7445 20.7445 22.1873 22.1873 23.2981 23.2981 23.4996 23.4996 k = 0.2365 0.2365-0.0000 ( 3579 PWs) bands (ev): -5.4597 -5.4597 -2.7290 -2.7290 4.7542 4.7542 6.6528 6.6528 7.7139 7.7139 8.7229 8.7229 10.0164 10.0164 11.4486 11.4486 18.6733 18.6733 20.5252 20.5252 22.0419 22.0419 23.3290 23.3290 23.7445 23.7445 k = 0.2432 0.2432-0.0000 ( 3583 PWs) bands (ev): -5.3903 -5.3903 -2.6961 -2.6961 4.8193 4.8193 6.5610 6.5610 7.6476 7.6476 8.6160 8.6160 9.9176 9.9176 11.3832 11.3832 18.5733 18.5733 20.3068 20.3068 21.8793 21.8793 23.3472 23.3472 23.9915 23.9915 k = 0.2500 0.2500-0.0000 ( 3583 PWs) bands (ev): -5.3197 -5.3197 -2.6631 -2.6631 4.8842 4.8842 6.4719 6.4719 7.5847 7.5847 8.5086 8.5086 9.8205 9.8205 11.3188 11.3188 18.4758 18.4758 20.0907 20.0907 21.7040 21.7040 23.3453 23.3453 24.2346 24.2346 k = 0.2568 0.2568-0.0000 ( 3583 PWs) bands (ev): -5.2480 -5.2480 -2.6303 -2.6303 4.9485 4.9485 6.3858 6.3858 7.5252 7.5252 8.4010 8.4010 9.7252 9.7252 11.2556 11.2556 18.3808 18.3808 19.8774 19.8774 21.5196 21.5196 23.3126 23.3126 24.3789 24.3789 k = 0.2635 0.2635-0.0000 ( 3585 PWs) bands (ev): -5.1753 -5.1753 -2.5975 -2.5975 5.0116 5.0116 6.3033 6.3033 7.4691 7.4691 8.2934 8.2934 9.6320 9.6320 11.1936 11.1936 18.2883 18.2883 19.6675 19.6675 21.3287 21.3287 23.2389 23.2389 24.3155 24.3155 k = 0.2703 0.2703-0.0000 ( 3597 PWs) bands (ev): -5.1017 -5.1017 -2.5648 -2.5648 5.0728 5.0728 6.2247 6.2247 7.4164 7.4164 8.1860 8.1860 9.5409 9.5409 11.1328 11.1328 18.1984 18.1984 19.4614 19.4614 21.1334 21.1334 23.1215 23.1215 24.2744 24.2744 k = 0.2770 0.2770-0.0000 ( 3598 PWs) bands (ev): -5.0272 -5.0272 -2.5324 -2.5324 5.1310 5.1310 6.1512 6.1512 7.3671 7.3671 8.0791 8.0791 9.4521 9.4521 11.0735 11.0735 18.1111 18.1111 19.2594 19.2594 20.9352 20.9352 22.9684 22.9684 24.2711 24.2711 k = 0.2838 0.2838-0.0000 ( 3598 PWs) bands (ev): -4.9521 -4.9521 -2.5003 -2.5003 5.1848 5.1848 6.0837 6.0837 7.3209 7.3209 7.9732 7.9732 9.3657 9.3657 11.0157 11.0157 18.0264 18.0264 19.0617 19.0617 20.7356 20.7356 22.7911 22.7911 24.2969 24.2969 k = 0.2905 0.2905-0.0000 ( 3600 PWs) bands (ev): -4.8764 -4.8764 -2.4685 -2.4685 5.2324 5.2324 6.0239 6.0239 7.2778 7.2778 7.8687 7.8687 9.2818 9.2818 10.9595 10.9595 17.9442 17.9442 18.8685 18.8685 20.5356 20.5356 22.5991 22.5991 24.3422 24.3422 k = 0.2973 0.2973-0.0000 ( 3602 PWs) bands (ev): -4.8002 -4.8002 -2.4371 -2.4371 5.2711 5.2711 5.9742 5.9742 7.2376 7.2376 7.7660 7.7660 9.2005 9.2005 10.9050 10.9050 17.8646 17.8646 18.6802 18.6802 20.3361 20.3361 22.3990 22.3990 24.4007 24.4007 k = 0.3041 0.3041-0.0000 ( 3606 PWs) bands (ev): -4.7237 -4.7237 -2.4062 -2.4062 5.2980 5.2980 5.9369 5.9369 7.2000 7.2000 7.6659 7.6659 9.1219 9.1219 10.8522 10.8522 17.7875 17.7875 18.4966 18.4966 20.1378 20.1378 22.1950 22.1950 24.4684 24.4684 k = 0.3108 0.3108-0.0000 ( 3602 PWs) bands (ev): -4.6470 -4.6470 -2.3757 -2.3757 5.3103 5.3103 5.9146 5.9146 7.1645 7.1645 7.5693 7.5693 9.0460 9.0460 10.8012 10.8012 17.7130 17.7130 18.3181 18.3181 19.9415 19.9415 21.9897 21.9897 24.5429 24.5429 k = 0.3176 0.3176-0.0000 ( 3600 PWs) bands (ev): -4.5702 -4.5702 -2.3459 -2.3459 5.3068 5.3068 5.9076 5.9076 7.1306 7.1306 7.4774 7.4774 8.9730 8.9730 10.7521 10.7521 17.6411 17.6411 18.1447 18.1447 19.7477 19.7477 21.7848 21.7848 24.6223 24.6223 k = 0.3243 0.3243-0.0000 ( 3608 PWs) bands (ev): -4.4936 -4.4936 -2.3166 -2.3166 5.2886 5.2886 5.9140 5.9140 7.0972 7.0972 7.3920 7.3920 8.9028 8.9028 10.7050 10.7050 17.5717 17.5717 17.9765 17.9765 19.5570 19.5570 21.5816 21.5816 24.7053 24.7053 k = 0.3311 0.3311-0.0000 ( 3608 PWs) bands (ev): -4.4172 -4.4172 -2.2880 -2.2880 5.2589 5.2589 5.9296 5.9296 7.0630 7.0630 7.3155 7.3155 8.8357 8.8357 10.6600 10.6600 17.5050 17.5050 17.8136 17.8136 19.3699 19.3699 21.3810 21.3810 24.7914 24.7914 k = 0.3378 0.3378-0.0000 ( 3608 PWs) bands (ev): -4.3412 -4.3412 -2.2600 -2.2600 5.2212 5.2212 5.9496 5.9496 7.0266 7.0266 7.2505 7.2505 8.7715 8.7715 10.6170 10.6170 17.4408 17.4408 17.6560 17.6560 19.1868 19.1868 21.1836 21.1836 24.8797 24.8797 k = 0.3446 0.3446-0.0000 ( 3610 PWs) bands (ev): -4.2658 -4.2658 -2.2328 -2.2328 5.1786 5.1786 5.9692 5.9692 6.9873 6.9873 7.1990 7.1990 8.7104 8.7104 10.5762 10.5762 17.3793 17.3793 17.5039 17.5039 19.0082 19.0082 20.9901 20.9901 24.9696 24.9696 k = 0.3514 0.3514-0.0000 ( 3612 PWs) bands (ev): -4.1913 -4.1913 -2.2064 -2.2064 5.1333 5.1333 5.9844 5.9844 6.9472 6.9472 7.1609 7.1609 8.6525 8.6525 10.5376 10.5376 17.3201 17.3201 17.3576 17.3576 18.8344 18.8344 20.8009 20.8009 25.0607 25.0607 k = 0.3581 0.3581-0.0000 ( 3608 PWs) bands (ev): -4.1177 -4.1177 -2.1808 -2.1808 5.0870 5.0870 5.9916 5.9916 6.9103 6.9103 7.1339 7.1339 8.5978 8.5978 10.5013 10.5013 17.2159 17.2159 17.2644 17.2644 18.6658 18.6658 20.6164 20.6164 25.1526 25.1526 k = 0.3649 0.3649-0.0000 ( 3606 PWs) bands (ev): -4.0454 -4.0454 -2.1560 -2.1560 5.0405 5.0405 5.9881 5.9881 6.8808 6.8808 7.1153 7.1153 8.5463 8.5463 10.4672 10.4672 17.0807 17.0807 17.2105 17.2105 18.5029 18.5029 20.4372 20.4372 25.2448 25.2448 k = 0.3716 0.3716-0.0000 ( 3600 PWs) bands (ev): -3.9745 -3.9745 -2.1321 -2.1321 4.9948 4.9948 5.9727 5.9727 6.8615 6.8615 7.1028 7.1028 8.4982 8.4982 10.4354 10.4354 16.9509 16.9509 17.1593 17.1593 18.3459 18.3459 20.2635 20.2635 25.3369 25.3369 k = 0.3784 0.3784-0.0000 ( 3604 PWs) bands (ev): -3.9052 -3.9052 -2.1091 -2.1091 4.9502 4.9502 5.9452 5.9452 6.8531 6.8531 7.0949 7.0949 8.4533 8.4533 10.4060 10.4060 16.8269 16.8269 17.1108 17.1108 18.1951 18.1951 20.0957 20.0957 25.4284 25.4284 k = 0.3851 0.3851-0.0000 ( 3608 PWs) bands (ev): -3.8378 -3.8378 -2.0871 -2.0871 4.9071 4.9071 5.9072 5.9072 6.8548 6.8548 7.0906 7.0906 8.4119 8.4119 10.3789 10.3789 16.7087 16.7087 17.0649 17.0649 18.0509 18.0509 19.9341 19.9341 25.5189 25.5189 k = 0.3919 0.3919-0.0000 ( 3604 PWs) bands (ev): -3.7725 -3.7725 -2.0660 -2.0660 4.8659 4.8659 5.8608 5.8608 6.8646 6.8646 7.0892 7.0892 8.3739 8.3739 10.3541 10.3541 16.5963 16.5963 17.0216 17.0216 17.9135 17.9135 19.7791 19.7791 25.6083 25.6083 k = 0.3986 0.3986-0.0000 ( 3604 PWs) bands (ev): -3.7096 -3.7096 -2.0458 -2.0458 4.8267 4.8267 5.8086 5.8086 6.8801 6.8801 7.0902 7.0902 8.3392 8.3392 10.3316 10.3316 16.4898 16.4898 16.9809 16.9809 17.7832 17.7832 19.6311 19.6311 25.6958 25.6958 k = 0.4054 0.4054-0.0000 ( 3600 PWs) bands (ev): -3.6493 -3.6493 -2.0267 -2.0267 4.7896 4.7896 5.7529 5.7529 6.8994 6.8994 7.0931 7.0931 8.3080 8.3080 10.3114 10.3114 16.3894 16.3894 16.9428 16.9428 17.6604 17.6604 19.4905 19.4905 25.7810 25.7810 k = 0.4122 0.4122-0.0000 ( 3596 PWs) bands (ev): -3.5919 -3.5919 -2.0087 -2.0087 4.7548 4.7548 5.6955 5.6955 6.9207 6.9207 7.0976 7.0976 8.2801 8.2801 10.2934 10.2934 16.2951 16.2951 16.9073 16.9073 17.5451 17.5451 19.3575 19.3575 25.8636 25.8636 k = 0.4189 0.4189-0.0000 ( 3592 PWs) bands (ev): -3.5375 -3.5375 -1.9917 -1.9917 4.7223 4.7223 5.6381 5.6381 6.9426 6.9426 7.1031 7.1031 8.2554 8.2554 10.2775 10.2775 16.2070 16.2070 16.8745 16.8745 17.4377 17.4377 19.2326 19.2326 25.9431 25.9431 k = 0.4257 0.4257-0.0000 ( 3600 PWs) bands (ev): -3.4865 -3.4865 -1.9759 -1.9759 4.6923 4.6923 5.5819 5.5819 6.9642 6.9642 7.1093 7.1093 8.2339 8.2339 10.2636 10.2636 16.1252 16.1252 16.8443 16.8443 17.3382 17.3382 19.1161 19.1161 26.0187 26.0187 k = 0.4324 0.4324-0.0000 ( 3610 PWs) bands (ev): -3.4390 -3.4390 -1.9612 -1.9612 4.6648 4.6648 5.5280 5.5280 6.9848 6.9848 7.1159 7.1159 8.2154 8.2154 10.2516 10.2516 16.0499 16.0499 16.8167 16.8167 17.2470 17.2470 19.0083 19.0083 26.0899 26.0899 k = 0.4392 0.4392-0.0000 ( 3614 PWs) bands (ev): -3.3953 -3.3953 -1.9477 -1.9477 4.6398 4.6398 5.4772 5.4772 7.0042 7.0042 7.1225 7.1225 8.1998 8.1998 10.2414 10.2414 15.9812 15.9812 16.7917 16.7917 17.1641 17.1641 18.9095 18.9095 26.1564 26.1564 k = 0.4459 0.4459-0.0000 ( 3614 PWs) bands (ev): -3.3556 -3.3556 -1.9355 -1.9355 4.6173 4.6173 5.4301 5.4301 7.0220 7.0220 7.1287 7.1287 8.1868 8.1868 10.2328 10.2328 15.9191 15.9191 16.7693 16.7693 17.0897 17.0897 18.8202 18.8202 26.2178 26.2178 k = 0.4527 0.4527-0.0000 ( 3618 PWs) bands (ev): -3.3201 -3.3201 -1.9245 -1.9245 4.5975 4.5975 5.3873 5.3873 7.0381 7.0381 7.1343 7.1343 8.1761 8.1761 10.2257 10.2257 15.8640 15.8640 16.7495 16.7495 17.0238 17.0238 18.7406 18.7406 26.2731 26.2731 k = 0.4595 0.4595-0.0000 ( 3626 PWs) bands (ev): -3.2889 -3.2889 -1.9149 -1.9149 4.5802 4.5802 5.3494 5.3494 7.0524 7.0524 7.1390 7.1390 8.1676 8.1676 10.2200 10.2200 15.8158 15.8158 16.7324 16.7324 16.9666 16.9666 18.6709 18.6709 26.3223 26.3223 k = 0.4662 0.4662-0.0000 ( 3618 PWs) bands (ev): -3.2623 -3.2623 -1.9067 -1.9067 4.5656 4.5656 5.3166 5.3166 7.0650 7.0650 7.1428 7.1428 8.1609 8.1609 10.2154 10.2154 15.7748 15.7748 16.7179 16.7179 16.9181 16.9181 18.6115 18.6115 26.3649 26.3649 k = 0.4730 0.4730-0.0000 ( 3616 PWs) bands (ev): -3.2403 -3.2403 -1.8999 -1.8999 4.5537 4.5537 5.2893 5.2893 7.0756 7.0756 7.1455 7.1455 8.1558 8.1558 10.2119 10.2119 15.7411 15.7411 16.7060 16.7060 16.8784 16.8784 18.5626 18.5626 26.4002 26.4002 k = 0.4797 0.4797-0.0000 ( 3616 PWs) bands (ev): -3.2231 -3.2231 -1.8946 -1.8946 4.5444 4.5444 5.2679 5.2679 7.0842 7.0842 7.1474 7.1474 8.1521 8.1521 10.2093 10.2093 15.7147 15.7147 16.6967 16.6967 16.8475 16.8475 18.5244 18.5244 26.4282 26.4282 k = 0.4865 0.4865-0.0000 ( 3608 PWs) bands (ev): -3.2107 -3.2107 -1.8907 -1.8907 4.5377 4.5377 5.2524 5.2524 7.0906 7.0906 7.1484 7.1484 8.1496 8.1496 10.2076 10.2076 15.6958 15.6958 16.6901 16.6901 16.8254 16.8254 18.4969 18.4969 26.4486 26.4486 k = 0.4932 0.4932-0.0000 ( 3608 PWs) bands (ev): -3.2033 -3.2033 -1.8884 -1.8884 4.5337 4.5337 5.2430 5.2430 7.0946 7.0946 7.1489 7.1489 8.1481 8.1481 10.2066 10.2066 15.6844 15.6844 16.6861 16.6861 16.8122 16.8122 18.4804 18.4804 26.4607 26.4607 k = 0.5000 0.5000-0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k = 0.5000 0.5000-0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k = 0.4906 0.5000-0.0000 ( 3608 PWs) bands (ev): -3.2033 -3.2033 -1.8883 -1.8883 4.5336 4.5336 5.2430 5.2430 7.0941 7.0941 7.1495 7.1495 8.1481 8.1481 10.2069 10.2069 15.6841 15.6841 16.6851 16.6851 16.8123 16.8123 18.4811 18.4811 26.4609 26.4609 k = 0.4811 0.5000-0.0000 ( 3608 PWs) bands (ev): -3.2106 -3.2106 -1.8904 -1.8904 4.5371 4.5371 5.2520 5.2520 7.0887 7.0887 7.1505 7.1505 8.1496 8.1496 10.2089 10.2089 15.6943 15.6943 16.6861 16.6861 16.8258 16.8258 18.4995 18.4995 26.4494 26.4494 k = 0.4717 0.5000-0.0000 ( 3616 PWs) bands (ev): -3.2228 -3.2228 -1.8938 -1.8938 4.5431 4.5431 5.2667 5.2667 7.0806 7.0806 7.1516 7.1516 8.1521 8.1521 10.2121 10.2121 15.7114 15.7114 16.6881 16.6881 16.8483 16.8483 18.5299 18.5299 26.4302 26.4302 k = 0.4623 0.5000-0.0000 ( 3620 PWs) bands (ev): -3.2396 -3.2396 -1.8988 -1.8988 4.5515 4.5515 5.2867 5.2867 7.0705 7.0705 7.1522 7.1522 8.1561 8.1561 10.2164 10.2164 15.7354 15.7354 16.6913 16.6913 16.8797 16.8797 18.5719 18.5719 26.4041 26.4041 k = 0.4528 0.5000-0.0000 ( 3624 PWs) bands (ev): -3.2608 -3.2608 -1.9053 -1.9053 4.5624 4.5624 5.3113 5.3114 7.0588 7.0588 7.1523 7.1523 8.1617 8.1617 10.2216 10.2216 15.7662 15.7662 16.6964 16.6964 16.9198 16.9198 18.6250 18.6250 26.3713 26.3713 k = 0.4434 0.5000-0.0000 ( 3620 PWs) bands (ev): -3.2862 -3.2862 -1.9134 -1.9134 4.5758 4.5758 5.3399 5.3399 7.0459 7.0459 7.1521 7.1521 8.1695 8.1695 10.2276 10.2276 15.8039 15.8039 16.7039 16.7039 16.9685 16.9685 18.6885 18.6885 26.3328 26.3328 k = 0.4340 0.5000-0.0000 ( 3616 PWs) bands (ev): -3.3155 -3.3155 -1.9231 -1.9231 4.5916 4.5916 5.3716 5.3716 7.0319 7.0319 7.1520 7.1520 8.1798 8.1798 10.2340 10.2340 15.8485 15.8485 16.7144 16.7144 17.0256 17.0256 18.7618 18.7618 26.2889 26.2889 k = 0.4245 0.5000-0.0000 ( 3616 PWs) bands (ev): -3.3484 -3.3484 -1.9347 -1.9347 4.6096 4.6096 5.4056 5.4056 7.0169 7.0169 7.1526 7.1526 8.1933 8.1933 10.2406 10.2406 15.9000 15.9000 16.7284 16.7284 17.0909 17.0909 18.8443 18.8443 26.2401 26.2401 k = 0.4151 0.5000-0.0000 ( 3612 PWs) bands (ev): -3.3844 -3.3844 -1.9481 -1.9481 4.6296 4.6296 5.4409 5.4409 7.0007 7.0007 7.1548 7.1548 8.2104 8.2104 10.2472 10.2472 15.9583 15.9583 16.7465 16.7465 17.1641 17.1641 18.9354 18.9354 26.1874 26.1874 k = 0.4057 0.5000-0.0000 ( 3612 PWs) bands (ev): -3.4234 -3.4234 -1.9633 -1.9633 4.6513 4.6513 5.4766 5.4766 6.9832 6.9832 7.1595 7.1595 8.2318 8.2318 10.2536 10.2536 16.0234 16.0234 16.7692 16.7692 17.2449 17.2449 19.0343 19.0343 26.1313 26.1313 k = 0.3962 0.5000-0.0000 ( 3612 PWs) bands (ev): -3.4650 -3.4650 -1.9803 -1.9803 4.6742 4.6742 5.5117 5.5117 6.9644 6.9644 7.1679 7.1679 8.2580 8.2580 10.2594 10.2594 16.0953 16.0953 16.7970 16.7970 17.3331 17.3331 19.1406 19.1406 26.0725 26.0725 k = 0.3868 0.5000-0.0000 ( 3604 PWs) bands (ev): -3.5088 -3.5088 -1.9993 -1.9993 4.6978 4.6978 5.5455 5.5455 6.9441 6.9441 7.1808 7.1808 8.2896 8.2896 10.2646 10.2646 16.1740 16.1740 16.8301 16.8301 17.4284 17.4284 19.2538 19.2538 26.0115 26.0115 k = 0.3774 0.5000-0.0000 ( 3596 PWs) bands (ev): -3.5545 -3.5545 -2.0200 -2.0200 4.7216 4.7216 5.5771 5.5771 6.9223 6.9223 7.1993 7.1993 8.3273 8.3273 10.2690 10.2690 16.2592 16.2592 16.8689 16.8689 17.5306 17.5306 19.3734 19.3734 25.9489 25.9489 k = 0.3679 0.5000-0.0000 ( 3592 PWs) bands (ev): -3.6019 -3.6019 -2.0424 -2.0424 4.7448 4.7448 5.6058 5.6058 6.8993 6.8993 7.2239 7.2239 8.3714 8.3714 10.2725 10.2725 16.3510 16.3510 16.9136 16.9136 17.6393 17.6393 19.4989 19.4989 25.8850 25.8850 k = 0.3585 0.5000-0.0000 ( 3596 PWs) bands (ev): -3.6506 -3.6506 -2.0665 -2.0665 4.7670 4.7670 5.6311 5.6311 6.8751 6.8751 7.2554 7.2554 8.4225 8.4225 10.2749 10.2749 16.4492 16.4492 16.9643 16.9643 17.7544 17.7544 19.6299 19.6299 25.8203 25.8203 k = 0.3491 0.5000-0.0000 ( 3592 PWs) bands (ev): -3.7003 -3.7003 -2.0921 -2.0921 4.7874 4.7874 5.6524 5.6524 6.8500 6.8500 7.2944 7.2944 8.4808 8.4808 10.2763 10.2763 16.5536 16.5536 17.0212 17.0212 17.8754 17.8754 19.7661 19.7661 25.7554 25.7554 k = 0.3396 0.5000-0.0000 ( 3592 PWs) bands (ev): -3.7509 -3.7509 -2.1191 -2.1191 4.8056 4.8056 5.6696 5.6696 6.8241 6.8241 7.3411 7.3411 8.5465 8.5465 10.2768 10.2768 16.6641 16.6641 17.0843 17.0843 18.0022 18.0022 19.9072 19.9072 25.6906 25.6906 k = 0.3302 0.5000-0.0000 ( 3600 PWs) bands (ev): -3.8020 -3.8020 -2.1475 -2.1475 4.8209 4.8209 5.6823 5.6823 6.7977 6.7977 7.3960 7.3960 8.6196 8.6196 10.2763 10.2763 16.7806 16.7806 17.1536 17.1536 18.1345 18.1345 20.0528 20.0528 25.6262 25.6262 k = 0.3208 0.5000-0.0000 ( 3588 PWs) bands (ev): -3.8534 -3.8534 -2.1769 -2.1769 4.8331 4.8331 5.6907 5.6907 6.7710 6.7710 7.4592 7.4592 8.7000 8.7000 10.2752 10.2752 16.9027 16.9027 17.2290 17.2290 18.2720 18.2720 20.2028 20.2028 25.5626 25.5626 k = 0.3113 0.5000-0.0000 ( 3584 PWs) bands (ev): -3.9050 -3.9050 -2.2074 -2.2074 4.8419 4.8419 5.6947 5.6947 6.7442 6.7442 7.5308 7.5308 8.7873 8.7873 10.2736 10.2736 17.0302 17.0302 17.3105 17.3105 18.4145 18.4145 20.3567 20.3567 25.5001 25.5001 k = 0.3019 0.5000-0.0000 ( 3586 PWs) bands (ev): -3.9565 -3.9565 -2.2386 -2.2386 4.8472 4.8472 5.6945 5.6945 6.7172 6.7172 7.6108 7.6108 8.8810 8.8810 10.2720 10.2720 17.1628 17.1628 17.3981 17.3981 18.5616 18.5616 20.5142 20.5142 25.4388 25.4388 k = 0.2925 0.5000-0.0000 ( 3580 PWs) bands (ev): -4.0078 -4.0078 -2.2706 -2.2706 4.8489 4.8489 5.6904 5.6904 6.6903 6.6903 7.6991 7.6991 8.9802 8.9802 10.2709 10.2709 17.2999 17.2999 17.4919 17.4919 18.7131 18.7131 20.6754 20.6754 25.3792 25.3792 k = 0.2830 0.5000-0.0000 ( 3580 PWs) bands (ev): -4.0587 -4.0587 -2.3031 -2.3031 4.8473 4.8473 5.6826 5.6826 6.6635 6.6635 7.7955 7.7955 9.0839 9.0839 10.2710 10.2710 17.4407 17.4407 17.5923 17.5923 18.8687 18.8687 20.8398 20.8398 25.3213 25.3213 k = 0.2736 0.5000-0.0000 ( 3588 PWs) bands (ev): -4.1090 -4.1090 -2.3359 -2.3359 4.8424 4.8424 5.6714 5.6714 6.6368 6.6368 7.8997 7.8997 9.1907 9.1907 10.2733 10.2733 17.5833 17.5833 17.7006 17.7006 19.0280 19.0280 21.0072 21.0072 25.2654 25.2654 k = 0.2642 0.5000-0.0000 ( 3586 PWs) bands (ev): -4.1585 -4.1585 -2.3689 -2.3689 4.8345 4.8345 5.6573 5.6573 6.6102 6.6102 8.0114 8.0114 9.2988 9.2988 10.2794 10.2794 17.7241 17.7241 17.8200 17.8200 19.1909 19.1909 21.1774 21.1774 25.2118 25.2118 k = 0.2547 0.5000-0.0000 ( 3586 PWs) bands (ev): -4.2073 -4.2073 -2.4020 -2.4020 4.8241 4.8241 5.6405 5.6405 6.5839 6.5839 8.1299 8.1299 9.4057 9.4057 10.2912 10.2912 17.8582 17.8582 17.9546 17.9546 19.3568 19.3568 21.3502 21.3502 25.1604 25.1604 k = 0.2453 0.5000-0.0000 ( 3582 PWs) bands (ev): -4.2551 -4.2551 -2.4351 -2.4351 4.8113 4.8113 5.6216 5.6216 6.5578 6.5578 8.2549 8.2549 9.5080 9.5080 10.3117 10.3117 17.9852 17.9852 18.1042 18.1042 19.5254 19.5254 21.5254 21.5254 25.1115 25.1115 k = 0.2358 0.5000-0.0000 ( 3582 PWs) bands (ev): -4.3018 -4.3018 -2.4679 -2.4679 4.7965 4.7965 5.6009 5.6009 6.5321 6.5321 8.3856 8.3856 9.6019 9.6019 10.3445 10.3445 18.1094 18.1094 18.2641 18.2641 19.6962 19.6962 21.7027 21.7027 25.0643 25.0643 k = 0.2264 0.5000-0.0000 ( 3578 PWs) bands (ev): -4.3473 -4.3473 -2.5003 -2.5003 4.7801 4.7801 5.5786 5.5786 6.5066 6.5066 8.5214 8.5214 9.6828 9.6828 10.3937 10.3937 18.2335 18.2335 18.4304 18.4304 19.8686 19.8686 21.8818 21.8818 25.0151 25.0151 k = 0.2170 0.5000-0.0000 ( 3582 PWs) bands (ev): -4.3916 -4.3916 -2.5323 -2.5323 4.7623 4.7623 5.5553 5.5553 6.4815 6.4815 8.6614 8.6614 9.7479 9.7479 10.4620 10.4620 18.3588 18.3588 18.6013 18.6013 20.0420 20.0420 22.0625 22.0625 24.9074 24.9074 k = 0.2075 0.5000-0.0000 ( 3578 PWs) bands (ev): -4.4345 -4.4345 -2.5637 -2.5637 4.7436 4.7436 5.5312 5.5312 6.4568 6.4568 8.8046 8.8046 9.7967 9.7967 10.5496 10.5496 18.4853 18.4853 18.7757 18.7757 20.2156 20.2156 22.2446 22.2446 24.6727 24.6727 k = 0.1981 0.5000-0.0000 ( 3574 PWs) bands (ev): -4.4759 -4.4759 -2.5944 -2.5944 4.7241 4.7241 5.5066 5.5066 6.4327 6.4327 8.9498 8.9498 9.8322 9.8322 10.6538 10.6538 18.6130 18.6130 18.9528 18.9528 20.3881 20.3881 22.4276 22.4276 24.4275 24.4275 k = 0.1887 0.5000-0.0000 ( 3574 PWs) bands (ev): -4.5159 -4.5159 -2.6243 -2.6243 4.7042 4.7042 5.4817 5.4817 6.4091 6.4091 9.0951 9.0951 9.8589 9.8589 10.7706 10.7706 18.7413 18.7413 19.1318 19.1318 20.5582 20.5582 22.6113 22.6113 24.1901 24.1901 k = 0.1792 0.5000-0.0000 ( 3570 PWs) bands (ev): -4.5543 -4.5543 -2.6532 -2.6532 4.6841 4.6841 5.4569 5.4569 6.3861 6.3861 9.2377 9.2377 9.8825 9.8825 10.8960 10.8960 18.8700 18.8700 19.3119 19.3119 20.7241 20.7241 22.7952 22.7952 23.9645 23.9645 k = 0.1698 0.5000-0.0000 ( 3570 PWs) bands (ev): -4.5910 -4.5910 -2.6812 -2.6812 4.6639 4.6639 5.4324 5.4324 6.3639 6.3639 9.3726 9.3726 9.9098 9.9098 11.0267 11.0267 18.9984 18.9984 19.4920 19.4920 20.8831 20.8831 22.9788 22.9788 23.7547 23.7547 k = 0.1604 0.5000-0.0000 ( 3568 PWs) bands (ev): -4.6261 -4.6261 -2.7081 -2.7081 4.6439 4.6439 5.4082 5.4082 6.3424 6.3424 9.4914 9.4914 9.9507 9.9507 11.1601 11.1601 19.1260 19.1260 19.6707 19.6707 21.0318 21.0318 23.1612 23.1612 23.5654 23.5654 k = 0.1509 0.5000-0.0000 ( 3568 PWs) bands (ev): -4.6593 -4.6593 -2.7339 -2.7339 4.6243 4.6243 5.3847 5.3847 6.3217 6.3217 9.5829 9.5829 10.0170 10.0170 11.2940 11.2940 19.2521 19.2521 19.8465 19.8465 21.1655 21.1655 23.3321 23.3321 23.4116 23.4116 k = 0.1415 0.5000-0.0000 ( 3576 PWs) bands (ev): -4.6908 -4.6908 -2.7584 -2.7584 4.6052 4.6052 5.3620 5.3620 6.3019 6.3019 9.6411 9.6411 10.1147 10.1147 11.4266 11.4266 19.3761 19.3761 20.0167 20.0167 21.2789 21.2789 23.2607 23.2607 23.5296 23.5296 k = 0.1321 0.5000-0.0000 ( 3564 PWs) bands (ev): -4.7205 -4.7205 -2.7816 -2.7816 4.5868 4.5868 5.3402 5.3402 6.2831 6.2831 9.6725 9.6725 10.2376 10.2376 11.5564 11.5564 19.4972 19.4972 20.1781 20.1781 21.3666 21.3666 23.1663 23.1663 23.7058 23.7058 k = 0.1226 0.5000-0.0000 ( 3560 PWs) bands (ev): -4.7482 -4.7482 -2.8035 -2.8035 4.5692 4.5692 5.3194 5.3194 6.2654 6.2654 9.6873 9.6873 10.3747 10.3747 11.6819 11.6819 19.6147 19.6147 20.3257 20.3257 21.4260 21.4260 23.1116 23.1116 23.8793 23.8793 k = 0.1132 0.5000-0.0000 ( 3560 PWs) bands (ev): -4.7740 -4.7740 -2.8240 -2.8240 4.5525 4.5525 5.2998 5.2998 6.2487 6.2487 9.6929 9.6929 10.5183 10.5183 11.8019 11.8019 19.7278 19.7278 20.4529 20.4529 21.4603 21.4603 23.0949 23.0949 24.0448 24.0448 k = 0.1038 0.5000-0.0000 ( 3556 PWs) bands (ev): -4.7979 -4.7979 -2.8430 -2.8430 4.5368 4.5368 5.2814 5.2814 6.2331 6.2331 9.6935 9.6935 10.6635 10.6635 11.9152 11.9152 19.8358 19.8358 20.5514 20.5514 21.4796 21.4796 23.1061 23.1061 24.0874 24.0874 k = 0.0943 0.5000-0.0000 ( 3560 PWs) bands (ev): -4.8198 -4.8198 -2.8605 -2.8605 4.5222 4.5222 5.2644 5.2644 6.2187 6.2187 9.6913 9.6913 10.8071 10.8071 12.0204 12.0204 19.9377 19.9377 20.6137 20.6137 21.4960 21.4960 23.1313 23.1313 24.0407 24.0407 k = 0.0849 0.5000-0.0000 ( 3556 PWs) bands (ev): -4.8397 -4.8397 -2.8764 -2.8764 4.5088 4.5088 5.2488 5.2488 6.2056 6.2056 9.6876 9.6876 10.9467 10.9467 12.1166 12.1166 20.0328 20.0328 20.6378 20.6378 21.5162 21.5162 23.1612 23.1612 24.0440 24.0440 k = 0.0755 0.5000-0.0000 ( 3562 PWs) bands (ev): -4.8576 -4.8576 -2.8908 -2.8908 4.4966 4.4966 5.2347 5.2347 6.1937 6.1937 9.6832 9.6832 11.0804 11.0804 12.2028 12.2028 20.1201 20.1201 20.6297 20.6297 21.5372 21.5372 23.1969 23.1969 24.0964 24.0964 k = 0.0660 0.5000-0.0000 ( 3566 PWs) bands (ev): -4.8734 -4.8734 -2.9036 -2.9036 4.4857 4.4857 5.2221 5.2221 6.1832 6.1832 9.6786 9.6786 11.2060 11.2060 12.2783 12.2783 20.1985 20.1985 20.6009 20.6009 21.5510 21.5510 23.2477 23.2477 24.1846 24.1846 k = 0.0566 0.5000-0.0000 ( 3576 PWs) bands (ev): -4.8871 -4.8871 -2.9147 -2.9147 4.4762 4.4762 5.2111 5.2111 6.1740 6.1740 9.6741 9.6741 11.3217 11.3217 12.3427 12.3427 20.2664 20.2664 20.5630 20.5630 21.5514 21.5514 23.3221 23.3221 24.2918 24.2918 k = 0.0472 0.5000-0.0000 ( 3582 PWs) bands (ev): -4.8987 -4.8987 -2.9241 -2.9241 4.4681 4.4681 5.2017 5.2017 6.1661 6.1661 9.6700 9.6700 11.4254 11.4254 12.3956 12.3956 20.3212 20.3212 20.5264 20.5264 21.5383 21.5383 23.4224 23.4224 24.4001 24.4001 k = 0.0377 0.5000-0.0000 ( 3580 PWs) bands (ev): -4.9083 -4.9083 -2.9319 -2.9319 4.4614 4.4614 5.1940 5.1940 6.1597 6.1597 9.6664 9.6664 11.5148 11.5148 12.4373 12.4373 20.3572 20.3572 20.5017 20.5017 21.5156 21.5156 23.5451 23.5451 24.4895 24.4895 k = 0.0283 0.5000-0.0000 ( 3584 PWs) bands (ev): -4.9157 -4.9157 -2.9379 -2.9379 4.4561 4.4561 5.1880 5.1880 6.1546 6.1546 9.6635 9.6635 11.5876 11.5876 12.4684 12.4684 20.3683 20.3683 20.4978 20.4978 21.4895 21.4895 23.6821 23.6821 24.5373 24.5373 k = 0.0189 0.5000-0.0000 ( 3580 PWs) bands (ev): -4.9210 -4.9210 -2.9422 -2.9422 4.4524 4.4524 5.1836 5.1836 6.1510 6.1510 9.6614 9.6614 11.6417 11.6417 12.4896 12.4896 20.3624 20.3624 20.5085 20.5085 21.4661 21.4661 23.8212 23.8212 24.5297 24.5297 k = 0.0094 0.5000-0.0000 ( 3572 PWs) bands (ev): -4.9242 -4.9242 -2.9448 -2.9448 4.4501 4.4501 5.1810 5.1810 6.1488 6.1488 9.6602 9.6602 11.6751 11.6751 12.5019 12.5019 20.3542 20.3542 20.5195 20.5195 21.4500 21.4500 23.9398 23.9398 24.4828 24.4828 k = 0.0000 0.5000-0.0000 ( 3564 PWs) bands (ev): -4.9253 -4.9253 -2.9457 -2.9457 4.4493 4.4493 5.1802 5.1802 6.1481 6.1481 9.6597 9.6597 11.6864 11.6864 12.5059 12.5059 20.3509 20.3509 20.5237 20.5237 21.4443 21.4443 23.9920 23.9920 24.4524 24.4524 k = 0.0000 0.5000-0.0000 ( 3564 PWs) bands (ev): -4.9253 -4.9253 -2.9457 -2.9457 4.4493 4.4493 5.1802 5.1802 6.1481 6.1481 9.6597 9.6597 11.6864 11.6864 12.5059 12.5059 20.3509 20.3509 20.5237 20.5237 21.4443 21.4443 23.9920 23.9920 24.4524 24.4524 k = 0.0000 0.5000 0.0094 ( 3572 PWs) bands (ev): -4.9243 -4.9243 -2.9469 -2.9469 4.4367 4.4367 5.1922 5.1922 6.1482 6.1482 9.6648 9.6648 11.6868 11.6868 12.5059 12.5059 20.3488 20.3488 20.5167 20.5167 21.4447 21.4447 23.9818 23.9818 24.4571 24.4571 k = 0.0000 0.5000 0.0188 ( 3568 PWs) bands (ev): -4.9214 -4.9214 -2.9505 -2.9505 4.4016 4.4016 5.2250 5.2250 6.1490 6.1490 9.6800 9.6800 11.6882 11.6882 12.5061 12.5061 20.3412 20.3412 20.4974 20.4974 21.4461 21.4461 23.9523 23.9523 24.4698 24.4698 k = 0.0000 0.5000 0.0282 ( 3570 PWs) bands (ev): -4.9166 -4.9166 -2.9566 -2.9566 4.3504 4.3504 5.2703 5.2703 6.1529 6.1529 9.7049 9.7049 11.6906 11.6906 12.5063 12.5063 20.3235 20.3235 20.4711 20.4711 21.4483 21.4483 23.9052 23.9052 24.4860 24.4860 k = 0.0000 0.5000 0.0376 ( 3570 PWs) bands (ev): -4.9098 -4.9098 -2.9650 -2.9650 4.2892 4.2892 5.3185 5.3185 6.1636 6.1636 9.7388 9.7388 11.6939 11.6939 12.5067 12.5067 20.2876 20.2876 20.4475 20.4475 21.4512 21.4512 23.8428 23.8428 24.4898 24.4898 k = 0.0000 0.5000 0.0470 ( 3580 PWs) bands (ev): -4.9011 -4.9011 -2.9759 -2.9759 4.2228 4.2228 5.3604 5.3604 6.1861 6.1861 9.7809 9.7809 11.6982 11.6982 12.5072 12.5072 20.2285 20.2285 20.4329 20.4329 21.4548 21.4548 23.7657 23.7657 24.4239 24.4239 k = 0.0000 0.5000 0.0564 ( 3580 PWs) bands (ev): -4.8905 -4.8905 -2.9891 -2.9891 4.1546 4.1546 5.3884 5.3884 6.2254 6.2254 9.8303 9.8303 11.7035 11.7035 12.5078 12.5078 20.1492 20.1492 20.4266 20.4266 21.4590 21.4590 23.6737 23.6737 24.2845 24.2845 k = 0.0000 0.5000 0.0658 ( 3564 PWs) bands (ev): -4.8780 -4.8780 -3.0046 -3.0046 4.0866 4.0866 5.3981 5.3981 6.2848 6.2848 9.8858 9.8858 11.7098 11.7098 12.5085 12.5085 20.0549 20.0549 20.4253 20.4253 21.4636 21.4636 23.5644 23.5644 24.1373 24.1373 k = 0.0000 0.5000 0.0752 ( 3560 PWs) bands (ev): -4.8636 -4.8636 -3.0225 -3.0225 4.0203 4.0203 5.3883 5.3883 6.3643 6.3643 9.9462 9.9462 11.7173 11.7173 12.5094 12.5094 19.9495 19.9495 20.4268 20.4268 21.4684 21.4684 23.4351 23.4351 24.0030 24.0030 k = 0.0000 0.5000 0.0846 ( 3564 PWs) bands (ev): -4.8474 -4.8474 -3.0426 -3.0426 3.9566 3.9566 5.3614 5.3614 6.4617 6.4617 10.0103 10.0103 11.7259 11.7259 12.5103 12.5103 19.8362 19.8362 20.4300 20.4300 21.4731 21.4731 23.2856 23.2856 23.8871 23.8871 k = 0.0000 0.5000 0.0940 ( 3570 PWs) bands (ev): -4.8293 -4.8293 -3.0650 -3.0650 3.8962 3.8962 5.3204 5.3204 6.5735 6.5735 10.0767 10.0767 11.7357 11.7357 12.5114 12.5114 19.7172 19.7172 20.4345 20.4345 21.4776 21.4776 23.1187 23.1187 23.7891 23.7891 k = 0.0000 0.5000 0.1034 ( 3572 PWs) bands (ev): -4.8094 -4.8094 -3.0895 -3.0895 3.8397 3.8397 5.2687 5.2687 6.6968 6.6968 10.1442 10.1442 11.7469 11.7469 12.5126 12.5126 19.5947 19.5947 20.4399 20.4399 21.4816 21.4816 22.9391 22.9391 23.7062 23.7062 k = 0.0000 0.5000 0.1128 ( 3572 PWs) bands (ev): -4.7877 -4.7877 -3.1162 -3.1162 3.7873 3.7873 5.2089 5.2089 6.8289 6.8289 10.2114 10.2114 11.7596 11.7596 12.5139 12.5139 19.4706 19.4706 20.4457 20.4457 21.4847 21.4847 22.7510 22.7510 23.6351 23.6351 k = 0.0000 0.5000 0.1222 ( 3564 PWs) bands (ev): -4.7642 -4.7642 -3.1449 -3.1449 3.7394 3.7394 5.1432 5.1432 6.9678 6.9678 10.2770 10.2770 11.7738 11.7738 12.5152 12.5152 19.3467 19.3467 20.4519 20.4519 21.4865 21.4865 22.5579 22.5579 23.5735 23.5735 k = 0.0000 0.5000 0.1316 ( 3570 PWs) bands (ev): -4.7390 -4.7390 -3.1757 -3.1757 3.6962 3.6962 5.0731 5.0731 7.1122 7.1122 10.3397 10.3397 11.7897 11.7897 12.5165 12.5165 19.2245 19.2245 20.4579 20.4579 21.4868 21.4868 22.3622 22.3622 23.5199 23.5199 k = 0.0000 0.5000 0.1410 ( 3572 PWs) bands (ev): -4.7121 -4.7121 -3.2083 -3.2083 3.6577 3.6577 4.9998 4.9998 7.2609 7.2609 10.3982 10.3982 11.8074 11.8074 12.5177 12.5177 19.1057 19.1057 20.4634 20.4634 21.4850 21.4850 22.1660 22.1660 23.4733 23.4733 k = 0.0000 0.5000 0.1503 ( 3572 PWs) bands (ev): -4.6836 -4.6836 -3.2428 -3.2428 3.6241 3.6241 4.9245 4.9245 7.4131 7.4131 10.4512 10.4512 11.8271 11.8271 12.5187 12.5187 18.9919 18.9919 20.4678 20.4678 21.4809 21.4809 21.9711 21.9711 23.4332 23.4332 k = 0.0000 0.5000 0.1597 ( 3568 PWs) bands (ev): -4.6534 -4.6534 -3.2789 -3.2789 3.5955 3.5955 4.8478 4.8478 7.5678 7.5678 10.4976 10.4976 11.8487 11.8487 12.5192 12.5192 18.8845 18.8845 20.4701 20.4701 21.4738 21.4738 21.7796 21.7796 23.3991 23.3991 k = 0.0000 0.5000 0.1691 ( 3592 PWs) bands (ev): -4.6217 -4.6217 -3.3168 -3.3168 3.5718 3.5718 4.7705 4.7705 7.7246 7.7246 10.5364 10.5364 11.8723 11.8723 12.5192 12.5192 18.7849 18.7849 20.4684 20.4684 21.4625 21.4625 21.5949 21.5949 23.3708 23.3708 k = 0.0000 0.5000 0.1785 ( 3592 PWs) bands (ev): -4.5884 -4.5884 -3.3561 -3.3561 3.5531 3.5531 4.6930 4.6930 7.8828 7.8828 10.5666 10.5666 11.8978 11.8978 12.5185 12.5185 18.6946 18.6946 20.4602 20.4602 21.4059 21.4059 21.4614 21.4614 23.3482 23.3482 k = 0.0000 0.5000 0.1879 ( 3592 PWs) bands (ev): -4.5536 -4.5536 -3.3968 -3.3968 3.5394 3.5394 4.6159 4.6159 8.0418 8.0418 10.5876 10.5876 11.9250 11.9250 12.5167 12.5167 18.6149 18.6149 20.4407 20.4407 21.2493 21.2493 21.4390 21.4390 23.3311 23.3311 k = 0.0000 0.5000 0.1973 ( 3588 PWs) bands (ev): -4.5175 -4.5175 -3.4389 -3.4389 3.5306 3.5306 4.5395 4.5395 8.2011 8.2011 10.5987 10.5987 11.9537 11.9537 12.5135 12.5135 18.5469 18.5469 20.4025 20.4025 21.1095 21.1095 21.4188 21.4188 23.3194 23.3194 k = 0.0000 0.5000 0.2067 ( 3584 PWs) bands (ev): -4.4800 -4.4800 -3.4821 -3.4821 3.5267 3.5267 4.4643 4.4643 8.3602 8.3602 10.5996 10.5996 11.9836 11.9836 12.5088 12.5088 18.4918 18.4918 20.3368 20.3368 21.0010 21.0010 21.3959 21.3959 23.3129 23.3129 k = 0.0000 0.5000 0.2161 ( 3588 PWs) bands (ev): -4.4411 -4.4411 -3.5264 -3.5264 3.5276 3.5276 4.3904 4.3904 8.5185 8.5185 10.5899 10.5899 12.0144 12.0144 12.5022 12.5022 18.4505 18.4505 20.2393 20.2393 20.9290 20.9290 21.3700 21.3700 23.3116 23.3116 k = 0.0000 0.5000 0.2255 ( 3588 PWs) bands (ev): -4.4011 -4.4011 -3.5716 -3.5716 3.5332 3.5332 4.3183 4.3183 8.6754 8.6754 10.5696 10.5696 12.0458 12.0458 12.4935 12.4935 18.4238 18.4238 20.1146 20.1146 20.8896 20.8896 21.3415 21.3415 23.3153 23.3153 k = 0.0000 0.5000 0.2349 ( 3584 PWs) bands (ev): -4.3599 -4.3599 -3.6175 -3.6175 3.5436 3.5436 4.2481 4.2481 8.8305 8.8305 10.5386 10.5386 12.0774 12.0774 12.4826 12.4826 18.4121 18.4121 19.9728 19.9728 20.8736 20.8736 21.3106 21.3106 23.3241 23.3241 k = 0.0000 0.5000 0.2443 ( 3588 PWs) bands (ev): -4.3176 -4.3176 -3.6642 -3.6642 3.5585 3.5585 4.1801 4.1801 8.9830 8.9830 10.4970 10.4970 12.1091 12.1091 12.4693 12.4693 18.4160 18.4160 19.8226 19.8226 20.8727 20.8727 21.2778 21.2778 23.3375 23.3375 k = 0.0000 0.5000 0.2537 ( 3588 PWs) bands (ev): -4.2743 -4.2743 -3.7113 -3.7113 3.5779 3.5779 4.1145 4.1145 9.1324 9.1324 10.4449 10.4449 12.1405 12.1405 12.4537 12.4537 18.4353 18.4353 19.6700 19.6700 20.8819 20.8819 21.2435 21.2435 23.3557 23.3557 k = 0.0000 0.5000 0.2631 ( 3588 PWs) bands (ev): -4.2301 -4.2301 -3.7589 -3.7589 3.6017 3.6017 4.0515 4.0515 9.2781 9.2781 10.3824 10.3824 12.1717 12.1717 12.4358 12.4358 18.4701 18.4701 19.5188 19.5188 20.8978 20.8978 21.2082 21.2082 23.3784 23.3784 k = 0.0000 0.5000 0.2725 ( 3584 PWs) bands (ev): -4.1850 -4.1850 -3.8068 -3.8068 3.6297 3.6297 3.9913 3.9913 9.4193 9.4193 10.3098 10.3098 12.2023 12.2023 12.4157 12.4157 18.5200 18.5200 19.3717 19.3717 20.9187 20.9187 21.1725 21.1725 23.4055 23.4055 k = 0.0000 0.5000 0.2819 ( 3572 PWs) bands (ev): -4.1392 -4.1392 -3.8548 -3.8548 3.6618 3.6618 3.9341 3.9341 9.5554 9.5554 10.2275 10.2275 12.2324 12.2324 12.3937 12.3937 18.5845 18.5845 19.2306 19.2306 20.9433 20.9433 21.1366 21.1366 23.4368 23.4368 k = 0.0000 0.5000 0.2913 ( 3572 PWs) bands (ev): -4.0928 -4.0928 -3.9028 -3.9028 3.6980 3.6980 3.8800 3.8800 9.6857 9.6857 10.1358 10.1358 12.2619 12.2619 12.3700 12.3700 18.6628 18.6628 19.0971 19.0971 20.9709 20.9709 21.1012 21.1012 23.4721 23.4721 k = 0.0000 0.5000 0.3007 ( 3576 PWs) bands (ev): -4.0459 -4.0459 -3.9507 -3.9507 3.7380 3.7380 3.8291 3.8291 9.8096 9.8096 10.0352 10.0352 12.2905 12.2905 12.3447 12.3447 18.7542 18.7542 18.9724 18.9724 21.0010 21.0010 21.0665 21.0665 23.5111 23.5111 k = 0.0000 0.5000 0.3101 ( 3576 PWs) bands (ev): -3.9985 -3.9985 -3.9985 -3.9985 3.7818 3.7818 3.7818 3.7818 9.9263 9.9263 9.9263 9.9263 12.3181 12.3181 12.3181 12.3181 18.8577 18.8577 18.8577 18.8577 21.0329 21.0329 21.0329 21.0329 23.5536 23.5536 k = 0.0000 0.5000 0.3101 ( 3576 PWs) bands (ev): -3.9985 -3.9985 -3.9985 -3.9985 3.7818 3.7818 3.7818 3.7818 9.9263 9.9263 9.9263 9.9263 12.3181 12.3181 12.3181 12.3181 18.8577 18.8577 18.8577 18.8577 21.0329 21.0329 21.0329 21.0329 23.5536 23.5536 k = 0.0094 0.5000 0.3101 ( 3572 PWs) bands (ev): -3.9976 -3.9976 -3.9974 -3.9974 3.7826 3.7826 3.7830 3.7830 9.9188 9.9188 9.9312 9.9312 12.3027 12.3027 12.3193 12.3193 18.8555 18.8555 18.8606 18.8606 21.0424 21.0424 21.0434 21.0434 23.4678 23.4678 k = 0.0189 0.5000 0.3101 ( 3572 PWs) bands (ev): -3.9947 -3.9947 -3.9944 -3.9944 3.7853 3.7853 3.7863 3.7863 9.9087 9.9087 9.9337 9.9337 12.2731 12.2731 12.3063 12.3063 18.8540 18.8540 18.8641 18.8641 21.0715 21.0715 21.0735 21.0735 23.2992 23.2992 k = 0.0283 0.5000 0.3101 ( 3576 PWs) bands (ev): -3.9898 -3.9898 -3.9894 -3.9894 3.7901 3.7901 3.7916 3.7916 9.8958 9.8958 9.9336 9.9336 12.2298 12.2298 12.2798 12.2798 18.8531 18.8531 18.8680 18.8680 21.1193 21.1193 21.1226 21.1226 23.1041 23.1041 k = 0.0377 0.5000 0.3101 ( 3580 PWs) bands (ev): -3.9831 -3.9831 -3.9824 -3.9824 3.7969 3.7969 3.7989 3.7989 9.8798 9.8798 9.9309 9.9309 12.1735 12.1735 12.2405 12.2405 18.8528 18.8528 18.8722 18.8722 21.1844 21.1844 21.1894 21.1894 22.9029 22.9029 k = 0.0472 0.5000 0.3101 ( 3580 PWs) bands (ev): -3.9743 -3.9743 -3.9735 -3.9735 3.8057 3.8057 3.8082 3.8082 9.8604 9.8604 9.9253 9.9253 12.1054 12.1054 12.1897 12.1897 18.8528 18.8528 18.8764 18.8764 21.2645 21.2645 21.2717 21.2717 22.7043 22.7043 k = 0.0566 0.5000 0.3101 ( 3580 PWs) bands (ev): -3.9636 -3.9636 -3.9627 -3.9627 3.8164 3.8164 3.8194 3.8194 9.8373 9.8373 9.9166 9.9166 12.0266 12.0266 12.1286 12.1286 18.8529 18.8529 18.8803 18.8803 21.3554 21.3554 21.3653 21.3653 22.5143 22.5143 k = 0.0660 0.5000 0.3101 ( 3588 PWs) bands (ev): -3.9510 -3.9510 -3.9499 -3.9499 3.8290 3.8290 3.8327 3.8327 9.8099 9.8099 9.9044 9.9044 11.9387 11.9387 12.0589 12.0589 18.8528 18.8528 18.8837 18.8837 21.4489 21.4489 21.4620 21.4620 22.3418 22.3418 k = 0.0755 0.5000 0.3101 ( 3588 PWs) bands (ev): -3.9365 -3.9365 -3.9353 -3.9353 3.8436 3.8436 3.8479 3.8479 9.7777 9.7777 9.8880 9.8880 11.8434 11.8434 11.9820 11.9820 18.8521 18.8521 18.8861 18.8861 21.5268 21.5268 21.5423 21.5423 22.2063 22.2063 k = 0.0849 0.5000 0.3101 ( 3584 PWs) bands (ev): -3.9202 -3.9202 -3.9187 -3.9187 3.8601 3.8601 3.8651 3.8651 9.7402 9.7402 9.8670 9.8670 11.7424 11.7424 11.9000 11.9000 18.8502 18.8502 18.8871 18.8871 21.5529 21.5529 21.5646 21.5646 22.1490 22.1490 k = 0.0943 0.5000 0.3101 ( 3592 PWs) bands (ev): -3.9019 -3.9019 -3.9004 -3.9004 3.8784 3.8784 3.8841 3.8841 9.6966 9.6966 9.8405 9.8405 11.6376 11.6376 11.8144 11.8144 18.8465 18.8465 18.8861 18.8861 21.4979 21.4979 21.4990 21.4990 22.1992 22.1992 k = 0.1038 0.5000 0.3101 ( 3596 PWs) bands (ev): -3.8819 -3.8819 -3.8801 -3.8801 3.8985 3.8985 3.9051 3.9051 9.6463 9.6463 9.8076 9.8076 11.5311 11.5311 11.7270 11.7270 18.8405 18.8405 18.8823 18.8823 21.3782 21.3782 21.3853 21.3853 22.3235 22.3235 k = 0.1132 0.5000 0.3101 ( 3596 PWs) bands (ev): -3.8600 -3.8600 -3.8581 -3.8581 3.9205 3.9205 3.9279 3.9279 9.5886 9.5886 9.7673 9.7673 11.4249 11.4249 11.6397 11.6397 18.8312 18.8312 18.8750 18.8750 21.2392 21.2392 21.2507 21.2507 22.4845 22.4845 k = 0.1226 0.5000 0.3101 ( 3592 PWs) bands (ev): -3.8364 -3.8364 -3.8344 -3.8344 3.9441 3.9441 3.9525 3.9525 9.5230 9.5230 9.7184 9.7184 11.3210 11.3210 11.5538 11.5538 18.8177 18.8177 18.8633 18.8633 21.0988 21.0988 21.1124 21.1124 22.6625 22.6637 k = 0.1321 0.5000 0.3101 ( 3596 PWs) bands (ev): -3.8110 -3.8110 -3.8089 -3.8089 3.9695 3.9695 3.9790 3.9790 9.4491 9.4491 9.6600 9.6600 11.2214 11.2214 11.4706 11.4706 18.7990 18.7990 18.8460 18.8460 20.9644 20.9644 20.9786 20.9786 22.8475 22.8557 k = 0.1415 0.5000 0.3101 ( 3596 PWs) bands (ev): -3.7840 -3.7840 -3.7818 -3.7818 3.9965 3.9965 4.0071 4.0071 9.3666 9.3666 9.5911 9.5911 11.1278 11.1278 11.3914 11.3914 18.7740 18.7740 18.8221 18.8221 20.8400 20.8400 20.8538 20.8538 23.0389 23.0389 k = 0.1509 0.5000 0.3101 ( 3592 PWs) bands (ev): -3.7553 -3.7553 -3.7530 -3.7530 4.0251 4.0251 4.0369 4.0369 9.2755 9.2755 9.5112 9.5112 11.0415 11.0415 11.3168 11.3168 18.7417 18.7417 18.7905 18.7905 20.7280 20.7280 20.7408 20.7408 23.2316 23.2316 k = 0.1604 0.5000 0.3101 ( 3588 PWs) bands (ev): -3.7251 -3.7251 -3.7226 -3.7226 4.0551 4.0551 4.0684 4.0684 9.1759 9.1759 9.4202 9.4202 10.9633 10.9633 11.2472 11.2472 18.7013 18.7013 18.7503 18.7503 20.6304 20.6304 20.6415 20.6415 23.4210 23.4210 k = 0.1698 0.5000 0.3101 ( 3588 PWs) bands (ev): -3.6933 -3.6933 -3.6907 -3.6907 4.0866 4.0866 4.1014 4.1014 9.0685 9.0685 9.3185 9.3185 10.8933 10.8933 11.1828 11.1828 18.6523 18.6523 18.7010 18.7010 20.5481 20.5481 20.5569 20.5569 23.6018 23.6018 k = 0.1792 0.5000 0.3101 ( 3592 PWs) bands (ev): -3.6601 -3.6601 -3.6574 -3.6574 4.1195 4.1195 4.1359 4.1359 8.9537 8.9538 9.2069 9.2069 10.8313 10.8313 11.1235 11.1235 18.5945 18.5945 18.6425 18.6425 20.4816 20.4816 20.4878 20.4878 23.7675 23.7675 k = 0.1887 0.5000 0.3101 ( 3588 PWs) bands (ev): -3.6255 -3.6255 -3.6227 -3.6227 4.1536 4.1536 4.1718 4.1718 8.8326 8.8326 9.0866 9.0866 10.7766 10.7766 11.0689 11.0689 18.5284 18.5284 18.5753 18.5753 20.4309 20.4309 20.4340 20.4340 23.9107 23.9107 k = 0.1981 0.5000 0.3101 ( 3600 PWs) bands (ev): -3.5895 -3.5895 -3.5866 -3.5866 4.1889 4.1889 4.2090 4.2090 8.7059 8.7059 8.9590 8.9590 10.7282 10.7282 11.0186 11.0186 18.4548 18.4548 18.5004 18.5004 20.3948 20.3948 20.3950 20.3950 24.0230 24.0230 k = 0.2075 0.5000 0.3101 ( 3600 PWs) bands (ev): -3.5523 -3.5523 -3.5494 -3.5494 4.2252 4.2252 4.2475 4.2475 8.5746 8.5746 8.8256 8.8256 10.6851 10.6851 10.9720 10.9720 18.3751 18.3751 18.4193 18.4193 20.3694 20.3694 20.3730 20.3730 24.0975 24.0975 k = 0.2170 0.5000 0.3101 ( 3608 PWs) bands (ev): -3.5139 -3.5139 -3.5109 -3.5109 4.2625 4.2625 4.2872 4.2872 8.4398 8.4398 8.6878 8.6878 10.6464 10.6464 10.9285 10.9285 18.2908 18.2908 18.3335 18.3335 20.3563 20.3563 20.3633 20.3633 24.1303 24.1303 k = 0.2264 0.5000 0.3101 ( 3608 PWs) bands (ev): -3.4745 -3.4745 -3.4714 -3.4714 4.3006 4.3006 4.3278 4.3278 8.3023 8.3023 8.5469 8.5469 10.6109 10.6109 10.8875 10.8875 18.2033 18.2033 18.2445 18.2445 20.3542 20.3542 20.3646 20.3646 24.1225 24.1225 k = 0.2358 0.5000 0.3101 ( 3608 PWs) bands (ev): -3.4341 -3.4341 -3.4309 -3.4309 4.3394 4.3394 4.3694 4.3694 8.1631 8.1631 8.4040 8.4040 10.5781 10.5781 10.8484 10.8484 18.1141 18.1141 18.1540 18.1540 20.3618 20.3618 20.3753 20.3753 24.0795 24.0795 k = 0.2453 0.5000 0.3101 ( 3604 PWs) bands (ev): -3.3928 -3.3928 -3.3896 -3.3896 4.3786 4.3786 4.4117 4.4117 8.0230 8.0230 8.2603 8.2603 10.5470 10.5470 10.8109 10.8109 18.0247 18.0247 18.0632 18.0632 20.3778 20.3778 20.3942 20.3942 24.0088 24.0088 k = 0.2547 0.5000 0.3101 ( 3604 PWs) bands (ev): -3.3507 -3.3507 -3.3475 -3.3475 4.4182 4.4182 4.4547 4.4547 7.8829 7.8829 8.1168 8.1168 10.5172 10.5172 10.7743 10.7743 17.9361 17.9361 17.9733 17.9733 20.4009 20.4009 20.4202 20.4202 23.9178 23.9178 k = 0.2642 0.5000 0.3101 ( 3608 PWs) bands (ev): -3.3080 -3.3080 -3.3048 -3.3048 4.4580 4.4580 4.4980 4.4980 7.7434 7.7434 7.9742 7.9742 10.4882 10.4882 10.7383 10.7383 17.8493 17.8493 17.8854 17.8854 20.4304 20.4304 20.4524 20.4524 23.8126 23.8126 k = 0.2736 0.5000 0.3101 ( 3612 PWs) bands (ev): -3.2648 -3.2648 -3.2615 -3.2615 4.4977 4.4977 4.5417 4.5417 7.6053 7.6053 7.8333 7.8333 10.4595 10.4595 10.7025 10.7025 17.7652 17.7652 17.8001 17.8001 20.4653 20.4653 20.4898 20.4898 23.6979 23.6979 k = 0.2830 0.5000 0.3101 ( 3616 PWs) bands (ev): -3.2212 -3.2212 -3.2180 -3.2180 4.5372 4.5372 4.5853 4.5853 7.4693 7.4693 7.6949 7.6949 10.4310 10.4310 10.6667 10.6667 17.6845 17.6845 17.7182 17.7182 20.5050 20.5050 20.5318 20.5318 23.5773 23.5773 k = 0.2925 0.5000 0.3101 ( 3616 PWs) bands (ev): -3.1774 -3.1774 -3.1741 -3.1741 4.5761 4.5761 4.6287 4.6287 7.3360 7.3360 7.5595 7.5595 10.4023 10.4023 10.6307 10.6307 17.6076 17.6076 17.6402 17.6402 20.5488 20.5488 20.5778 20.5778 23.4535 23.4535 k = 0.3019 0.5000 0.3101 ( 3612 PWs) bands (ev): -3.1335 -3.1335 -3.1303 -3.1303 4.6143 4.6143 4.6716 4.6716 7.2060 7.2060 7.4279 7.4279 10.3734 10.3734 10.5944 10.5944 17.5350 17.5350 17.5664 17.5664 20.5961 20.5961 20.6272 20.6272 23.3285 23.3285 k = 0.3113 0.5000 0.3101 ( 3612 PWs) bands (ev): -3.0897 -3.0897 -3.0865 -3.0865 4.6513 4.6513 4.7137 4.7137 7.0800 7.0800 7.3005 7.3005 10.3442 10.3442 10.5575 10.5575 17.4669 17.4669 17.4971 17.4971 20.6465 20.6465 20.6796 20.6796 23.2039 23.2039 k = 0.3208 0.5000 0.3101 ( 3600 PWs) bands (ev): -3.0461 -3.0461 -3.0430 -3.0430 4.6871 4.6871 4.7547 4.7547 6.9585 6.9585 7.1779 7.1779 10.3147 10.3147 10.5202 10.5202 17.4036 17.4036 17.4325 17.4325 20.6995 20.6995 20.7345 20.7345 23.0807 23.0807 k = 0.3302 0.5000 0.3101 ( 3600 PWs) bands (ev): -3.0030 -3.0030 -2.9999 -2.9999 4.7211 4.7211 4.7941 4.7941 6.8423 6.8423 7.0607 7.0607 10.2848 10.2848 10.4824 10.4824 17.3451 17.3451 17.3727 17.3727 20.7545 20.7545 20.7914 20.7914 22.9600 22.9600 k = 0.3396 0.5000 0.3101 ( 3604 PWs) bands (ev): -2.9605 -2.9605 -2.9575 -2.9575 4.7531 4.7531 4.8316 4.8316 6.7319 6.7319 6.9493 6.9493 10.2548 10.2548 10.4441 10.4441 17.2915 17.2915 17.3177 17.3177 20.8113 20.8113 20.8500 20.8500 22.8426 22.8426 k = 0.3491 0.5000 0.3101 ( 3608 PWs) bands (ev): -2.9188 -2.9188 -2.9159 -2.9159 4.7828 4.7828 4.8665 4.8665 6.6280 6.6280 6.8442 6.8442 10.2247 10.2247 10.4055 10.4055 17.2428 17.2428 17.2675 17.2675 20.8694 20.8694 20.9097 20.9097 22.7292 22.7292 k = 0.3585 0.5000 0.3101 ( 3608 PWs) bands (ev): -2.8782 -2.8782 -2.8753 -2.8753 4.8098 4.8098 4.8985 4.8985 6.5313 6.5313 6.7459 6.7459 10.1948 10.1948 10.3668 10.3668 17.1988 17.1988 17.2221 17.2221 20.9283 20.9283 20.9702 20.9702 22.6205 22.6205 k = 0.3679 0.5000 0.3101 ( 3616 PWs) bands (ev): -2.8388 -2.8388 -2.8360 -2.8360 4.8338 4.8338 4.9269 4.9269 6.4424 6.4424 6.6547 6.6547 10.1652 10.1652 10.3281 10.3281 17.1594 17.1594 17.1812 17.1812 20.9874 20.9874 21.0309 21.0309 22.5171 22.5171 k = 0.3774 0.5000 0.3101 ( 3608 PWs) bands (ev): -2.8008 -2.8008 -2.7981 -2.7981 4.8546 4.8546 4.9512 4.9512 6.3621 6.3621 6.5709 6.5709 10.1362 10.1362 10.2897 10.2897 17.1245 17.1245 17.1447 17.1447 21.0463 21.0463 21.0913 21.0913 22.4196 22.4196 k = 0.3868 0.5000 0.3101 ( 3612 PWs) bands (ev): -2.7644 -2.7644 -2.7620 -2.7620 4.8721 4.8721 4.9709 4.9709 6.2910 6.2910 6.4948 6.4948 10.1081 10.1081 10.2518 10.2518 17.0938 17.0938 17.1124 17.1124 21.1043 21.1043 21.1507 21.1507 22.3285 22.3285 k = 0.3962 0.5000 0.3101 ( 3608 PWs) bands (ev): -2.7300 -2.7300 -2.7277 -2.7277 4.8862 4.8862 4.9855 4.9855 6.2294 6.2294 6.4264 6.4264 10.0811 10.0811 10.2147 10.2147 17.0671 17.0671 17.0841 17.0841 21.1607 21.1607 21.2085 21.2085 22.2444 22.2444 k = 0.4057 0.5000 0.3101 ( 3608 PWs) bands (ev): -2.6976 -2.6976 -2.6955 -2.6955 4.8969 4.8969 4.9949 4.9949 6.1776 6.1776 6.3657 6.3657 10.0557 10.0557 10.1787 10.1787 17.0440 17.0440 17.0595 17.0595 21.2148 21.2148 21.2636 21.2636 22.1680 22.1680 k = 0.4151 0.5000 0.3101 ( 3612 PWs) bands (ev): -2.6676 -2.6676 -2.6656 -2.6656 4.9046 4.9046 4.9992 4.9992 6.1356 6.1356 6.3124 6.3124 10.0321 10.0321 10.1442 10.1442 17.0244 17.0244 17.0382 17.0382 21.2655 21.2655 21.3152 21.3152 22.0999 22.0999 k = 0.4245 0.5000 0.3101 ( 3620 PWs) bands (ev): -2.6400 -2.6400 -2.6382 -2.6382 4.9096 4.9096 4.9987 4.9987 6.1030 6.1030 6.2661 6.2661 10.0107 10.0107 10.1115 10.1115 17.0079 17.0079 17.0201 17.0201 21.3118 21.3118 21.3618 21.3618 22.0407 22.0407 k = 0.4340 0.5000 0.3101 ( 3620 PWs) bands (ev): -2.6152 -2.6152 -2.6136 -2.6136 4.9124 4.9124 4.9941 4.9941 6.0791 6.0791 6.2262 6.2262 9.9917 9.9917 10.0808 10.0808 16.9942 16.9942 17.0049 17.0049 21.3529 21.3529 21.4024 21.4024 21.9913 21.9916 k = 0.4434 0.5000 0.3101 ( 3624 PWs) bands (ev): -2.5932 -2.5932 -2.5918 -2.5918 4.9138 4.9138 4.9863 4.9863 6.0629 6.0629 6.1922 6.1922 9.9754 9.9754 10.0526 10.0526 16.9831 16.9831 16.9922 16.9922 21.3877 21.3877 21.4355 21.4355 21.9488 21.9489 k = 0.4528 0.5000 0.3101 ( 3628 PWs) bands (ev): -2.5743 -2.5743 -2.5731 -2.5731 4.9143 4.9143 4.9763 4.9763 6.0535 6.0535 6.1633 6.1633 9.9622 9.9622 10.0271 10.0271 16.9743 16.9743 16.9818 16.9818 21.4157 21.4157 21.4599 21.4599 21.9156 21.9156 k = 0.4623 0.5000 0.3101 ( 3620 PWs) bands (ev): -2.5586 -2.5586 -2.5576 -2.5576 4.9148 4.9148 4.9653 4.9653 6.0497 6.0497 6.1387 6.1387 9.9523 9.9523 10.0046 10.0046 16.9676 16.9676 16.9736 16.9736 21.4370 21.4370 21.4755 21.4755 21.8933 21.8934 k = 0.4717 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5462 -2.5462 -2.5455 -2.5455 4.9158 4.9158 4.9542 4.9542 6.0504 6.0504 6.1178 6.1178 9.9459 9.9459 9.9853 9.9853 16.9628 16.9628 16.9672 16.9672 21.4523 21.4523 21.4830 21.4830 21.8803 21.8804 k = 0.4811 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5373 -2.5373 -2.5368 -2.5368 4.9180 4.9180 4.9438 4.9438 6.0548 6.0548 6.1000 6.1000 9.9431 9.9431 9.9694 9.9694 16.9596 16.9596 16.9626 16.9626 21.4633 21.4633 21.4846 21.4846 21.8742 21.8742 k = 0.4906 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5318 -2.5318 -2.5316 -2.5316 4.9217 4.9217 4.9347 4.9347 6.0623 6.0623 6.0850 6.0850 9.9440 9.9440 9.9572 9.9572 16.9581 16.9581 16.9596 16.9596 21.4713 21.4713 21.4822 21.4822 21.8724 21.8724 k = 0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k = 0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k = 0.4932 0.4932 0.3101 ( 3632 PWs) bands (ev): -2.5317 -2.5317 -2.5317 -2.5317 4.9281 4.9281 4.9281 4.9281 6.0737 6.0737 6.0737 6.0737 9.9508 9.9508 9.9508 9.9508 16.9585 16.9585 16.9585 16.9585 21.4786 21.4786 21.4786 21.4786 21.8721 21.8721 k = 0.4865 0.4865 0.3101 ( 3632 PWs) bands (ev): -2.5372 -2.5372 -2.5372 -2.5372 4.9307 4.9307 4.9307 4.9307 6.0775 6.0775 6.0775 6.0775 9.9571 9.9571 9.9571 9.9571 16.9598 16.9598 16.9598 16.9598 21.4820 21.4820 21.4820 21.4820 21.8699 21.8699 k = 0.4797 0.4797 0.3101 ( 3630 PWs) bands (ev): -2.5463 -2.5463 -2.5463 -2.5463 4.9351 4.9351 4.9351 4.9351 6.0838 6.0838 6.0838 6.0838 9.9676 9.9676 9.9676 9.9676 16.9620 16.9620 16.9620 16.9620 21.4876 21.4876 21.4876 21.4876 21.8664 21.8664 k = 0.4730 0.4730 0.3101 ( 3630 PWs) bands (ev): -2.5589 -2.5589 -2.5589 -2.5589 4.9412 4.9412 4.9412 4.9412 6.0926 6.0926 6.0926 6.0926 9.9821 9.9821 9.9821 9.9821 16.9653 16.9653 16.9653 16.9653 21.4955 21.4955 21.4955 21.4955 21.8619 21.8619 k = 0.4662 0.4662 0.3101 ( 3626 PWs) bands (ev): -2.5751 -2.5751 -2.5751 -2.5751 4.9490 4.9490 4.9490 4.9490 6.1040 6.1040 6.1040 6.1040 10.0004 10.0004 10.0004 10.0004 16.9697 16.9697 16.9697 16.9697 21.5055 21.5055 21.5055 21.5055 21.8571 21.8571 k = 0.4595 0.4595 0.3101 ( 3622 PWs) bands (ev): -2.5948 -2.5948 -2.5948 -2.5948 4.9586 4.9586 4.9586 4.9586 6.1180 6.1180 6.1180 6.1180 10.0224 10.0224 10.0224 10.0224 16.9755 16.9755 16.9755 16.9755 21.5177 21.5177 21.5177 21.5177 21.8523 21.8523 k = 0.4527 0.4527 0.3101 ( 3622 PWs) bands (ev): -2.6178 -2.6178 -2.6178 -2.6178 4.9700 4.9700 4.9700 4.9700 6.1345 6.1345 6.1345 6.1345 10.0478 10.0478 10.0478 10.0478 16.9828 16.9828 16.9828 16.9828 21.5321 21.5321 21.5321 21.5321 21.8481 21.8481 k = 0.4459 0.4459 0.3101 ( 3622 PWs) bands (ev): -2.6441 -2.6441 -2.6441 -2.6441 4.9832 4.9832 4.9832 4.9832 6.1537 6.1537 6.1537 6.1537 10.0763 10.0763 10.0763 10.0763 16.9919 16.9919 16.9919 16.9919 21.5485 21.5485 21.5485 21.5485 21.8452 21.8452 k = 0.4392 0.4392 0.3101 ( 3622 PWs) bands (ev): -2.6736 -2.6736 -2.6736 -2.6736 4.9982 4.9982 4.9982 4.9982 6.1754 6.1754 6.1754 6.1754 10.1076 10.1076 10.1076 10.1076 17.0031 17.0031 17.0031 17.0031 21.5671 21.5671 21.5671 21.5671 21.8440 21.8440 k = 0.4324 0.4324 0.3101 ( 3622 PWs) bands (ev): -2.7062 -2.7062 -2.7062 -2.7062 5.0151 5.0151 5.0151 5.0151 6.1998 6.1998 6.1998 6.1998 10.1413 10.1413 10.1413 10.1413 17.0166 17.0166 17.0166 17.0166 21.5875 21.5875 21.5875 21.5875 21.8452 21.8452 k = 0.4257 0.4257 0.3101 ( 3622 PWs) bands (ev): -2.7418 -2.7418 -2.7418 -2.7418 5.0337 5.0337 5.0337 5.0337 6.2268 6.2268 6.2268 6.2268 10.1772 10.1772 10.1772 10.1772 17.0329 17.0329 17.0329 17.0329 21.6099 21.6099 21.6099 21.6099 21.8492 21.8492 k = 0.4189 0.4189 0.3101 ( 3622 PWs) bands (ev): -2.7802 -2.7802 -2.7802 -2.7802 5.0543 5.0543 5.0543 5.0543 6.2564 6.2564 6.2564 6.2564 10.2147 10.2147 10.2147 10.2147 17.0522 17.0522 17.0522 17.0522 21.6342 21.6342 21.6342 21.6342 21.8566 21.8566 k = 0.4122 0.4122 0.3101 ( 3614 PWs) bands (ev): -2.8212 -2.8212 -2.8212 -2.8212 5.0767 5.0767 5.0767 5.0767 6.2888 6.2888 6.2888 6.2888 10.2535 10.2535 10.2535 10.2535 17.0749 17.0749 17.0749 17.0749 21.6603 21.6603 21.6603 21.6603 21.8676 21.8676 k = 0.4054 0.4054 0.3101 ( 3616 PWs) bands (ev): -2.8648 -2.8648 -2.8648 -2.8648 5.1011 5.1011 5.1011 5.1011 6.3238 6.3238 6.3238 6.3238 10.2932 10.2932 10.2932 10.2932 17.1013 17.1013 17.1013 17.1013 21.6881 21.6881 21.6881 21.6881 21.8825 21.8825 k = 0.3986 0.3986 0.3101 ( 3612 PWs) bands (ev): -2.9108 -2.9108 -2.9108 -2.9108 5.1273 5.1273 5.1273 5.1273 6.3615 6.3615 6.3615 6.3615 10.3334 10.3334 10.3334 10.3334 17.1319 17.1319 17.1319 17.1319 21.7177 21.7177 21.7177 21.7177 21.9016 21.9016 k = 0.3919 0.3919 0.3101 ( 3608 PWs) bands (ev): -2.9591 -2.9591 -2.9591 -2.9591 5.1554 5.1554 5.1554 5.1554 6.4019 6.4019 6.4019 6.4019 10.3736 10.3736 10.3736 10.3736 17.1669 17.1669 17.1669 17.1669 21.7491 21.7491 21.7491 21.7491 21.9251 21.9251 k = 0.3851 0.3851 0.3101 ( 3600 PWs) bands (ev): -3.0094 -3.0094 -3.0094 -3.0094 5.1855 5.1855 5.1855 5.1855 6.4450 6.4450 6.4450 6.4450 10.4135 10.4135 10.4135 10.4135 17.2068 17.2068 17.2068 17.2068 21.7824 21.7824 21.7824 21.7824 21.9530 21.9530 k = 0.3784 0.3784 0.3101 ( 3598 PWs) bands (ev): -3.0616 -3.0616 -3.0616 -3.0616 5.2174 5.2174 5.2174 5.2174 6.4908 6.4908 6.4908 6.4908 10.4527 10.4527 10.4527 10.4527 17.2518 17.2518 17.2518 17.2518 21.8177 21.8177 21.8177 21.8177 21.9852 21.9852 k = 0.3716 0.3716 0.3101 ( 3600 PWs) bands (ev): -3.1157 -3.1157 -3.1157 -3.1157 5.2512 5.2512 5.2512 5.2512 6.5392 6.5392 6.5392 6.5392 10.4909 10.4909 10.4909 10.4909 17.3022 17.3022 17.3022 17.3022 21.8553 21.8553 21.8553 21.8553 22.0216 22.0216 k = 0.3649 0.3649 0.3101 ( 3596 PWs) bands (ev): -3.1713 -3.1713 -3.1713 -3.1713 5.2869 5.2869 5.2869 5.2869 6.5903 6.5903 6.5903 6.5903 10.5276 10.5276 10.5276 10.5276 17.3583 17.3583 17.3583 17.3583 21.8953 21.8953 21.8953 21.8953 22.0622 22.0622 k = 0.3581 0.3581 0.3101 ( 3596 PWs) bands (ev): -3.2284 -3.2284 -3.2284 -3.2284 5.3244 5.3244 5.3244 5.3244 6.6441 6.6441 6.6441 6.6441 10.5627 10.5627 10.5627 10.5627 17.4203 17.4203 17.4203 17.4203 21.9377 21.9377 21.9377 21.9377 22.1066 22.1066 k = 0.3514 0.3514 0.3101 ( 3592 PWs) bands (ev): -3.2868 -3.2868 -3.2868 -3.2868 5.3637 5.3637 5.3637 5.3637 6.7005 6.7005 6.7005 6.7005 10.5959 10.5959 10.5959 10.5959 17.4883 17.4883 17.4883 17.4883 21.9829 21.9829 21.9829 21.9829 22.1548 22.1548 k = 0.3446 0.3446 0.3101 ( 3594 PWs) bands (ev): -3.3463 -3.3463 -3.3463 -3.3463 5.4049 5.4049 5.4049 5.4049 6.7596 6.7596 6.7596 6.7596 10.6269 10.6269 10.6269 10.6269 17.5625 17.5625 17.5625 17.5625 22.0306 22.0306 22.0306 22.0306 22.2067 22.2067 k = 0.3378 0.3378 0.3101 ( 3596 PWs) bands (ev): -3.4069 -3.4069 -3.4069 -3.4069 5.4478 5.4478 5.4478 5.4478 6.8212 6.8212 6.8212 6.8212 10.6556 10.6556 10.6556 10.6556 17.6430 17.6430 17.6430 17.6430 22.0810 22.0810 22.0810 22.0810 22.2624 22.2624 k = 0.3311 0.3311 0.3101 ( 3592 PWs) bands (ev): -3.4682 -3.4682 -3.4682 -3.4682 5.4924 5.4924 5.4924 5.4924 6.8854 6.8854 6.8854 6.8854 10.6820 10.6820 10.6820 10.6820 17.7297 17.7297 17.7297 17.7297 22.1338 22.1338 22.1338 22.1338 22.3217 22.3217 k = 0.3243 0.3243 0.3101 ( 3596 PWs) bands (ev): -3.5303 -3.5303 -3.5303 -3.5303 5.5386 5.5386 5.5386 5.5386 6.9522 6.9522 6.9522 6.9522 10.7059 10.7059 10.7059 10.7059 17.8226 17.8226 17.8226 17.8226 22.1887 22.1887 22.1887 22.1887 22.3847 22.3847 k = 0.3176 0.3176 0.3101 ( 3596 PWs) bands (ev): -3.5930 -3.5930 -3.5930 -3.5930 5.5865 5.5865 5.5865 5.5865 7.0214 7.0214 7.0214 7.0214 10.7274 10.7274 10.7274 10.7274 17.9215 17.9215 17.9215 17.9215 22.2456 22.2456 22.2457 22.2457 22.4516 22.4516 k = 0.3108 0.3108 0.3101 ( 3598 PWs) bands (ev): -3.6560 -3.6560 -3.6560 -3.6560 5.6358 5.6358 5.6358 5.6358 7.0932 7.0932 7.0932 7.0932 10.7464 10.7464 10.7464 10.7464 18.0262 18.0262 18.0262 18.0262 22.3041 22.3041 22.3041 22.3041 22.5225 22.5225 k = 0.3041 0.3041 0.3101 ( 3592 PWs) bands (ev): -3.7193 -3.7193 -3.7193 -3.7193 5.6866 5.6866 5.6866 5.6866 7.1673 7.1673 7.1673 7.1673 10.7631 10.7631 10.7631 10.7631 18.1366 18.1366 18.1366 18.1366 22.3636 22.3636 22.3636 22.3636 22.5974 22.5974 k = 0.2973 0.2973 0.3101 ( 3592 PWs) bands (ev): -3.7828 -3.7828 -3.7828 -3.7828 5.7388 5.7388 5.7388 5.7388 7.2438 7.2438 7.2438 7.2438 10.7776 10.7776 10.7776 10.7776 18.2522 18.2522 18.2522 18.2522 22.4236 22.4236 22.4236 22.4236 22.6764 22.6764 k = 0.2905 0.2905 0.3101 ( 3588 PWs) bands (ev): -3.8464 -3.8464 -3.8464 -3.8464 5.7923 5.7923 5.7923 5.7923 7.3227 7.3227 7.3227 7.3227 10.7899 10.7899 10.7899 10.7899 18.3727 18.3727 18.3727 18.3727 22.4836 22.4836 22.4836 22.4836 22.7597 22.7597 k = 0.2838 0.2838 0.3101 ( 3586 PWs) bands (ev): -3.9098 -3.9098 -3.9098 -3.9098 5.8470 5.8470 5.8470 5.8470 7.4038 7.4038 7.4038 7.4038 10.8004 10.8004 10.8004 10.8004 18.4977 18.4977 18.4977 18.4977 22.5427 22.5427 22.5427 22.5427 22.8471 22.8471 k = 0.2770 0.2770 0.3101 ( 3590 PWs) bands (ev): -3.9731 -3.9731 -3.9731 -3.9731 5.9027 5.9027 5.9027 5.9027 7.4872 7.4872 7.4872 7.4872 10.8092 10.8092 10.8092 10.8092 18.6265 18.6265 18.6265 18.6265 22.6004 22.6004 22.6004 22.6004 22.9385 22.9385 k = 0.2703 0.2703 0.3101 ( 3588 PWs) bands (ev): -4.0360 -4.0360 -4.0360 -4.0360 5.9595 5.9595 5.9595 5.9595 7.5727 7.5727 7.5727 7.5727 10.8166 10.8166 10.8166 10.8166 18.7588 18.7588 18.7588 18.7588 22.6554 22.6554 22.6554 22.6554 23.0338 23.0338 k = 0.2635 0.2635 0.3101 ( 3588 PWs) bands (ev): -4.0985 -4.0985 -4.0985 -4.0985 6.0170 6.0170 6.0170 6.0170 7.6603 7.6603 7.6603 7.6603 10.8227 10.8227 10.8227 10.8227 18.8937 18.8937 18.8937 18.8937 22.7067 22.7067 22.7067 22.7067 23.1325 23.1325 k = 0.2568 0.2568 0.3101 ( 3592 PWs) bands (ev): -4.1605 -4.1605 -4.1605 -4.1605 6.0753 6.0753 6.0753 6.0753 7.7500 7.7500 7.7500 7.7500 10.8279 10.8279 10.8279 10.8279 19.0307 19.0307 19.0307 19.0307 22.7525 22.7525 22.7525 22.7525 23.2342 23.2342 k = 0.2500 0.2500 0.3101 ( 3600 PWs) bands (ev): -4.2219 -4.2219 -4.2219 -4.2219 6.1342 6.1342 6.1342 6.1342 7.8415 7.8415 7.8415 7.8415 10.8325 10.8325 10.8325 10.8325 19.1688 19.1688 19.1688 19.1688 22.7908 22.7908 22.7908 22.7908 23.3380 23.3380 k = 0.2432 0.2432 0.3101 ( 3596 PWs) bands (ev): -4.2826 -4.2826 -4.2826 -4.2826 6.1936 6.1936 6.1936 6.1936 7.9349 7.9349 7.9349 7.9349 10.8367 10.8367 10.8367 10.8367 19.3072 19.3072 19.3072 19.3072 22.8190 22.8190 22.8190 22.8190 23.4431 23.4431 k = 0.2365 0.2365 0.3101 ( 3596 PWs) bands (ev): -4.3425 -4.3425 -4.3425 -4.3425 6.2532 6.2532 6.2532 6.2532 8.0301 8.0301 8.0301 8.0301 10.8408 10.8408 10.8408 10.8408 19.4450 19.4450 19.4450 19.4450 22.8338 22.8338 22.8338 22.8338 23.5478 23.5478 k = 0.2297 0.2297 0.3101 ( 3600 PWs) bands (ev): -4.4015 -4.4015 -4.4015 -4.4015 6.3130 6.3130 6.3130 6.3130 8.1269 8.1269 8.1269 8.1269 10.8452 10.8452 10.8452 10.8452 19.5810 19.5810 19.5810 19.5810 22.8314 22.8314 22.8314 22.8314 23.6502 23.6502 k = 0.2230 0.2230 0.3101 ( 3600 PWs) bands (ev): -4.4595 -4.4595 -4.4595 -4.4595 6.3728 6.3728 6.3728 6.3728 8.2253 8.2253 8.2253 8.2253 10.8500 10.8500 10.8500 10.8500 19.7140 19.7140 19.7140 19.7140 22.8080 22.8080 22.8080 22.8080 23.7475 23.7475 k = 0.2162 0.2162 0.3101 ( 3600 PWs) bands (ev): -4.5165 -4.5165 -4.5165 -4.5165 6.4324 6.4324 6.4324 6.4324 8.3250 8.3250 8.3250 8.3250 10.8557 10.8557 10.8557 10.8557 19.8426 19.8426 19.8426 19.8426 22.7602 22.7602 22.7602 22.7602 23.8360 23.8360 k = 0.2095 0.2095 0.3101 ( 3600 PWs) bands (ev): -4.5724 -4.5724 -4.5724 -4.5724 6.4916 6.4916 6.4916 6.4916 8.4260 8.4260 8.4260 8.4260 10.8624 10.8624 10.8624 10.8624 19.9651 19.9651 19.9651 19.9651 22.6864 22.6864 22.6864 22.6864 23.9113 23.9113 k = 0.2027 0.2027 0.3101 ( 3592 PWs) bands (ev): -4.6271 -4.6271 -4.6271 -4.6271 6.5503 6.5503 6.5503 6.5503 8.5282 8.5282 8.5282 8.5282 10.8705 10.8705 10.8705 10.8705 20.0800 20.0800 20.0800 20.0800 22.5869 22.5869 22.5869 22.5869 23.9687 23.9687 k = 0.1959 0.1959 0.3101 ( 3588 PWs) bands (ev): -4.6805 -4.6805 -4.6805 -4.6805 6.6082 6.6082 6.6082 6.6082 8.6313 8.6313 8.6313 8.6313 10.8801 10.8801 10.8801 10.8801 20.1852 20.1852 20.1852 20.1852 22.4641 22.4641 22.4641 22.4641 24.0049 24.0049 k = 0.1892 0.1892 0.3101 ( 3586 PWs) bands (ev): -4.7327 -4.7327 -4.7327 -4.7327 6.6653 6.6653 6.6653 6.6653 8.7353 8.7353 8.7353 8.7353 10.8916 10.8916 10.8916 10.8916 20.2787 20.2787 20.2787 20.2787 22.3218 22.3218 22.3218 22.3218 24.0201 24.0201 k = 0.1824 0.1824 0.3101 ( 3578 PWs) bands (ev): -4.7835 -4.7835 -4.7835 -4.7835 6.7213 6.7213 6.7213 6.7213 8.8398 8.8398 8.8398 8.8398 10.9052 10.9052 10.9052 10.9052 20.3582 20.3582 20.3582 20.3582 22.1641 22.1641 22.1641 22.1641 24.0184 24.0184 k = 0.1757 0.1757 0.3101 ( 3574 PWs) bands (ev): -4.8328 -4.8328 -4.8328 -4.8328 6.7760 6.7760 6.7760 6.7760 8.9448 8.9448 8.9448 8.9448 10.9211 10.9211 10.9211 10.9211 20.4217 20.4217 20.4217 20.4217 21.9951 21.9951 21.9951 21.9951 24.0071 24.0071 k = 0.1689 0.1689 0.3101 ( 3574 PWs) bands (ev): -4.8807 -4.8807 -4.8807 -4.8807 6.8293 6.8293 6.8293 6.8293 9.0499 9.0499 9.0499 9.0499 10.9394 10.9394 10.9394 10.9394 20.4672 20.4672 20.4672 20.4672 21.8180 21.8180 21.8180 21.8180 23.9942 23.9942 k = 0.1622 0.1622 0.3101 ( 3574 PWs) bands (ev): -4.9271 -4.9271 -4.9271 -4.9271 6.8810 6.8810 6.8810 6.8810 9.1549 9.1549 9.1549 9.1549 10.9604 10.9604 10.9604 10.9604 20.4933 20.4933 20.4933 20.4933 21.6358 21.6358 21.6358 21.6358 23.9868 23.9868 k = 0.1554 0.1554 0.3101 ( 3578 PWs) bands (ev): -4.9719 -4.9719 -4.9719 -4.9719 6.9309 6.9309 6.9309 6.9309 9.2596 9.2596 9.2596 9.2596 10.9841 10.9841 10.9841 10.9841 20.4991 20.4991 20.4991 20.4991 21.4506 21.4506 21.4506 21.4506 23.9905 23.9905 k = 0.1486 0.1486 0.3101 ( 3578 PWs) bands (ev): -5.0151 -5.0151 -5.0151 -5.0151 6.9790 6.9790 6.9790 6.9790 9.3637 9.3637 9.3637 9.3637 11.0107 11.0107 11.0107 11.0107 20.4847 20.4847 20.4847 20.4847 21.2644 21.2644 21.2644 21.2644 24.0085 24.0085 k = 0.1419 0.1419 0.3101 ( 3582 PWs) bands (ev): -5.0566 -5.0566 -5.0566 -5.0566 7.0251 7.0251 7.0251 7.0251 9.4668 9.4668 9.4668 9.4668 11.0402 11.0402 11.0402 11.0402 20.4508 20.4508 20.4508 20.4508 21.0788 21.0788 21.0788 21.0788 24.0423 24.0423 k = 0.1351 0.1351 0.3101 ( 3578 PWs) bands (ev): -5.0965 -5.0965 -5.0965 -5.0965 7.0690 7.0690 7.0690 7.0690 9.5686 9.5686 9.5686 9.5686 11.0727 11.0727 11.0727 11.0727 20.3990 20.3990 20.3990 20.3990 20.8954 20.8954 20.8954 20.8954 24.0922 24.0922 k = 0.1284 0.1284 0.3101 ( 3570 PWs) bands (ev): -5.1346 -5.1346 -5.1346 -5.1346 7.1107 7.1107 7.1107 7.1107 9.6688 9.6688 9.6688 9.6688 11.1080 11.1080 11.1080 11.1080 20.3307 20.3307 20.3307 20.3307 20.7156 20.7156 20.7156 20.7156 24.1571 24.1571 k = 0.1216 0.1216 0.3101 ( 3566 PWs) bands (ev): -5.1709 -5.1709 -5.1709 -5.1709 7.1502 7.1502 7.1502 7.1502 9.7670 9.7670 9.7670 9.7670 11.1462 11.1462 11.1462 11.1462 20.2477 20.2477 20.2477 20.2477 20.5416 20.5416 20.5416 20.5416 24.2355 24.2355 k = 0.1149 0.1149 0.3101 ( 3566 PWs) bands (ev): -5.2055 -5.2055 -5.2055 -5.2055 7.1873 7.1873 7.1873 7.1873 9.8628 9.8628 9.8628 9.8628 11.1870 11.1870 11.1870 11.1870 20.1504 20.1504 20.1504 20.1504 20.3761 20.3761 20.3761 20.3761 24.3255 24.3255 k = 0.1081 0.1081 0.3101 ( 3566 PWs) bands (ev): -5.2382 -5.2382 -5.2382 -5.2382 7.2220 7.2220 7.2220 7.2220 9.9559 9.9559 9.9559 9.9559 11.2303 11.2303 11.2303 11.2303 20.0383 20.0383 20.0383 20.0383 20.2231 20.2231 20.2231 20.2231 24.4253 24.4253 k = 0.1014 0.1014 0.3101 ( 3566 PWs) bands (ev): -5.2691 -5.2691 -5.2691 -5.2691 7.2543 7.2543 7.2543 7.2543 10.0457 10.0457 10.0457 10.0457 11.2757 11.2757 11.2757 11.2757 19.9113 19.9113 19.9113 19.9113 20.0858 20.0858 20.0858 20.0858 24.5328 24.5328 k = 0.0946 0.0946 0.3101 ( 3574 PWs) bands (ev): -5.2981 -5.2981 -5.2981 -5.2981 7.2843 7.2843 7.2843 7.2843 10.1319 10.1319 10.1319 10.1319 11.3229 11.3229 11.3229 11.3229 19.7735 19.7735 19.7735 19.7735 19.9628 19.9628 19.9628 19.9628 24.6461 24.6461 k = 0.0878 0.0878 0.3101 ( 3578 PWs) bands (ev): -5.3252 -5.3252 -5.3252 -5.3252 7.3118 7.3118 7.3118 7.3118 10.2142 10.2142 10.2142 10.2142 11.3715 11.3715 11.3715 11.3715 19.6321 19.6321 19.6321 19.6321 19.8499 19.8499 19.8499 19.8499 24.7638 24.7638 k = 0.0811 0.0811 0.3101 ( 3582 PWs) bands (ev): -5.3504 -5.3504 -5.3504 -5.3504 7.3370 7.3370 7.3370 7.3370 10.2920 10.2920 10.2920 10.2920 11.4209 11.4209 11.4209 11.4209 19.4923 19.4923 19.4923 19.4923 19.7438 19.7438 19.7438 19.7438 24.8840 24.8840 k = 0.0743 0.0743 0.3101 ( 3586 PWs) bands (ev): -5.3736 -5.3736 -5.3736 -5.3736 7.3599 7.3599 7.3599 7.3599 10.3651 10.3651 10.3651 10.3651 11.4705 11.4705 11.4705 11.4705 19.3576 19.3576 19.3576 19.3576 19.6435 19.6435 19.6435 19.6435 25.0054 25.0054 k = 0.0676 0.0676 0.3101 ( 3584 PWs) bands (ev): -5.3949 -5.3949 -5.3949 -5.3949 7.3806 7.3806 7.3806 7.3806 10.4331 10.4331 10.4331 10.4331 11.5196 11.5196 11.5196 11.5196 19.2299 19.2299 19.2299 19.2299 19.5491 19.5491 19.5491 19.5491 25.1263 25.1263 k = 0.0608 0.0608 0.3101 ( 3584 PWs) bands (ev): -5.4142 -5.4142 -5.4142 -5.4142 7.3990 7.3990 7.3990 7.3990 10.4957 10.4957 10.4957 10.4957 11.5674 11.5674 11.5674 11.5674 19.1107 19.1107 19.1107 19.1107 19.4609 19.4609 19.4609 19.4609 25.2452 25.2452 k = 0.0541 0.0541 0.3101 ( 3576 PWs) bands (ev): -5.4315 -5.4315 -5.4315 -5.4315 7.4153 7.4153 7.4153 7.4153 10.5526 10.5526 10.5526 10.5526 11.6133 11.6133 11.6133 11.6133 19.0011 19.0011 19.0011 19.0011 19.3798 19.3798 19.3798 19.3798 25.3603 25.3604 k = 0.0473 0.0473 0.3101 ( 3576 PWs) bands (ev): -5.4468 -5.4468 -5.4468 -5.4468 7.4295 7.4295 7.4295 7.4295 10.6035 10.6035 10.6035 10.6035 11.6563 11.6563 11.6563 11.6563 18.9019 18.9019 18.9019 18.9019 19.3064 19.3064 19.3064 19.3064 25.4698 25.4698 k = 0.0405 0.0405 0.3101 ( 3576 PWs) bands (ev): -5.4601 -5.4601 -5.4601 -5.4601 7.4416 7.4416 7.4416 7.4416 10.6482 10.6482 10.6482 10.6482 11.6956 11.6956 11.6956 11.6956 18.8140 18.8140 18.8140 18.8140 19.2412 19.2412 19.2412 19.2412 25.5717 25.5717 k = 0.0338 0.0338 0.3101 ( 3576 PWs) bands (ev): -5.4713 -5.4713 -5.4713 -5.4713 7.4518 7.4518 7.4518 7.4518 10.6864 10.6864 10.6864 10.6864 11.7304 11.7304 11.7304 11.7304 18.7383 18.7383 18.7383 18.7383 19.1850 19.1850 19.1850 19.1850 25.6638 25.6638 k = 0.0270 0.0270 0.3101 ( 3578 PWs) bands (ev): -5.4805 -5.4805 -5.4805 -5.4805 7.4601 7.4601 7.4601 7.4601 10.7179 10.7179 10.7179 10.7179 11.7601 11.7601 11.7601 11.7601 18.6753 18.6753 18.6753 18.6753 19.1383 19.1383 19.1383 19.1383 25.7438 25.7438 k = 0.0203 0.0203 0.3101 ( 3582 PWs) bands (ev): -5.4877 -5.4877 -5.4877 -5.4877 7.4664 7.4664 7.4664 7.4664 10.7426 10.7426 10.7426 10.7426 11.7839 11.7839 11.7839 11.7839 18.6256 18.6256 18.6256 18.6256 19.1015 19.1015 19.1015 19.1015 25.8093 25.8093 k = 0.0135 0.0135 0.3101 ( 3574 PWs) bands (ev): -5.4928 -5.4928 -5.4928 -5.4928 7.4710 7.4710 7.4710 7.4710 10.7604 10.7604 10.7604 10.7604 11.8014 11.8014 11.8014 11.8014 18.5898 18.5898 18.5898 18.5898 19.0750 19.0750 19.0750 19.0750 25.8582 25.8582 k = 0.0068 0.0068 0.3101 ( 3566 PWs) bands (ev): -5.4959 -5.4959 -5.4959 -5.4959 7.4737 7.4737 7.4737 7.4737 10.7711 10.7711 10.7711 10.7711 11.8120 11.8120 11.8120 11.8120 18.5682 18.5682 18.5682 18.5682 19.0589 19.0589 19.0589 19.0589 25.8884 25.8884 k = 0.0000 0.0000 0.3101 ( 3562 PWs) bands (ev): -5.4969 -5.4969 -5.4969 -5.4969 7.4746 7.4746 7.4746 7.4746 10.7747 10.7747 10.7747 10.7747 11.8156 11.8156 11.8156 11.8156 18.5610 18.5610 18.5610 18.5610 19.0536 19.0536 19.0536 19.0536 25.8986 25.8986 k = 0.0000 0.0000 0.3101 ( 3562 PWs) bands (ev): -5.4969 -5.4969 -5.4969 -5.4969 7.4746 7.4746 7.4746 7.4746 10.7747 10.7747 10.7747 10.7747 11.8156 11.8156 11.8156 11.8156 18.5610 18.5610 18.5610 18.5610 19.0536 19.0536 19.0536 19.0536 25.8986 25.8986 k = 0.0000 0.0000 0.3007 ( 3562 PWs) bands (ev): -5.5679 -5.5679 -5.4245 -5.4245 7.3031 7.3031 7.6444 7.6444 10.7439 10.7439 10.8061 10.8061 11.7971 11.7971 11.8352 11.8352 18.5261 18.5261 18.5993 18.5993 18.9871 18.9871 19.1258 19.1258 25.8596 25.8596 k = 0.0000 0.0000 0.2913 ( 3562 PWs) bands (ev): -5.6373 -5.6373 -5.3506 -5.3506 7.1304 7.1304 7.8119 7.8119 10.7139 10.7139 10.8380 10.8380 11.7802 11.7802 11.8555 11.8555 18.4949 18.4949 18.6411 18.6411 18.9265 18.9265 19.2037 19.2037 25.7971 25.7971 k = 0.0000 0.0000 0.2819 ( 3570 PWs) bands (ev): -5.7051 -5.7051 -5.2755 -5.2755 6.9570 6.9570 7.9766 7.9766 10.6850 10.6850 10.8700 10.8700 11.7654 11.7654 11.8763 11.8763 18.4671 18.4671 18.6864 18.6864 18.8717 18.8717 19.2873 19.2873 25.7135 25.7135 k = 0.0000 0.0000 0.2725 ( 3570 PWs) bands (ev): -5.7711 -5.7711 -5.1991 -5.1991 6.7834 6.7834 8.1379 8.1379 10.6572 10.6572 10.9018 10.9018 11.7532 11.7532 11.8974 11.8974 18.4430 18.4430 18.7350 18.7350 18.8226 18.8226 19.3765 19.3765 25.6122 25.6122 k = 0.0000 0.0000 0.2631 ( 3566 PWs) bands (ev): -5.8354 -5.8354 -5.1217 -5.1217 6.6100 6.6100 8.2949 8.2949 10.6307 10.6307 10.9330 10.9330 11.7445 11.7445 11.9185 11.9185 18.4224 18.4224 18.7787 18.7787 18.7876 18.7876 19.4713 19.4713 25.4961 25.4961 k = 0.0000 0.0000 0.2537 ( 3566 PWs) bands (ev): -5.8978 -5.8978 -5.0433 -5.0433 6.4371 6.4371 8.4472 8.4472 10.6057 10.6057 10.9628 10.9628 11.7401 11.7401 11.9395 11.9395 18.4052 18.4052 18.7416 18.7416 18.8423 18.8423 19.5714 19.5714 25.3682 25.3682 k = 0.0000 0.0000 0.2443 ( 3566 PWs) bands (ev): -5.9583 -5.9583 -4.9642 -4.9642 6.2652 6.2652 8.5938 8.5938 10.5823 10.5823 10.9907 10.9907 11.7411 11.7411 11.9602 11.9602 18.3916 18.3916 18.7097 18.7097 18.9006 18.9006 19.6769 19.6769 25.2313 25.2313 k = 0.0000 0.0000 0.2349 ( 3566 PWs) bands (ev): -6.0169 -6.0169 -4.8843 -4.8843 6.0947 6.0947 8.7340 8.7340 10.5608 10.5608 11.0158 11.0158 11.7486 11.7486 11.9805 11.9805 18.3814 18.3814 18.6833 18.6833 18.9619 18.9619 19.7875 19.7875 25.0877 25.0877 k = 0.0000 0.0000 0.2255 ( 3570 PWs) bands (ev): -6.0735 -6.0735 -4.8039 -4.8039 5.9260 5.9260 8.8670 8.8670 10.5413 10.5413 11.0374 11.0374 11.7637 11.7637 12.0004 12.0004 18.3744 18.3744 18.6624 18.6624 19.0262 19.0262 19.9030 19.9030 24.9396 24.9396 k = 0.0000 0.0000 0.2161 ( 3574 PWs) bands (ev): -6.1281 -6.1281 -4.7233 -4.7233 5.7593 5.7593 8.9921 8.9921 10.5241 10.5241 11.0547 11.0547 11.7873 11.7873 12.0198 12.0198 18.3707 18.3707 18.6468 18.6468 19.0932 19.0932 20.0232 20.0232 24.7888 24.7888 k = 0.0000 0.0000 0.2067 ( 3574 PWs) bands (ev): -6.1806 -6.1806 -4.6424 -4.6424 5.5952 5.5952 9.1085 9.1085 10.5094 10.5094 11.0674 11.0674 11.8198 11.8198 12.0387 12.0387 18.3701 18.3701 18.6365 18.6365 19.1629 19.1629 20.1479 20.1479 24.6371 24.6371 k = 0.0000 0.0000 0.1973 ( 3582 PWs) bands (ev): -6.2309 -6.2309 -4.5617 -4.5617 5.4339 5.4339 9.2155 9.2155 10.4974 10.4974 11.0754 11.0754 11.8614 11.8614 12.0572 12.0572 18.3725 18.3725 18.6312 18.6312 19.2351 19.2351 20.2766 20.2766 24.4859 24.4859 k = 0.0000 0.0000 0.1879 ( 3574 PWs) bands (ev): -6.2791 -6.2791 -4.4813 -4.4813 5.2758 5.2758 9.3126 9.3126 10.4885 10.4885 11.0788 11.0788 11.9113 11.9113 12.0757 12.0757 18.3776 18.3776 18.6308 18.6308 19.3096 19.3096 20.4088 20.4088 24.3367 24.3367 k = 0.0000 0.0000 0.1785 ( 3574 PWs) bands (ev): -6.3252 -6.3252 -4.4013 -4.4013 5.1214 5.1214 9.3994 9.3994 10.4828 10.4828 11.0783 11.0783 11.9678 11.9678 12.0952 12.0952 18.3854 18.3854 18.6351 18.6351 19.3862 19.3862 20.5440 20.5440 24.1908 24.1908 k = 0.0000 0.0000 0.1691 ( 3578 PWs) bands (ev): -6.3690 -6.3690 -4.3222 -4.3222 4.9709 4.9709 9.4757 9.4757 10.4805 10.4805 11.0744 11.0744 12.0267 12.0267 12.1191 12.1191 18.3956 18.3956 18.6437 18.6437 19.4647 19.4647 20.6814 20.6814 24.0500 24.0500 k = 0.0000 0.0000 0.1597 ( 3578 PWs) bands (ev): -6.4106 -6.4106 -4.2442 -4.2442 4.8248 4.8248 9.5416 9.5416 10.4816 10.4816 11.0677 11.0677 12.0762 12.0762 12.1577 12.1577 18.4080 18.4080 18.6565 18.6565 19.5448 19.5448 20.8200 20.8200 23.9159 23.9159 k = 0.0000 0.0000 0.1503 ( 3586 PWs) bands (ev): -6.4499 -6.4499 -4.1676 -4.1676 4.6835 4.6835 9.5974 9.5974 10.4860 10.4860 11.0590 11.0590 12.1061 12.1061 12.2202 12.2202 18.4223 18.4223 18.6729 18.6729 19.6261 19.6261 20.9583 20.9583 23.7903 23.7903 k = 0.0000 0.0000 0.1410 ( 3598 PWs) bands (ev): -6.4870 -6.4870 -4.0927 -4.0927 4.5474 4.5474 9.6438 9.6438 10.4936 10.4936 11.0487 11.0487 12.1246 12.1246 12.2969 12.2969 18.4384 18.4384 18.6928 18.6928 19.7085 19.7085 21.0947 21.0947 23.6754 23.6754 k = 0.0000 0.0000 0.1316 ( 3594 PWs) bands (ev): -6.5217 -6.5217 -4.0198 -4.0198 4.4170 4.4170 9.6815 9.6815 10.5039 10.5039 11.0374 11.0374 12.1387 12.1387 12.3795 12.3795 18.4559 18.4559 18.7156 18.7156 19.7914 19.7914 21.2268 21.2268 23.5742 23.5742 k = 0.0000 0.0000 0.1222 ( 3594 PWs) bands (ev): -6.5542 -6.5542 -3.9494 -3.9494 4.2927 4.2927 9.7116 9.7116 10.5163 10.5163 11.0253 11.0253 12.1505 12.1505 12.4647 12.4647 18.4744 18.4744 18.7409 18.7409 19.8745 19.8745 21.3514 21.3514 23.4897 23.4897 k = 0.0000 0.0000 0.1128 ( 3594 PWs) bands (ev): -6.5843 -6.5843 -3.8818 -3.8818 4.1749 4.1749 9.7351 9.7351 10.5303 10.5303 11.0129 11.0129 12.1608 12.1608 12.5502 12.5502 18.4938 18.4938 18.7682 18.7682 19.9572 19.9572 21.4649 21.4649 23.4249 23.4249 k = 0.0000 0.0000 0.1034 ( 3594 PWs) bands (ev): -6.6120 -6.6120 -3.8175 -3.8175 4.0642 4.0642 9.7531 9.7531 10.5454 10.5454 11.0003 11.0003 12.1698 12.1698 12.6346 12.6346 18.5136 18.5136 18.7970 18.7970 20.0389 20.0389 21.5629 21.5629 23.3804 23.3804 k = 0.0000 0.0000 0.0940 ( 3602 PWs) bands (ev): -6.6374 -6.6374 -3.7568 -3.7568 3.9609 3.9609 9.7666 9.7666 10.5608 10.5608 10.9879 10.9879 12.1778 12.1778 12.7165 12.7165 18.5335 18.5335 18.8266 18.8266 20.1189 20.1189 21.6414 21.6414 23.3427 23.3427 k = 0.0000 0.0000 0.0846 ( 3606 PWs) bands (ev): -6.6604 -6.6604 -3.7001 -3.7001 3.8656 3.8656 9.7766 9.7766 10.5763 10.5763 10.9759 10.9759 12.1849 12.1849 12.7946 12.7946 18.5531 18.5531 18.8564 18.8564 20.1964 20.1964 21.6978 21.6978 23.2781 23.2781 k = 0.0000 0.0000 0.0752 ( 3614 PWs) bands (ev): -6.6810 -6.6810 -3.6480 -3.6480 3.7788 3.7788 9.7837 9.7837 10.5912 10.5912 10.9643 10.9643 12.1911 12.1911 12.8679 12.8679 18.5720 18.5720 18.8857 18.8857 20.2706 20.2706 21.7323 21.7323 23.1963 23.1963 k = 0.0000 0.0000 0.0658 ( 3606 PWs) bands (ev): -6.6992 -6.6992 -3.6008 -3.6008 3.7009 3.7009 9.7888 9.7888 10.6053 10.6053 10.9534 10.9534 12.1964 12.1964 12.9352 12.9352 18.5899 18.5899 18.9139 18.9139 20.3404 20.3404 21.7477 21.7477 23.1160 23.1160 k = 0.0000 0.0000 0.0564 ( 3606 PWs) bands (ev): -6.7150 -6.7150 -3.5588 -3.5588 3.6323 3.6323 9.7923 9.7923 10.6182 10.6182 10.9434 10.9434 12.2010 12.2010 12.9955 12.9955 18.6063 18.6063 18.9402 18.9402 20.4046 20.4046 21.7488 21.7488 23.0428 23.0428 k = 0.0000 0.0000 0.0470 ( 3606 PWs) bands (ev): -6.7283 -6.7283 -3.5227 -3.5227 3.5735 3.5735 9.7945 9.7945 10.6298 10.6298 10.9344 10.9344 12.2047 12.2047 13.0481 13.0481 18.6209 18.6209 18.9639 18.9639 20.4620 20.4620 21.7407 21.7407 22.9788 22.9788 k = 0.0000 0.0000 0.0376 ( 3614 PWs) bands (ev): -6.7393 -6.7393 -3.4925 -3.4925 3.5248 3.5248 9.7960 9.7960 10.6396 10.6396 10.9267 10.9267 12.2078 12.2078 13.0923 13.0923 18.6333 18.6333 18.9844 18.9844 20.5113 20.5113 21.7281 21.7281 22.9251 22.9251 k = 0.0000 0.0000 0.0282 ( 3607 PWs) bands (ev): -6.7478 -6.7478 -3.4687 -3.4687 3.4866 3.4866 9.7969 9.7969 10.6476 10.6476 10.9204 10.9204 12.2102 12.2102 13.1272 13.1272 18.6434 18.6434 19.0010 19.0010 20.5513 20.5513 21.7148 21.7148 22.8825 22.8825 k = 0.0000 0.0000 0.0188 ( 3607 PWs) bands (ev): -6.7539 -6.7539 -3.4516 -3.4516 3.4591 3.4591 9.7974 9.7974 10.6535 10.6535 10.9158 10.9158 12.2118 12.2118 13.1526 13.1526 18.6507 18.6507 19.0133 19.0133 20.5808 20.5808 21.7034 21.7034 22.8517 22.8517 k = 0.0000 0.0000 0.0094 ( 3615 PWs) bands (ev): -6.7575 -6.7575 -3.4412 -3.4412 3.4425 3.4425 9.7976 9.7976 10.6571 10.6571 10.9129 10.9129 12.2128 12.2128 13.1680 13.1680 18.6552 18.6552 19.0209 19.0209 20.5989 20.5989 21.6959 21.6959 22.8329 22.8329 k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -6.7588 -6.7588 -3.4377 -3.4377 3.4369 3.4369 9.7977 9.7977 10.6583 10.6583 10.9119 10.9119 12.2132 12.2132 13.1731 13.1731 18.6567 18.6567 19.0234 19.0234 20.6050 20.6050 21.6933 21.6933 22.8267 22.8267 k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -6.7588 -6.7588 -3.4377 -3.4377 3.4369 3.4369 9.7977 9.7977 10.6583 10.6583 10.9119 10.9119 12.2132 12.2132 13.1731 13.1731 18.6567 18.6567 19.0234 19.0234 20.6050 20.6050 21.6933 21.6933 22.8267 22.8267 k =-0.0068 0.0068 0.0000 ( 3611 PWs) bands (ev): -6.7576 -6.7576 -3.4370 -3.4370 3.4381 3.4381 9.7922 9.7922 10.6410 10.6410 10.9224 10.9224 12.2118 12.2118 13.1717 13.1717 18.6608 18.6608 19.0251 19.0251 20.6140 20.6140 21.7008 21.7008 22.7926 22.7926 k =-0.0135 0.0135 0.0000 ( 3607 PWs) bands (ev): -6.7543 -6.7543 -3.4349 -3.4349 3.4416 3.4416 9.7756 9.7756 10.5960 10.5960 10.9471 10.9471 12.2075 12.2075 13.1675 13.1675 18.6734 18.6734 19.0305 19.0305 20.6409 20.6409 21.7231 21.7231 22.7024 22.7024 k =-0.0203 0.0203 0.0000 ( 3603 PWs) bands (ev): -6.7487 -6.7487 -3.4314 -3.4314 3.4474 3.4474 9.7482 9.7482 10.5336 10.5336 10.9758 10.9758 12.2001 12.2001 13.1603 13.1603 18.6944 18.6944 19.0401 19.0401 20.6848 20.6848 21.7599 21.7599 22.5782 22.5782 k =-0.0270 0.0270 0.0000 ( 3603 PWs) bands (ev): -6.7408 -6.7408 -3.4265 -3.4265 3.4555 3.4555 9.7105 9.7105 10.4603 10.4603 11.0024 11.0024 12.1893 12.1893 13.1502 13.1502 18.7241 18.7241 19.0547 19.0547 20.7450 20.7450 21.8106 21.8106 22.4359 22.4359 k =-0.0338 0.0338 0.0000 ( 3591 PWs) bands (ev): -6.7307 -6.7307 -3.4202 -3.4202 3.4659 3.4659 9.6630 9.6630 10.3793 10.3793 11.0239 11.0239 12.1747 12.1747 13.1371 13.1371 18.7628 18.7628 19.0753 19.0753 20.8201 20.8201 21.8742 21.8742 22.2847 22.2847 k =-0.0405 0.0405 0.0000 ( 3587 PWs) bands (ev): -6.7184 -6.7184 -3.4125 -3.4125 3.4786 3.4786 9.6065 9.6065 10.2923 10.2923 11.0391 11.0391 12.1558 12.1558 13.1207 13.1207 18.8107 18.8107 19.1030 19.1030 20.9089 20.9089 21.9477 21.9477 22.1312 22.1312 k =-0.0473 0.0473 0.0000 ( 3589 PWs) bands (ev): -6.7039 -6.7039 -3.4034 -3.4034 3.4937 3.4937 9.5416 9.5416 10.2005 10.2005 11.0471 11.0471 12.1322 12.1322 13.1011 13.1011 18.8681 18.8681 19.1386 19.1386 21.0098 21.0098 21.9529 21.9529 22.0555 22.0555 k =-0.0541 0.0541 0.0000 ( 3585 PWs) bands (ev): -6.6872 -6.6872 -3.3930 -3.3930 3.5110 3.5110 9.4691 9.4691 10.1050 10.1050 11.0478 11.0478 12.1035 12.1035 13.0780 13.0780 18.9352 18.9352 19.1830 19.1830 21.1214 21.1214 21.8028 21.8028 22.1454 22.1454 k =-0.0608 0.0608 0.0000 ( 3585 PWs) bands (ev): -6.6682 -6.6682 -3.3812 -3.3812 3.5305 3.5305 9.3897 9.3897 10.0063 10.0063 11.0410 11.0410 12.0695 12.0695 13.0515 13.0515 19.0121 19.0121 19.2369 19.2369 21.2413 21.2413 21.6467 21.6467 22.2522 22.2522 k =-0.0676 0.0676 0.0000 ( 3589 PWs) bands (ev): -6.6471 -6.6471 -3.3682 -3.3682 3.5523 3.5523 9.3043 9.3043 9.9051 9.9051 11.0266 11.0266 12.0298 12.0298 13.0216 13.0216 19.0989 19.0989 19.3008 19.3008 21.3572 21.3572 21.5031 21.5031 22.3674 22.3674 k =-0.0743 0.0743 0.0000 ( 3593 PWs) bands (ev): -6.6237 -6.6237 -3.3538 -3.3538 3.5764 3.5764 9.2136 9.2136 9.8020 9.8020 11.0050 11.0050 11.9845 11.9845 12.9883 12.9883 19.1955 19.1955 19.3749 19.3749 21.3090 21.3090 21.5323 21.5323 22.4885 22.4885 k =-0.0811 0.0811 0.0000 ( 3593 PWs) bands (ev): -6.5982 -6.5982 -3.3381 -3.3381 3.6027 3.6027 9.1182 9.1182 9.6974 9.6974 10.9761 10.9761 11.9335 11.9335 12.9515 12.9515 19.3017 19.3017 19.4596 19.4596 21.1598 21.1598 21.6706 21.6706 22.6132 22.6132 k =-0.0878 0.0878 0.0000 ( 3589 PWs) bands (ev): -6.5706 -6.5706 -3.3212 -3.3212 3.6311 3.6311 9.0188 9.0188 9.5919 9.5919 10.9404 10.9404 11.8769 11.8769 12.9116 12.9116 19.4172 19.4172 19.5548 19.5548 21.0065 21.0065 21.8204 21.8204 22.7383 22.7383 k =-0.0946 0.0946 0.0000 ( 3585 PWs) bands (ev): -6.5408 -6.5408 -3.3031 -3.3031 3.6618 3.6618 8.9159 8.9159 9.4857 9.4857 10.8980 10.8980 11.8150 11.8150 12.8685 12.8685 19.5413 19.5413 19.6607 19.6607 20.8539 20.8539 21.9761 21.9761 22.8600 22.8600 k =-0.1014 0.1014 0.0000 ( 3577 PWs) bands (ev): -6.5089 -6.5089 -3.2838 -3.2838 3.6946 3.6946 8.8102 8.8102 9.3792 9.3792 10.8492 10.8492 11.7479 11.7479 12.8226 12.8226 19.6733 19.6733 19.7773 19.7773 20.7029 20.7029 22.1362 22.1362 22.9729 22.9729 k =-0.1081 0.1081 0.0000 ( 3577 PWs) bands (ev): -6.4748 -6.4748 -3.2633 -3.2633 3.7295 3.7295 8.7021 8.7021 9.2728 9.2728 10.7944 10.7944 11.6761 11.6761 12.7739 12.7739 19.8121 19.8121 19.9050 19.9050 20.5538 20.5538 22.2991 22.2991 23.0697 23.0697 k =-0.1149 0.1149 0.0000 ( 3573 PWs) bands (ev): -6.4387 -6.4387 -3.2417 -3.2417 3.7665 3.7665 8.5921 8.5921 9.1668 9.1668 10.7339 10.7339 11.5999 11.5999 12.7228 12.7228 19.9561 19.9561 20.0440 20.0440 20.4070 20.4070 22.4636 22.4636 23.1422 23.1422 k =-0.1216 0.1216 0.0000 ( 3575 PWs) bands (ev): -6.4005 -6.4005 -3.2190 -3.2190 3.8055 3.8055 8.4806 8.4806 9.0615 9.0615 10.6680 10.6680 11.5198 11.5198 12.6694 12.6694 20.1031 20.1031 20.1946 20.1946 20.2635 20.2635 22.6276 22.6276 23.1852 23.1852 k =-0.1284 0.1284 0.0000 ( 3579 PWs) bands (ev): -6.3603 -6.3603 -3.1952 -3.1952 3.8466 3.8466 8.3680 8.3680 8.9570 8.9570 10.5970 10.5970 11.4362 11.4362 12.6139 12.6139 20.1157 20.1157 20.2600 20.2600 20.3562 20.3562 22.7875 22.7875 23.2011 23.2011 k =-0.1351 0.1351 0.0000 ( 3587 PWs) bands (ev): -6.3181 -6.3181 -3.1704 -3.1704 3.8897 3.8897 8.2546 8.2546 8.8537 8.8537 10.5211 10.5211 11.3496 11.3496 12.5567 12.5567 19.9770 19.9770 20.4134 20.4134 20.5278 20.5278 22.9334 22.9334 23.1915 23.1915 k =-0.1419 0.1419 0.0000 ( 3587 PWs) bands (ev): -6.2739 -6.2739 -3.1447 -3.1447 3.9347 3.9347 8.1408 8.1408 8.7517 8.7517 10.4409 10.4409 11.2603 11.2603 12.4979 12.4979 19.8393 19.8393 20.5712 20.5712 20.7079 20.7079 23.0179 23.0179 23.1804 23.1804 k =-0.1486 0.1486 0.0000 ( 3583 PWs) bands (ev): -6.2277 -6.2277 -3.1180 -3.1180 3.9815 3.9815 8.0269 8.0269 8.6512 8.6512 10.3564 10.3564 11.1688 11.1688 12.4378 12.4378 19.7038 19.7038 20.7316 20.7316 20.8956 20.8956 22.9613 22.9613 23.2247 23.2247 k =-0.1554 0.1554 0.0000 ( 3577 PWs) bands (ev): -6.1796 -6.1796 -3.0905 -3.0905 4.0302 4.0302 7.9131 7.9131 8.5524 8.5524 10.2681 10.2681 11.0756 11.0756 12.3765 12.3765 19.5707 19.5707 20.8935 20.8935 21.0900 21.0900 22.8330 22.8330 23.2637 23.2637 k =-0.1622 0.1622 0.0000 ( 3581 PWs) bands (ev): -6.1297 -6.1297 -3.0621 -3.0621 4.0807 4.0807 7.7998 7.7998 8.4554 8.4554 10.1762 10.1762 10.9810 10.9810 12.3142 12.3142 19.4400 19.4400 21.0552 21.0552 21.2901 21.2901 22.6733 22.6733 23.2933 23.2933 k =-0.1689 0.1689 0.0000 ( 3587 PWs) bands (ev): -6.0778 -6.0778 -3.0330 -3.0330 4.1329 4.1329 7.6870 7.6870 8.3604 8.3604 10.0811 10.0811 10.8854 10.8854 12.2512 12.2512 19.3119 19.3119 21.2149 21.2149 21.4949 21.4949 22.4941 22.4941 23.3216 23.3216 k =-0.1757 0.1757 0.0000 ( 3583 PWs) bands (ev): -6.0242 -6.0242 -3.0031 -3.0031 4.1867 4.1867 7.5751 7.5751 8.2676 8.2676 9.9829 9.9829 10.7892 10.7892 12.1876 12.1876 19.1865 19.1865 21.3699 21.3699 21.7015 21.7015 22.3040 22.3040 23.3517 23.3517 k =-0.1824 0.1824 0.0000 ( 3583 PWs) bands (ev): -5.9688 -5.9688 -2.9726 -2.9726 4.2421 4.2421 7.4642 7.4642 8.1769 8.1769 9.8820 9.8820 10.6926 10.6926 12.1235 12.1235 19.0636 19.0636 21.5170 21.5170 21.8896 21.8896 22.1270 22.1270 23.3843 23.3843 k =-0.1892 0.1892 0.0000 ( 3583 PWs) bands (ev): -5.9116 -5.9116 -2.9414 -2.9414 4.2989 4.2989 7.3545 7.3545 8.0886 8.0886 9.7786 9.7786 10.5960 10.5960 12.0592 12.0592 18.9434 18.9434 21.6519 21.6519 21.8438 21.8438 22.1818 22.1818 23.4202 23.4202 k =-0.1959 0.1959 0.0000 ( 3571 PWs) bands (ev): -5.8528 -5.8528 -2.9098 -2.9098 4.3572 4.3572 7.2462 7.2462 8.0028 8.0028 9.6731 9.6731 10.4995 10.4995 11.9946 11.9946 18.8260 18.8260 21.6397 21.6397 21.7722 21.7722 22.3918 22.3918 23.4596 23.4596 k =-0.2027 0.2027 0.0000 ( 3571 PWs) bands (ev): -5.7923 -5.7923 -2.8776 -2.8776 4.4166 4.4166 7.1395 7.1395 7.9195 7.9195 9.5657 9.5657 10.4036 10.4036 11.9301 11.9301 18.7113 18.7113 21.4238 21.4238 21.8674 21.8674 22.6169 22.6169 23.5023 23.5023 k =-0.2095 0.2095 0.0000 ( 3567 PWs) bands (ev): -5.7303 -5.7303 -2.8450 -2.8450 4.4772 4.4772 7.0346 7.0346 7.8387 7.8387 9.4566 9.4566 10.3082 10.3082 11.8657 11.8657 18.5993 18.5993 21.2036 21.2036 21.9349 21.9349 22.8475 22.8475 23.5487 23.5487 k =-0.2162 0.2162 0.0000 ( 3571 PWs) bands (ev): -5.6667 -5.6667 -2.8121 -2.8121 4.5388 4.5388 6.9315 6.9315 7.7606 7.7606 9.3461 9.3461 10.2137 10.2137 11.8014 11.8014 18.4901 18.4901 20.9821 20.9821 21.9693 21.9693 23.0815 23.0815 23.5989 23.5989 k =-0.2230 0.2230 0.0000 ( 3571 PWs) bands (ev): -5.6017 -5.6017 -2.7788 -2.7788 4.6012 4.6012 6.8306 6.8306 7.6853 7.6853 9.2346 9.2346 10.1202 10.1202 11.7375 11.7375 18.3837 18.3837 20.7607 20.7607 21.9676 21.9676 23.3177 23.3177 23.6535 23.6535 k =-0.2297 0.2297 0.0000 ( 3575 PWs) bands (ev): -5.5353 -5.5353 -2.7453 -2.7453 4.6642 4.6642 6.7319 6.7319 7.6127 7.6127 9.1222 9.1222 10.0279 10.0279 11.6740 11.6740 18.2801 18.2801 20.5405 20.5405 21.9295 21.9295 23.5522 23.5522 23.7154 23.7154 k =-0.2365 0.2365 0.0000 ( 3579 PWs) bands (ev): -5.4675 -5.4675 -2.7117 -2.7117 4.7275 4.7275 6.6358 6.6358 7.5429 7.5429 9.0092 9.0092 9.9368 9.9368 11.6110 11.6110 18.1795 18.1795 20.3221 20.3221 21.8577 21.8577 23.7385 23.7385 23.8303 23.8303 k =-0.2432 0.2432 0.0000 ( 3583 PWs) bands (ev): -5.3985 -5.3985 -2.6780 -2.6780 4.7909 4.7909 6.5424 6.5424 7.4759 7.4759 8.8960 8.8960 9.8472 9.8472 11.5486 11.5486 18.0818 18.0818 20.1060 20.1060 21.7565 21.7565 23.8183 23.8183 24.0545 24.0545 k =-0.2500 0.2500 0.0000 ( 3583 PWs) bands (ev): -5.3283 -5.3283 -2.6443 -2.6443 4.8540 4.8540 6.4520 6.4520 7.4117 7.4117 8.7828 8.7828 9.7590 9.7590 11.4869 11.4869 17.9871 17.9871 19.8929 19.8929 21.6310 21.6310 23.8861 23.8861 24.2829 24.2829 k =-0.2568 0.2568 0.0000 ( 3583 PWs) bands (ev): -5.2570 -5.2570 -2.6106 -2.6106 4.9164 4.9164 6.3650 6.3650 7.3503 7.3503 8.6698 8.6698 9.6725 9.6725 11.4260 11.4260 17.8953 17.8953 19.6830 19.6830 21.4861 21.4861 23.9541 23.9541 24.2393 24.2393 k =-0.2635 0.2635 0.0000 ( 3585 PWs) bands (ev): -5.1847 -5.1847 -2.5770 -2.5770 4.9775 4.9775 6.2819 6.2819 7.2917 7.2917 8.5575 8.5575 9.5876 9.5876 11.3659 11.3659 17.8066 17.8066 19.4768 19.4768 21.3263 21.3263 23.9893 23.9893 24.0383 24.0383 k =-0.2703 0.2703 0.0000 ( 3597 PWs) bands (ev): -5.1115 -5.1115 -2.5437 -2.5437 5.0364 5.0364 6.2033 6.2033 7.2359 7.2359 8.4461 8.4461 9.5046 9.5046 11.3068 11.3068 17.7209 17.7209 19.2744 19.2744 21.1552 21.1552 23.7585 23.7585 24.1005 24.1005 k =-0.2770 0.2770 0.0000 ( 3598 PWs) bands (ev): -5.0375 -5.0375 -2.5105 -2.5105 5.0921 5.0921 6.1301 6.1301 7.1828 7.1828 8.3360 8.3360 9.4234 9.4234 11.2486 11.2486 17.6383 17.6383 19.0762 19.0762 20.9759 20.9759 23.5193 23.5193 24.1749 24.1749 k =-0.2838 0.2838 0.0000 ( 3598 PWs) bands (ev): -4.9627 -4.9627 -2.4777 -2.4777 5.1432 5.1432 6.0635 6.0635 7.1323 7.1323 8.2276 8.2276 9.3441 9.3441 11.1916 11.1916 17.5588 17.5588 18.8823 18.8823 20.7909 20.7909 23.2819 23.2819 24.2519 24.2519 k =-0.2905 0.2905 0.0000 ( 3600 PWs) bands (ev): -4.8874 -4.8874 -2.4453 -2.4453 5.1879 5.1879 6.0051 6.0051 7.0843 7.0843 8.1214 8.1214 9.2669 9.2669 11.1356 11.1356 17.4826 17.4826 18.6931 18.6931 20.6020 20.6020 23.0470 23.0470 24.3312 24.3312 k =-0.2973 0.2973 0.0000 ( 3602 PWs) bands (ev): -4.8116 -4.8116 -2.4134 -2.4134 5.2236 5.2236 5.9569 5.9569 7.0388 7.0388 8.0178 8.0178 9.1917 9.1917 11.0809 11.0809 17.4095 17.4095 18.5088 18.5088 20.4110 20.4110 22.8151 22.8151 24.4122 24.4122 k =-0.3041 0.3041 0.0000 ( 3606 PWs) bands (ev): -4.7354 -4.7354 -2.3819 -2.3819 5.2478 5.2478 5.9213 5.9213 6.9956 6.9956 7.9173 7.9173 9.1187 9.1187 11.0274 11.0274 17.3396 17.3396 18.3293 18.3293 20.2190 20.2190 22.5863 22.5863 24.4952 24.4952 k =-0.3108 0.3108 0.0000 ( 3602 PWs) bands (ev): -4.6589 -4.6589 -2.3511 -2.3511 5.2580 5.2580 5.8999 5.8999 6.9548 6.9548 7.8207 7.8207 9.0478 9.0478 10.9752 10.9752 17.2731 17.2731 18.1550 18.1550 20.0273 20.0273 22.3609 22.3609 24.5798 24.5798 k =-0.3176 0.3176 0.0000 ( 3600 PWs) bands (ev): -4.5824 -4.5824 -2.3209 -2.3209 5.2536 5.2536 5.8929 5.8929 6.9163 6.9163 7.7285 7.7285 8.9792 8.9792 10.9243 10.9243 17.2098 17.2098 17.9859 17.9859 19.8366 19.8366 22.1389 22.1389 24.6658 24.6658 k =-0.3243 0.3243 0.0000 ( 3608 PWs) bands (ev): -4.5060 -4.5060 -2.2914 -2.2914 5.2357 5.2357 5.8981 5.8981 6.8802 6.8802 7.6416 7.6416 8.9129 8.9129 10.8749 10.8749 17.1500 17.1500 17.8222 17.8222 19.6478 19.6478 21.9207 21.9207 24.7530 24.7530 k =-0.3311 0.3311 0.0000 ( 3608 PWs) bands (ev): -4.4298 -4.4298 -2.2626 -2.2626 5.2072 5.2072 5.9117 5.9117 6.8468 6.8468 7.5605 7.5605 8.8490 8.8490 10.8269 10.8269 17.0935 17.0935 17.6640 17.6640 19.4615 19.4615 21.7064 21.7064 24.8414 24.8414 k =-0.3378 0.3378 0.0000 ( 3608 PWs) bands (ev): -4.3539 -4.3539 -2.2347 -2.2347 5.1712 5.1712 5.9292 5.9292 6.8168 6.8168 7.4862 7.4862 8.7876 8.7876 10.7805 10.7805 17.0404 17.0404 17.5114 17.5114 19.2784 19.2784 21.4963 21.4963 24.9305 24.9305 k =-0.3446 0.3446 0.0000 ( 3610 PWs) bands (ev): -4.2786 -4.2786 -2.2076 -2.2076 5.1305 5.1305 5.9461 5.9461 6.7910 6.7910 7.4191 7.4191 8.7287 8.7287 10.7356 10.7356 16.9908 16.9908 17.3645 17.3645 19.0990 19.0990 21.2905 21.2905 25.0203 25.0203 k =-0.3514 0.3514 0.0000 ( 3612 PWs) bands (ev): -4.2041 -4.2041 -2.1814 -2.1814 5.0873 5.0873 5.9585 5.9585 6.7706 6.7706 7.3598 7.3598 8.6723 8.6723 10.6923 10.6923 16.9446 16.9446 17.2234 17.2234 18.9237 18.9237 21.0893 21.0893 25.1104 25.1104 k =-0.3581 0.3581 0.0000 ( 3608 PWs) bands (ev): -4.1305 -4.1305 -2.1561 -2.1561 5.0429 5.0429 5.9632 5.9632 6.7570 6.7570 7.3084 7.3084 8.6186 8.6186 10.6506 10.6506 16.9018 16.9018 17.0884 17.0884 18.7530 18.7530 20.8929 20.8929 25.2007 25.2007 k =-0.3649 0.3649 0.0000 ( 3606 PWs) bands (ev): -4.0580 -4.0580 -2.1318 -2.1318 4.9986 4.9986 5.9581 5.9581 6.7513 6.7513 7.2649 7.2649 8.5676 8.5676 10.6106 10.6106 16.8621 16.8621 16.9598 16.9598 18.5874 18.5874 20.7015 20.7015 25.2908 25.2908 k =-0.3716 0.3716 0.0000 ( 3600 PWs) bands (ev): -3.9869 -3.9869 -2.1086 -2.1086 4.9549 4.9549 5.9420 5.9420 6.7539 6.7539 7.2290 7.2290 8.5194 8.5194 10.5724 10.5724 16.8189 16.8189 16.8442 16.8442 18.4272 18.4272 20.5154 20.5154 25.3805 25.3805 k =-0.3784 0.3784 0.0000 ( 3604 PWs) bands (ev): -3.9173 -3.9173 -2.0864 -2.0864 4.9125 4.9125 5.9153 5.9153 6.7643 6.7643 7.2002 7.2002 8.4740 8.4740 10.5358 10.5358 16.7156 16.7156 16.7984 16.7984 18.2727 18.2727 20.3348 20.3348 25.4693 25.4693 k =-0.3851 0.3851 0.0000 ( 3608 PWs) bands (ev): -3.8496 -3.8496 -2.0653 -2.0653 4.8717 4.8717 5.8794 5.8794 6.7812 6.7812 7.1779 7.1779 8.4316 8.4316 10.5010 10.5010 16.6053 16.6053 16.7693 16.7693 18.1243 18.1243 20.1600 20.1600 25.5569 25.5569 k =-0.3919 0.3919 0.0000 ( 3604 PWs) bands (ev): -3.7838 -3.7838 -2.0453 -2.0453 4.8328 4.8328 5.8360 5.8360 6.8030 6.8030 7.1614 7.1614 8.3923 8.3923 10.4681 10.4681 16.5006 16.5006 16.7443 16.7443 17.9823 17.9823 19.9912 19.9912 25.6431 25.6431 k =-0.3986 0.3986 0.0000 ( 3604 PWs) bands (ev): -3.7204 -3.7204 -2.0264 -2.0264 4.7959 4.7959 5.7874 5.7874 6.8279 6.8279 7.1500 7.1500 8.3560 8.3560 10.4370 10.4370 16.4019 16.4019 16.7230 16.7230 17.8471 17.8471 19.8289 19.8289 25.7273 25.7273 k =-0.4054 0.4054 0.0000 ( 3600 PWs) bands (ev): -3.6594 -3.6594 -2.0087 -2.0087 4.7613 4.7613 5.7353 5.7353 6.8544 6.8544 7.1430 7.1430 8.3228 8.3228 10.4077 10.4077 16.3093 16.3093 16.7053 16.7053 17.7190 17.7190 19.6733 19.6733 25.8093 25.8093 k =-0.4122 0.4122 0.0000 ( 3596 PWs) bands (ev): -3.6012 -3.6012 -1.9921 -1.9921 4.7290 4.7290 5.6814 5.6814 6.8812 6.8812 7.1396 7.1396 8.2929 8.2929 10.3804 10.3804 16.2231 16.2231 16.6909 16.6909 17.5982 17.5982 19.5248 19.5248 25.8887 25.8887 k =-0.4189 0.4189 0.0000 ( 3592 PWs) bands (ev): -3.5461 -3.5461 -1.9768 -1.9768 4.6992 4.6992 5.6272 5.6272 6.9074 6.9074 7.1391 7.1391 8.2661 8.2661 10.3549 10.3549 16.1431 16.1431 16.6797 16.6797 17.4851 17.4851 19.3839 19.3839 25.9648 25.9648 k =-0.4257 0.4257 0.0000 ( 3600 PWs) bands (ev): -3.4941 -3.4941 -1.9626 -1.9626 4.6718 4.6718 5.5738 5.5738 6.9324 6.9324 7.1409 7.1409 8.2426 8.2426 10.3314 10.3314 16.0694 16.0694 16.6717 16.6717 17.3799 17.3799 19.2508 19.2508 26.0372 26.0372 k =-0.4324 0.4324 0.0000 ( 3610 PWs) bands (ev): -3.4457 -3.4457 -1.9496 -1.9496 4.6469 4.6469 5.5222 5.5222 6.9559 6.9559 7.1440 7.1440 8.2221 8.2221 10.3099 10.3099 16.0020 16.0020 16.6664 16.6664 17.2829 17.2829 19.1261 19.1261 26.1056 26.1056 k =-0.4392 0.4392 0.0000 ( 3614 PWs) bands (ev): -3.4011 -3.4011 -1.9379 -1.9379 4.6246 4.6246 5.4732 5.4732 6.9777 6.9777 7.1479 7.1479 8.2048 8.2048 10.2903 10.2903 15.9410 15.9410 16.6638 16.6638 17.1943 17.1943 19.0104 19.0104 26.1694 26.1694 k =-0.4459 0.4459 0.0000 ( 3614 PWs) bands (ev): -3.3604 -3.3604 -1.9273 -1.9273 4.6048 4.6048 5.4275 5.4275 6.9980 6.9980 7.1516 7.1516 8.1902 8.1902 10.2728 10.2728 15.8865 15.8865 16.6634 16.6634 17.1143 17.1143 18.9042 18.9042 26.2281 26.2281 k =-0.4527 0.4527 0.0000 ( 3618 PWs) bands (ev): -3.3239 -3.3239 -1.9181 -1.9181 4.5874 4.5874 5.3858 5.3858 7.0166 7.0166 7.1548 7.1548 8.1784 8.1784 10.2573 10.2573 15.8383 15.8383 16.6648 16.6648 17.0433 17.0433 18.8082 18.8082 26.2813 26.2813 k =-0.4595 0.4595 0.0000 ( 3626 PWs) bands (ev): -3.2919 -3.2919 -1.9100 -1.9100 4.5726 4.5726 5.3485 5.3485 7.0339 7.0339 7.1568 7.1568 8.1689 8.1689 10.2438 10.2438 15.7965 15.7965 16.6676 16.6676 16.9813 16.9813 18.7229 18.7229 26.3283 26.3283 k =-0.4662 0.4662 0.0000 ( 3618 PWs) bands (ev): -3.2644 -3.2644 -1.9032 -1.9032 4.5601 4.5601 5.3162 5.3162 7.0496 7.0496 7.1576 7.1576 8.1616 8.1616 10.2323 10.2323 15.7611 15.7611 16.6712 16.6712 16.9285 16.9285 18.6491 18.6491 26.3692 26.3692 k =-0.4730 0.4730 0.0000 ( 3616 PWs) bands (ev): -3.2417 -3.2417 -1.8976 -1.8976 4.5501 4.5501 5.2892 5.2892 7.0639 7.0639 7.1569 7.1569 8.1561 8.1561 10.2229 10.2229 15.7321 15.7321 16.6752 16.6752 16.8852 16.8852 18.5875 18.5875 26.4032 26.4032 k =-0.4797 0.4797 0.0000 ( 3616 PWs) bands (ev): -3.2239 -3.2239 -1.8932 -1.8932 4.5423 4.5423 5.2678 5.2678 7.0764 7.0764 7.1551 7.1551 8.1522 8.1522 10.2156 10.2156 15.7096 15.7096 16.6790 16.6790 16.8514 16.8514 18.5388 18.5388 26.4299 26.4299 k =-0.4865 0.4865 0.0000 ( 3608 PWs) bands (ev): -3.2111 -3.2111 -1.8901 -1.8901 4.5368 4.5368 5.2524 5.2524 7.0865 7.0865 7.1525 7.1525 8.1496 8.1496 10.2104 10.2104 15.6935 15.6935 16.6821 16.6821 16.8272 16.8272 18.5035 18.5035 26.4492 26.4492 k =-0.4932 0.4932 0.0000 ( 3608 PWs) bands (ev): -3.2034 -3.2034 -1.8883 -1.8883 4.5335 4.5335 5.2430 5.2430 7.0935 7.0935 7.1501 7.1501 8.1481 8.1481 10.2073 10.2073 15.6839 15.6839 16.6841 16.6841 16.8126 16.8126 18.4821 18.4821 26.4609 26.4609 k =-0.5000 0.5000 0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k =-0.5000 0.5000 0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k =-0.5000 0.5000 0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k =-0.5000 0.5000 0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k =-0.5000 0.5000 0.0094 ( 3604 PWs) bands (ev): -3.2001 -3.2001 -1.8883 -1.8883 4.5334 4.5334 5.2393 5.2393 7.0207 7.0207 7.2234 7.2234 8.1475 8.1475 10.2055 10.2055 15.6852 15.6852 16.6904 16.6904 16.7989 16.7989 18.4888 18.4888 26.4221 26.4221 k =-0.5000 0.5000 0.0188 ( 3604 PWs) bands (ev): -3.1978 -3.1978 -1.8903 -1.8903 4.5365 4.5365 5.2373 5.2373 6.9244 6.9244 7.3165 7.3165 8.1475 8.1475 10.2032 10.2032 15.6987 15.6987 16.7071 16.7071 16.7733 16.7733 18.5297 18.5297 26.3038 26.3038 k =-0.5000 0.5000 0.0282 ( 3604 PWs) bands (ev): -3.1941 -3.1941 -1.8936 -1.8936 4.5417 4.5417 5.2340 5.2340 6.8279 6.8279 7.4059 7.4059 8.1493 8.1493 10.1995 10.1995 15.7211 15.7211 16.7249 16.7249 16.7437 16.7437 18.5949 18.5949 26.1313 26.1313 k =-0.5000 0.5000 0.0376 ( 3604 PWs) bands (ev): -3.1889 -3.1889 -1.8983 -1.8983 4.5489 4.5489 5.2295 5.2295 6.7327 6.7327 7.4874 7.4874 8.1556 8.1556 10.1945 10.1945 15.7522 15.7522 16.6793 16.6793 16.7776 16.7776 18.6812 18.6812 25.9238 25.9238 k =-0.5000 0.5000 0.0470 ( 3596 PWs) bands (ev): -3.1822 -3.1822 -1.9043 -1.9043 4.5581 4.5581 5.2237 5.2237 6.6396 6.6396 7.5560 7.5560 8.1708 8.1708 10.1882 10.1882 15.7918 15.7918 16.6207 16.6207 16.8281 16.8281 18.7851 18.7851 25.6951 25.6951 k =-0.5000 0.5000 0.0564 ( 3584 PWs) bands (ev): -3.1740 -3.1740 -1.9116 -1.9116 4.5693 4.5693 5.2167 5.2167 6.5489 6.5489 7.6066 7.6066 8.1997 8.1997 10.1809 10.1809 15.8395 15.8395 16.5573 16.5573 16.8896 16.8896 18.9037 18.9037 25.4533 25.4533 k =-0.5000 0.5000 0.0658 ( 3584 PWs) bands (ev): -3.1644 -3.1644 -1.9203 -1.9203 4.5824 4.5824 5.2086 5.2086 6.4611 6.4611 7.6353 7.6353 8.2460 8.2460 10.1726 10.1726 15.8949 15.8949 16.4922 16.4922 16.9618 16.9618 19.0343 19.0343 25.2034 25.2034 k =-0.5000 0.5000 0.0752 ( 3584 PWs) bands (ev): -3.1534 -3.1534 -1.9302 -1.9302 4.5973 4.5973 5.1993 5.1993 6.3764 6.3764 7.6420 7.6420 8.3095 8.3095 10.1636 10.1636 15.9575 15.9575 16.4274 16.4274 17.0443 17.0443 19.1750 19.1750 24.9494 24.9494 k =-0.5000 0.5000 0.0846 ( 3592 PWs) bands (ev): -3.1410 -3.1410 -1.9415 -1.9415 4.6139 4.6139 5.1889 5.1889 6.2953 6.2953 7.6298 7.6298 8.3870 8.3870 10.1541 10.1541 16.0267 16.0267 16.3648 16.3648 17.1367 17.1367 19.3242 19.3242 24.6936 24.6936 k =-0.5000 0.5000 0.0940 ( 3592 PWs) bands (ev): -3.1272 -3.1272 -1.9540 -1.9540 4.6322 4.6322 5.1776 5.1776 6.2179 6.2179 7.6030 7.6030 8.4740 8.4740 10.1442 10.1442 16.1014 16.1014 16.3062 16.3062 17.2388 17.2388 19.4808 19.4808 24.4382 24.4382 k =-0.5000 0.5000 0.1034 ( 3608 PWs) bands (ev): -3.1121 -3.1121 -1.9679 -1.9679 4.6520 4.6520 5.1654 5.1654 6.1445 6.1445 7.5651 7.5651 8.5669 8.5669 10.1341 10.1341 16.1776 16.1776 16.2562 16.2562 17.3500 17.3500 19.6436 19.6436 24.1844 24.1844 k =-0.5000 0.5000 0.1128 ( 3616 PWs) bands (ev): -3.0956 -3.0956 -1.9830 -1.9830 4.6731 4.6731 5.1524 5.1524 6.0754 6.0754 7.5188 7.5188 8.6630 8.6630 10.1240 10.1240 16.1918 16.1918 16.2787 16.2787 17.4701 17.4701 19.8120 19.8120 23.9338 23.9338 k =-0.5000 0.5000 0.1222 ( 3616 PWs) bands (ev): -3.0778 -3.0778 -1.9994 -1.9994 4.6954 4.6954 5.1387 5.1387 6.0109 6.0109 7.4661 7.4661 8.7601 8.7601 10.1141 10.1141 16.1528 16.1528 16.3646 16.3646 17.5988 17.5988 19.9852 19.9852 23.6875 23.6875 k =-0.5000 0.5000 0.1316 ( 3616 PWs) bands (ev): -3.0588 -3.0588 -2.0170 -2.0170 4.7185 4.7185 5.1244 5.1244 5.9511 5.9511 7.4083 7.4083 8.8568 8.8568 10.1045 10.1045 16.1175 16.1175 16.4569 16.4569 17.7355 17.7355 20.1626 20.1626 23.4467 23.4467 k =-0.5000 0.5000 0.1410 ( 3616 PWs) bands (ev): -3.0386 -3.0386 -2.0358 -2.0358 4.7423 4.7423 5.1096 5.1096 5.8966 5.8966 7.3463 7.3463 8.9521 8.9521 10.0953 10.0953 16.0893 16.0893 16.5519 16.5519 17.8801 17.8801 20.3437 20.3437 23.2125 23.2125 k =-0.5000 0.5000 0.1503 ( 3616 PWs) bands (ev): -3.0172 -3.0172 -2.0558 -2.0558 4.7664 4.7664 5.0946 5.0946 5.8475 5.8475 7.2811 7.2811 9.0450 9.0450 10.0865 10.0865 16.0690 16.0690 16.6481 16.6481 18.0321 18.0321 20.5279 20.5279 22.9864 22.9864 k =-0.5000 0.5000 0.1597 ( 3644 PWs) bands (ev): -2.9947 -2.9947 -2.0769 -2.0769 4.7904 4.7904 5.0794 5.0794 5.8043 5.8043 7.2131 7.2131 9.1348 9.1348 10.0784 10.0784 16.0572 16.0572 16.7441 16.7441 18.1911 18.1911 20.7145 20.7145 22.7694 22.7694 k =-0.5000 0.5000 0.1691 ( 3636 PWs) bands (ev): -2.9711 -2.9711 -2.0992 -2.0992 4.8137 4.8137 5.0642 5.0642 5.7674 5.7674 7.1430 7.1430 9.2210 9.2210 10.0708 10.0708 16.0543 16.0543 16.8384 16.8384 18.3570 18.3570 20.9032 20.9032 22.5635 22.5635 k =-0.5000 0.5000 0.1785 ( 3620 PWs) bands (ev): -2.9465 -2.9465 -2.1225 -2.1225 4.8360 4.8360 5.0492 5.0492 5.7373 5.7373 7.0712 7.0712 9.3031 9.3031 10.0638 10.0638 16.0605 16.0605 16.9293 16.9293 18.5294 18.5294 21.0929 21.0929 22.3704 22.3704 k =-0.5000 0.5000 0.1879 ( 3620 PWs) bands (ev): -2.9209 -2.9209 -2.1469 -2.1469 4.8566 4.8566 5.0345 5.0345 5.7144 5.7144 6.9981 6.9981 9.3806 9.3806 10.0573 10.0573 16.0761 16.0761 17.0150 17.0150 18.7078 18.7078 21.2824 21.2824 22.1914 22.1914 k =-0.5000 0.5000 0.1973 ( 3620 PWs) bands (ev): -2.8944 -2.8944 -2.1723 -2.1723 4.8749 4.8749 5.0203 5.0203 5.6991 5.6991 6.9241 6.9241 9.4532 9.4532 10.0513 10.0513 16.1010 16.1010 17.0935 17.0935 18.8922 18.8922 21.4706 21.4706 22.0290 22.0290 k =-0.5000 0.5000 0.2067 ( 3628 PWs) bands (ev): -2.8671 -2.8671 -2.1985 -2.1985 4.8906 4.8906 5.0069 5.0069 5.6918 5.6918 6.8495 6.8495 9.5209 9.5209 10.0457 10.0457 16.1353 16.1353 17.1626 17.1626 19.0822 19.0822 21.6550 21.6550 21.8852 21.8852 k =-0.5000 0.5000 0.2161 ( 3624 PWs) bands (ev): -2.8389 -2.8389 -2.2257 -2.2257 4.9033 4.9033 4.9943 4.9943 5.6928 5.6928 6.7747 6.7747 9.5833 9.5833 10.0403 10.0403 16.1787 16.1787 17.2202 17.2202 19.2776 19.2776 21.7624 21.7624 21.8327 21.8327 k =-0.5000 0.5000 0.2255 ( 3628 PWs) bands (ev): -2.8101 -2.8101 -2.2536 -2.2536 4.9129 4.9129 4.9827 4.9827 5.7019 5.7019 6.6999 6.6999 9.6406 9.6406 10.0349 10.0349 16.2309 16.2309 17.2641 17.2641 19.4781 19.4781 21.6626 21.6626 21.9981 21.9981 k =-0.5000 0.5000 0.2349 ( 3620 PWs) bands (ev): -2.7806 -2.7806 -2.2823 -2.2823 4.9195 4.9195 4.9722 4.9722 5.7190 5.7190 6.6254 6.6254 9.6927 9.6927 10.0294 10.0294 16.2915 16.2915 17.2926 17.2926 19.6835 19.6835 21.5877 21.5877 22.1433 22.1433 k =-0.5000 0.5000 0.2443 ( 3620 PWs) bands (ev): -2.7505 -2.7505 -2.3117 -2.3117 4.9235 4.9235 4.9629 4.9629 5.7436 5.7436 6.5515 6.5515 9.7398 9.7398 10.0235 10.0235 16.3597 16.3597 17.3043 17.3043 19.8936 19.8936 21.5389 21.5389 22.2560 22.2560 k =-0.5000 0.5000 0.2537 ( 3608 PWs) bands (ev): -2.7199 -2.7199 -2.3417 -2.3417 4.9254 4.9254 4.9548 4.9548 5.7751 5.7751 6.4785 6.4785 9.7820 9.7820 10.0170 10.0170 16.4348 16.4348 17.2986 17.2986 20.1081 20.1081 21.5170 21.5170 22.3214 22.3214 k =-0.5000 0.5000 0.2631 ( 3616 PWs) bands (ev): -2.6888 -2.6888 -2.3722 -2.3722 4.9259 4.9259 4.9479 4.9479 5.8128 5.8128 6.4065 6.4065 9.8196 9.8196 10.0095 10.0095 16.5157 16.5157 17.2756 17.2756 20.3267 20.3267 21.5215 21.5215 22.3296 22.3296 k =-0.5000 0.5000 0.2725 ( 3616 PWs) bands (ev): -2.6574 -2.6574 -2.4031 -2.4031 4.9256 4.9256 4.9420 4.9420 5.8561 5.8561 6.3359 6.3359 9.8528 9.8528 10.0009 10.0009 16.6012 16.6012 17.2364 17.2364 20.5495 20.5495 21.5513 21.5513 22.2837 22.2837 k =-0.5000 0.5000 0.2819 ( 3624 PWs) bands (ev): -2.6258 -2.6258 -2.4345 -2.4345 4.9252 4.9252 4.9370 4.9370 5.9042 5.9042 6.2668 6.2668 9.8820 9.8820 9.9908 9.9908 16.6900 16.6900 17.1827 17.1827 20.7762 20.7762 21.6045 21.6045 22.1892 22.1892 k =-0.5000 0.5000 0.2913 ( 3624 PWs) bands (ev): -2.5939 -2.5939 -2.4661 -2.4661 4.9252 4.9252 4.9329 4.9329 5.9567 5.9567 6.1997 6.1997 9.9075 9.9075 9.9790 9.9790 16.7803 16.7803 17.1168 17.1168 21.0066 21.0066 21.6782 21.6782 21.9607 21.9607 k =-0.5000 0.5000 0.3007 ( 3632 PWs) bands (ev): -2.5619 -2.5619 -2.4979 -2.4979 4.9258 4.9258 4.9296 4.9296 6.0129 6.0129 6.1348 6.1348 9.9296 9.9296 9.9650 9.9650 16.8704 16.8704 17.0410 17.0410 21.2403 21.2403 21.7177 21.7177 21.7691 21.7691 k =-0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k =-0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k =-0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k =-0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 k =-0.5000 0.5000 0.3007 ( 3632 PWs) bands (ev): -2.5619 -2.5619 -2.4979 -2.4979 4.9258 4.9258 4.9296 4.9296 6.0129 6.0129 6.1348 6.1348 9.9296 9.9296 9.9650 9.9650 16.8704 16.8704 17.0410 17.0410 21.2403 21.2403 21.7177 21.7177 21.7691 21.7691 k =-0.5000 0.5000 0.2913 ( 3624 PWs) bands (ev): -2.5939 -2.5939 -2.4661 -2.4661 4.9252 4.9252 4.9329 4.9329 5.9567 5.9567 6.1997 6.1997 9.9075 9.9075 9.9790 9.9790 16.7803 16.7803 17.1168 17.1168 21.0066 21.0066 21.6782 21.6782 21.9607 21.9607 k =-0.5000 0.5000 0.2819 ( 3624 PWs) bands (ev): -2.6258 -2.6258 -2.4345 -2.4345 4.9252 4.9252 4.9370 4.9370 5.9042 5.9042 6.2668 6.2668 9.8820 9.8820 9.9908 9.9908 16.6900 16.6900 17.1827 17.1827 20.7762 20.7762 21.6045 21.6045 22.1892 22.1892 k =-0.5000 0.5000 0.2725 ( 3616 PWs) bands (ev): -2.6574 -2.6574 -2.4031 -2.4031 4.9256 4.9256 4.9420 4.9420 5.8561 5.8561 6.3359 6.3359 9.8528 9.8528 10.0009 10.0009 16.6012 16.6012 17.2364 17.2364 20.5495 20.5495 21.5513 21.5513 22.2837 22.2837 k =-0.5000 0.5000 0.2631 ( 3616 PWs) bands (ev): -2.6888 -2.6888 -2.3722 -2.3722 4.9259 4.9259 4.9479 4.9479 5.8128 5.8128 6.4065 6.4065 9.8196 9.8196 10.0095 10.0095 16.5157 16.5157 17.2756 17.2756 20.3267 20.3267 21.5215 21.5215 22.3296 22.3296 k =-0.5000 0.5000 0.2537 ( 3608 PWs) bands (ev): -2.7199 -2.7199 -2.3417 -2.3417 4.9254 4.9254 4.9548 4.9548 5.7751 5.7751 6.4785 6.4785 9.7820 9.7820 10.0170 10.0170 16.4348 16.4348 17.2986 17.2986 20.1081 20.1081 21.5170 21.5170 22.3214 22.3214 k =-0.5000 0.5000 0.2443 ( 3620 PWs) bands (ev): -2.7505 -2.7505 -2.3117 -2.3117 4.9235 4.9235 4.9629 4.9629 5.7436 5.7436 6.5515 6.5515 9.7398 9.7398 10.0235 10.0235 16.3597 16.3597 17.3043 17.3043 19.8936 19.8936 21.5389 21.5389 22.2560 22.2560 k =-0.5000 0.5000 0.2349 ( 3620 PWs) bands (ev): -2.7806 -2.7806 -2.2823 -2.2823 4.9195 4.9195 4.9722 4.9722 5.7190 5.7190 6.6254 6.6254 9.6927 9.6927 10.0294 10.0294 16.2915 16.2915 17.2926 17.2926 19.6835 19.6835 21.5877 21.5877 22.1433 22.1433 k =-0.5000 0.5000 0.2255 ( 3628 PWs) bands (ev): -2.8101 -2.8101 -2.2536 -2.2536 4.9129 4.9129 4.9827 4.9827 5.7019 5.7019 6.6999 6.6999 9.6406 9.6406 10.0349 10.0349 16.2309 16.2309 17.2641 17.2641 19.4781 19.4781 21.6626 21.6626 21.9981 21.9981 k =-0.5000 0.5000 0.2161 ( 3624 PWs) bands (ev): -2.8389 -2.8389 -2.2257 -2.2257 4.9033 4.9033 4.9943 4.9943 5.6928 5.6928 6.7747 6.7747 9.5833 9.5833 10.0403 10.0403 16.1787 16.1787 17.2202 17.2202 19.2776 19.2776 21.7624 21.7624 21.8327 21.8327 k =-0.5000 0.5000 0.2067 ( 3628 PWs) bands (ev): -2.8671 -2.8671 -2.1985 -2.1985 4.8906 4.8906 5.0069 5.0069 5.6918 5.6918 6.8495 6.8495 9.5209 9.5209 10.0457 10.0457 16.1353 16.1353 17.1626 17.1626 19.0822 19.0822 21.6550 21.6550 21.8852 21.8852 k =-0.5000 0.5000 0.1973 ( 3620 PWs) bands (ev): -2.8944 -2.8944 -2.1723 -2.1723 4.8749 4.8749 5.0203 5.0203 5.6991 5.6991 6.9241 6.9241 9.4532 9.4532 10.0513 10.0513 16.1010 16.1010 17.0935 17.0935 18.8922 18.8922 21.4706 21.4706 22.0290 22.0290 k =-0.5000 0.5000 0.1879 ( 3620 PWs) bands (ev): -2.9209 -2.9209 -2.1469 -2.1469 4.8566 4.8566 5.0345 5.0345 5.7144 5.7144 6.9981 6.9981 9.3806 9.3806 10.0573 10.0573 16.0761 16.0761 17.0150 17.0150 18.7078 18.7078 21.2824 21.2824 22.1914 22.1914 k =-0.5000 0.5000 0.1785 ( 3620 PWs) bands (ev): -2.9465 -2.9465 -2.1225 -2.1225 4.8360 4.8360 5.0492 5.0492 5.7373 5.7373 7.0712 7.0712 9.3031 9.3031 10.0638 10.0638 16.0605 16.0605 16.9293 16.9293 18.5294 18.5294 21.0929 21.0929 22.3704 22.3704 k =-0.5000 0.5000 0.1691 ( 3636 PWs) bands (ev): -2.9711 -2.9711 -2.0992 -2.0992 4.8137 4.8137 5.0642 5.0642 5.7674 5.7674 7.1430 7.1430 9.2210 9.2210 10.0708 10.0708 16.0543 16.0543 16.8384 16.8384 18.3570 18.3570 20.9032 20.9032 22.5635 22.5635 k =-0.5000 0.5000 0.1597 ( 3644 PWs) bands (ev): -2.9947 -2.9947 -2.0769 -2.0769 4.7904 4.7904 5.0794 5.0794 5.8043 5.8043 7.2131 7.2131 9.1348 9.1348 10.0784 10.0784 16.0572 16.0572 16.7441 16.7441 18.1911 18.1911 20.7145 20.7145 22.7694 22.7694 k =-0.5000 0.5000 0.1503 ( 3616 PWs) bands (ev): -3.0172 -3.0172 -2.0558 -2.0558 4.7664 4.7664 5.0946 5.0946 5.8475 5.8475 7.2811 7.2811 9.0450 9.0450 10.0865 10.0865 16.0690 16.0690 16.6481 16.6481 18.0321 18.0321 20.5279 20.5279 22.9864 22.9864 k =-0.5000 0.5000 0.1410 ( 3616 PWs) bands (ev): -3.0386 -3.0386 -2.0358 -2.0358 4.7423 4.7423 5.1096 5.1096 5.8966 5.8966 7.3463 7.3463 8.9521 8.9521 10.0953 10.0953 16.0893 16.0893 16.5519 16.5519 17.8801 17.8801 20.3437 20.3437 23.2125 23.2125 k =-0.5000 0.5000 0.1316 ( 3616 PWs) bands (ev): -3.0588 -3.0588 -2.0170 -2.0170 4.7185 4.7185 5.1244 5.1244 5.9511 5.9511 7.4083 7.4083 8.8568 8.8568 10.1045 10.1045 16.1175 16.1175 16.4569 16.4569 17.7355 17.7355 20.1626 20.1626 23.4467 23.4467 k =-0.5000 0.5000 0.1222 ( 3616 PWs) bands (ev): -3.0778 -3.0778 -1.9994 -1.9994 4.6954 4.6954 5.1387 5.1387 6.0109 6.0109 7.4661 7.4661 8.7601 8.7601 10.1141 10.1141 16.1528 16.1528 16.3646 16.3646 17.5988 17.5988 19.9852 19.9852 23.6875 23.6875 k =-0.5000 0.5000 0.1128 ( 3616 PWs) bands (ev): -3.0956 -3.0956 -1.9830 -1.9830 4.6731 4.6731 5.1524 5.1524 6.0754 6.0754 7.5188 7.5188 8.6630 8.6630 10.1240 10.1240 16.1918 16.1918 16.2787 16.2787 17.4701 17.4701 19.8120 19.8120 23.9338 23.9338 k =-0.5000 0.5000 0.1034 ( 3608 PWs) bands (ev): -3.1121 -3.1121 -1.9679 -1.9679 4.6520 4.6520 5.1654 5.1654 6.1445 6.1445 7.5651 7.5651 8.5669 8.5669 10.1341 10.1341 16.1776 16.1776 16.2562 16.2562 17.3500 17.3500 19.6436 19.6436 24.1844 24.1844 k =-0.5000 0.5000 0.0940 ( 3592 PWs) bands (ev): -3.1272 -3.1272 -1.9540 -1.9540 4.6322 4.6322 5.1776 5.1776 6.2179 6.2179 7.6030 7.6030 8.4740 8.4740 10.1442 10.1442 16.1014 16.1014 16.3062 16.3062 17.2388 17.2388 19.4808 19.4808 24.4382 24.4382 k =-0.5000 0.5000 0.0846 ( 3592 PWs) bands (ev): -3.1410 -3.1410 -1.9415 -1.9415 4.6139 4.6139 5.1889 5.1889 6.2953 6.2953 7.6298 7.6298 8.3870 8.3870 10.1541 10.1541 16.0267 16.0267 16.3648 16.3648 17.1367 17.1367 19.3242 19.3242 24.6936 24.6936 k =-0.5000 0.5000 0.0752 ( 3584 PWs) bands (ev): -3.1534 -3.1534 -1.9302 -1.9302 4.5973 4.5973 5.1993 5.1993 6.3764 6.3764 7.6420 7.6420 8.3095 8.3095 10.1636 10.1636 15.9575 15.9575 16.4274 16.4274 17.0443 17.0443 19.1750 19.1750 24.9494 24.9494 k =-0.5000 0.5000 0.0658 ( 3584 PWs) bands (ev): -3.1644 -3.1644 -1.9203 -1.9203 4.5824 4.5824 5.2086 5.2086 6.4611 6.4611 7.6353 7.6353 8.2460 8.2460 10.1726 10.1726 15.8949 15.8949 16.4922 16.4922 16.9618 16.9618 19.0343 19.0343 25.2034 25.2034 k =-0.5000 0.5000 0.0564 ( 3584 PWs) bands (ev): -3.1740 -3.1740 -1.9116 -1.9116 4.5693 4.5693 5.2167 5.2167 6.5489 6.5489 7.6066 7.6066 8.1997 8.1997 10.1809 10.1809 15.8395 15.8395 16.5573 16.5573 16.8896 16.8896 18.9037 18.9037 25.4533 25.4533 k =-0.5000 0.5000 0.0470 ( 3596 PWs) bands (ev): -3.1822 -3.1822 -1.9043 -1.9043 4.5581 4.5581 5.2237 5.2237 6.6396 6.6396 7.5560 7.5560 8.1708 8.1708 10.1882 10.1882 15.7918 15.7918 16.6207 16.6207 16.8281 16.8281 18.7851 18.7851 25.6951 25.6951 k =-0.5000 0.5000 0.0376 ( 3604 PWs) bands (ev): -3.1889 -3.1889 -1.8983 -1.8983 4.5489 4.5489 5.2295 5.2295 6.7327 6.7327 7.4874 7.4874 8.1556 8.1556 10.1945 10.1945 15.7522 15.7522 16.6793 16.6793 16.7776 16.7776 18.6812 18.6812 25.9238 25.9238 k =-0.5000 0.5000 0.0282 ( 3604 PWs) bands (ev): -3.1941 -3.1941 -1.8936 -1.8936 4.5417 4.5417 5.2340 5.2340 6.8279 6.8279 7.4059 7.4059 8.1493 8.1493 10.1995 10.1995 15.7211 15.7211 16.7249 16.7249 16.7437 16.7437 18.5949 18.5949 26.1313 26.1313 k =-0.5000 0.5000 0.0188 ( 3604 PWs) bands (ev): -3.1978 -3.1978 -1.8903 -1.8903 4.5365 4.5365 5.2373 5.2373 6.9244 6.9244 7.3165 7.3165 8.1475 8.1475 10.2032 10.2032 15.6987 15.6987 16.7071 16.7071 16.7733 16.7733 18.5297 18.5297 26.3038 26.3038 k =-0.5000 0.5000 0.0094 ( 3604 PWs) bands (ev): -3.2001 -3.2001 -1.8883 -1.8883 4.5334 4.5334 5.2393 5.2393 7.0207 7.0207 7.2234 7.2234 8.1475 8.1475 10.2055 10.2055 15.6852 15.6852 16.6904 16.6904 16.7989 16.7989 18.4888 18.4888 26.4221 26.4221 k =-0.5000 0.5000 0.0000 ( 3608 PWs) bands (ev): -3.2008 -3.2008 -1.8876 -1.8876 4.5324 4.5324 5.2399 5.2399 7.0960 7.0960 7.1491 7.1491 8.1477 8.1477 10.2062 10.2062 15.6806 15.6806 16.6848 16.6848 16.8078 16.8078 18.4749 18.4749 26.4648 26.4648 k = 0.0000 0.0000 0.3101 ( 3562 PWs) bands (ev): -5.4969 -5.4969 -5.4969 -5.4969 7.4746 7.4746 7.4746 7.4746 10.7747 10.7747 10.7747 10.7747 11.8156 11.8156 11.8156 11.8156 18.5610 18.5610 18.5610 18.5610 19.0536 19.0536 19.0536 19.0536 25.8986 25.8986 k =-0.0068 0.0068 0.3101 ( 3566 PWs) bands (ev): -5.4960 -5.4960 -5.4959 -5.4959 7.4708 7.4708 7.4768 7.4768 10.7449 10.7449 10.7982 10.7982 11.7860 11.7860 11.8367 11.8367 18.5678 18.5678 18.5682 18.5682 19.0584 19.0584 19.0600 19.0600 25.8802 25.8802 k =-0.0135 0.0135 0.3101 ( 3574 PWs) bands (ev): -5.4930 -5.4930 -5.4927 -5.4927 7.4655 7.4655 7.4774 7.4774 10.7088 10.7088 10.8155 10.8155 11.7481 11.7481 11.8496 11.8496 18.5885 18.5885 18.5893 18.5893 19.0744 19.0744 19.0776 19.0776 25.8408 25.8408 k =-0.0203 0.0203 0.3101 ( 3582 PWs) bands (ev): -5.4879 -5.4879 -5.4876 -5.4876 7.4586 7.4586 7.4766 7.4766 10.6664 10.6664 10.8269 10.8269 11.7020 11.7020 11.8545 11.8545 18.6229 18.6229 18.6244 18.6244 19.1014 19.1014 19.1064 19.1064 25.7824 25.7824 k =-0.0270 0.0270 0.3101 ( 3578 PWs) bands (ev): -5.4808 -5.4808 -5.4803 -5.4803 7.4500 7.4500 7.4741 7.4741 10.6177 10.6177 10.8326 10.8326 11.6479 11.6479 11.8517 11.8517 18.6705 18.6705 18.6729 18.6729 19.1391 19.1391 19.1461 19.1461 25.7078 25.7078 k =-0.0338 0.0338 0.3101 ( 3576 PWs) bands (ev): -5.4717 -5.4717 -5.4711 -5.4711 7.4397 7.4397 7.4701 7.4701 10.5630 10.5630 10.8330 10.8330 11.5862 11.5862 11.8418 11.8418 18.7308 18.7308 18.7346 18.7346 19.1871 19.1871 19.1964 19.1964 25.6197 25.6197 k =-0.0405 0.0405 0.3101 ( 3576 PWs) bands (ev): -5.4605 -5.4605 -5.4598 -5.4598 7.4276 7.4276 7.4646 7.4646 10.5025 10.5025 10.8284 10.8284 11.5173 11.5173 11.8253 11.8253 18.8031 18.8031 18.8089 18.8089 19.2449 19.2449 19.2569 19.2569 25.5206 25.5206 k =-0.0473 0.0473 0.3101 ( 3576 PWs) bands (ev): -5.4473 -5.4473 -5.4465 -5.4465 7.4137 7.4137 7.4573 7.4573 10.4364 10.4364 10.8193 10.8193 11.4419 11.4419 11.8029 11.8029 18.8867 18.8867 18.8952 18.8952 19.3120 19.3120 19.3273 19.3273 25.4130 25.4130 k =-0.0541 0.0541 0.3101 ( 3576 PWs) bands (ev): -5.4321 -5.4321 -5.4312 -5.4312 7.3979 7.3979 7.4484 7.4484 10.3651 10.3651 10.8061 10.8061 11.3606 11.3606 11.7753 11.7753 18.9807 18.9807 18.9927 18.9927 19.3878 19.3878 19.4072 19.4072 25.2990 25.2990 k =-0.0608 0.0608 0.3101 ( 3584 PWs) bands (ev): -5.4149 -5.4149 -5.4139 -5.4139 7.3801 7.3801 7.4378 7.4378 10.2888 10.2888 10.7892 10.7892 11.2739 11.2739 11.7431 11.7431 19.0841 19.0841 19.1009 19.1009 19.4713 19.4713 19.4959 19.4959 25.1803 25.1803 k =-0.0676 0.0676 0.3101 ( 3584 PWs) bands (ev): -5.3957 -5.3957 -5.3946 -5.3946 7.3602 7.3602 7.4254 7.4254 10.2080 10.2080 10.7689 10.7689 11.1827 11.1827 11.7072 11.7072 19.1959 19.1959 19.2190 19.2190 19.5620 19.5620 19.5932 19.5932 25.0586 25.0586 k =-0.0743 0.0743 0.3101 ( 3586 PWs) bands (ev): -5.3745 -5.3745 -5.3733 -5.3733 7.3381 7.3381 7.4111 7.4111 10.1231 10.1231 10.7453 10.7453 11.0881 11.0881 11.6683 11.6683 19.3146 19.3146 19.3460 19.3460 19.6588 19.6588 19.6987 19.6987 24.9352 24.9352 k =-0.0811 0.0811 0.3101 ( 3582 PWs) bands (ev): -5.3514 -5.3514 -5.3500 -5.3500 7.3138 7.3138 7.3948 7.3948 10.0344 10.0344 10.7182 10.7182 10.9913 10.9913 11.6270 11.6270 19.4390 19.4390 19.4812 19.4812 19.7609 19.7609 19.8120 19.8120 24.8115 24.8115 k =-0.0878 0.0878 0.3101 ( 3578 PWs) bands (ev): -5.3264 -5.3264 -5.3249 -5.3249 7.2872 7.2872 7.3766 7.3766 9.9424 9.9424 10.6859 10.6859 10.8950 10.8950 11.5841 11.5841 19.5670 19.5670 19.6237 19.6237 19.8671 19.8671 19.9331 19.9331 24.6887 24.6887 k =-0.0946 0.0946 0.3101 ( 3574 PWs) bands (ev): -5.2994 -5.2994 -5.2978 -5.2978 7.2583 7.2583 7.3563 7.3563 9.8473 9.8473 10.6438 10.6438 10.8049 10.8049 11.5402 11.5402 19.6968 19.6968 19.7722 19.7722 19.9766 19.9766 20.0620 20.0620 24.5678 24.5678 k =-0.1014 0.1014 0.3101 ( 3566 PWs) bands (ev): -5.2705 -5.2705 -5.2688 -5.2688 7.2270 7.2270 7.3339 7.3339 9.7497 9.7497 10.5820 10.5820 10.7318 10.7318 11.4959 11.4959 19.8261 19.8261 19.9249 19.9249 20.0888 20.0888 20.1988 20.1988 24.4500 24.4500 k =-0.1081 0.1081 0.3101 ( 3566 PWs) bands (ev): -5.2398 -5.2398 -5.2379 -5.2379 7.1932 7.1932 7.3093 7.3093 9.6498 9.6498 10.4959 10.4959 10.6811 10.6811 11.4516 11.4516 19.9523 19.9523 20.0785 20.0785 20.2049 20.2049 20.3436 20.3436 24.3366 24.3366 k =-0.1149 0.1149 0.3101 ( 3566 PWs) bands (ev): -5.2072 -5.2072 -5.2052 -5.2052 7.1571 7.1571 7.2826 7.2826 9.5480 9.5480 10.3943 10.3943 10.6448 10.6448 11.4079 11.4079 20.0731 20.0731 20.2245 20.2245 20.3303 20.3303 20.4964 20.4964 24.2287 24.2287 k =-0.1216 0.1216 0.3101 ( 3566 PWs) bands (ev): -5.1728 -5.1728 -5.1707 -5.1707 7.1184 7.1184 7.2535 7.2535 9.4446 9.4446 10.2854 10.2854 10.6155 10.6155 11.3652 11.3652 20.1861 20.1861 20.3500 20.3500 20.4750 20.4750 20.6567 20.6567 24.1277 24.1278 k =-0.1284 0.1284 0.3101 ( 3570 PWs) bands (ev): -5.1365 -5.1365 -5.1343 -5.1343 7.0774 7.0774 7.2223 7.2223 9.3399 9.3399 10.1729 10.1729 10.5900 10.5900 11.3239 11.3239 20.2890 20.2890 20.4539 20.4539 20.6368 20.6368 20.8235 20.8235 24.0352 24.0352 k =-0.1351 0.1351 0.3101 ( 3578 PWs) bands (ev): -5.0986 -5.0986 -5.0963 -5.0963 7.0341 7.0341 7.1888 7.1888 9.2343 9.2343 10.0584 10.0584 10.5672 10.5672 11.2843 11.2843 20.3799 20.3799 20.5412 20.5412 20.8070 20.8070 20.9959 20.9959 23.9526 23.9526 k =-0.1419 0.1419 0.3101 ( 3582 PWs) bands (ev): -5.0589 -5.0589 -5.0564 -5.0564 6.9885 6.9885 7.1530 7.1530 9.1280 9.1280 9.9428 9.9428 10.5469 10.5469 11.2465 11.2465 20.4567 20.4567 20.6132 20.6132 20.9803 20.9803 21.1722 21.1722 23.8814 23.8814 k =-0.1486 0.1486 0.3101 ( 3578 PWs) bands (ev): -5.0175 -5.0175 -5.0149 -5.0149 6.9406 6.9406 7.1151 7.1151 9.0213 9.0213 9.8267 9.8267 10.5286 10.5286 11.2109 11.2109 20.5173 20.5173 20.6685 20.6685 21.1540 21.1540 21.3509 21.3509 23.8232 23.8232 k =-0.1554 0.1554 0.3101 ( 3578 PWs) bands (ev): -4.9745 -4.9745 -4.9718 -4.9718 6.8908 6.8908 7.0750 7.0750 8.9144 8.9144 9.7105 9.7105 10.5125 10.5125 11.1775 11.1775 20.5600 20.5600 20.7054 20.7054 21.3256 21.3256 21.5300 21.5300 23.7792 23.7792 k =-0.1622 0.1622 0.3101 ( 3574 PWs) bands (ev): -4.9298 -4.9298 -4.9270 -4.9270 6.8389 6.8389 7.0329 7.0329 8.8076 8.8076 9.5944 9.5944 10.4984 10.4984 11.1465 11.1465 20.5834 20.5834 20.7223 20.7223 21.4926 21.4926 21.7071 21.7071 23.7505 23.7505 k =-0.1689 0.1689 0.3101 ( 3574 PWs) bands (ev): -4.8836 -4.8836 -4.8807 -4.8807 6.7853 6.7853 6.9888 6.9888 8.7010 8.7010 9.4789 9.4789 10.4863 10.4863 11.1179 11.1179 20.5869 20.5869 20.7183 20.7183 21.6521 21.6521 21.8790 21.8790 23.7377 23.7377 k =-0.1757 0.1757 0.3101 ( 3574 PWs) bands (ev): -4.8359 -4.8359 -4.8328 -4.8328 6.7301 6.7301 6.9428 6.9428 8.5948 8.5948 9.3640 9.3640 10.4761 10.4761 11.0916 11.0916 20.5703 20.5703 20.6934 20.6934 21.8009 21.8009 22.0421 22.0421 23.7417 23.7417 k =-0.1824 0.1824 0.3101 ( 3578 PWs) bands (ev): -4.7866 -4.7866 -4.7835 -4.7835 6.6733 6.6733 6.8951 6.8951 8.4893 8.4893 9.2499 9.2499 10.4676 10.4676 11.0676 11.0676 20.5346 20.5346 20.6484 20.6484 21.9349 21.9349 22.1914 22.1914 23.7631 23.7631 k =-0.1892 0.1892 0.3101 ( 3586 PWs) bands (ev): -4.7360 -4.7360 -4.7327 -4.7327 6.6153 6.6153 6.8457 6.8457 8.3846 8.3846 9.1369 9.1369 10.4608 10.4608 11.0459 11.0459 20.4808 20.4808 20.5848 20.5848 22.0504 22.0504 22.3212 22.3212 23.8019 23.8019 k =-0.1959 0.1959 0.3101 ( 3588 PWs) bands (ev): -4.6840 -4.6840 -4.6806 -4.6806 6.5561 6.5561 6.7949 6.7949 8.2809 8.2809 9.0251 9.0251 10.4556 10.4556 11.0264 11.0264 20.4109 20.4109 20.5047 20.5047 22.1439 22.1439 22.4259 22.4259 23.8556 23.8556 k =-0.2027 0.2027 0.3101 ( 3592 PWs) bands (ev): -4.6307 -4.6307 -4.6272 -4.6272 6.4961 6.4961 6.7428 6.7428 8.1783 8.1783 8.9146 8.9146 10.4517 10.4517 11.0088 11.0088 20.3269 20.3269 20.4103 20.4103 22.2129 22.2129 22.5012 22.5012 23.9128 23.9128 k =-0.2095 0.2095 0.3101 ( 3600 PWs) bands (ev): -4.5762 -4.5762 -4.5725 -4.5725 6.4353 6.4353 6.6895 6.6895 8.0769 8.0769 8.8055 8.8055 10.4490 10.4490 10.9930 10.9930 20.2307 20.2307 20.3038 20.3038 22.2570 22.2570 22.5455 22.5455 23.9437 23.9437 k =-0.2162 0.2162 0.3101 ( 3600 PWs) bands (ev): -4.5204 -4.5204 -4.5167 -4.5167 6.3739 6.3739 6.6353 6.6353 7.9770 7.9770 8.6980 8.6980 10.4474 10.4474 10.9787 10.9787 20.1243 20.1243 20.1873 20.1873 22.2774 22.2774 22.5607 22.5607 23.9188 23.9188 k =-0.2230 0.2230 0.3101 ( 3600 PWs) bands (ev): -4.4636 -4.4636 -4.4597 -4.4597 6.3122 6.3122 6.5802 6.5802 7.8785 7.8785 8.5921 8.5921 10.4465 10.4465 10.9659 10.9659 20.0096 20.0096 20.0629 20.0629 22.2765 22.2765 22.5507 22.5507 23.8522 23.8522 k =-0.2297 0.2297 0.3101 ( 3600 PWs) bands (ev): -4.4057 -4.4057 -4.4017 -4.4017 6.2503 6.2503 6.5245 6.5245 7.7817 7.7817 8.4879 8.4879 10.4462 10.4462 10.9542 10.9542 19.8882 19.8882 19.9322 19.9322 22.2576 22.2576 22.5204 22.5204 23.7692 23.7692 k =-0.2365 0.2365 0.3101 ( 3596 PWs) bands (ev): -4.3468 -4.3468 -4.3427 -4.3427 6.1884 6.1884 6.4682 6.4682 7.6866 7.6866 8.3856 8.3856 10.4462 10.4462 10.9433 10.9433 19.7618 19.7618 19.7969 19.7969 22.2243 22.2243 22.4745 22.4745 23.6823 23.6823 k =-0.2432 0.2432 0.3101 ( 3596 PWs) bands (ev): -4.2871 -4.2871 -4.2829 -4.2829 6.1266 6.1266 6.4117 6.4117 7.5933 7.5933 8.2851 8.2851 10.4464 10.4464 10.9331 10.9331 19.6316 19.6316 19.6583 19.6583 22.1798 22.1798 22.4173 22.4173 23.5960 23.5960 k =-0.2500 0.2500 0.3101 ( 3600 PWs) bands (ev): -4.2265 -4.2265 -4.2222 -4.2222 6.0652 6.0652 6.3549 6.3549 7.5020 7.5020 8.1865 8.1865 10.4465 10.4465 10.9232 10.9232 19.4989 19.4989 19.5177 19.5177 22.1270 22.1270 22.3523 22.3523 23.5118 23.5118 k =-0.2568 0.2568 0.3101 ( 3592 PWs) bands (ev): -4.1653 -4.1653 -4.1609 -4.1609 6.0043 6.0043 6.2981 6.2981 7.4128 7.4128 8.0900 8.0900 10.4463 10.4463 10.9134 10.9134 19.3648 19.3648 19.3762 19.3762 22.0685 22.0685 22.2824 22.2824 23.4302 23.4302 k =-0.2635 0.2635 0.3101 ( 3588 PWs) bands (ev): -4.1034 -4.1034 -4.0989 -4.0989 5.9440 5.9440 6.2415 6.2415 7.3256 7.3256 7.9955 7.9955 10.4455 10.4455 10.9034 10.9034 19.2303 19.2303 19.2349 19.2349 22.0064 22.0064 22.2097 22.2097 23.3512 23.3512 k =-0.2703 0.2703 0.3101 ( 3588 PWs) bands (ev): -4.0409 -4.0409 -4.0364 -4.0364 5.8845 5.8845 6.1851 6.1851 7.2407 7.2407 7.9030 7.9030 10.4441 10.4441 10.8929 10.8929 19.0944 19.0944 19.0962 19.0962 21.9422 21.9422 22.1361 22.1361 23.2757 23.2772 k =-0.2770 0.2770 0.3101 ( 3590 PWs) bands (ev): -3.9781 -3.9781 -3.9734 -3.9734 5.8259 5.8259 6.1290 6.1290 7.1581 7.1581 7.8127 7.8127 10.4416 10.4416 10.8818 10.8818 18.9558 18.9558 18.9633 18.9633 21.8775 21.8775 22.0628 22.0628 23.2006 23.2007 k =-0.2838 0.2838 0.3101 ( 3586 PWs) bands (ev): -3.9149 -3.9149 -3.9102 -3.9102 5.7683 5.7683 6.0735 6.0735 7.0778 7.0778 7.7246 7.7246 10.4381 10.4381 10.8696 10.8696 18.8196 18.8196 18.8324 18.8324 21.8132 21.8132 21.9910 21.9910 23.1273 23.1284 k =-0.2905 0.2905 0.3101 ( 3588 PWs) bands (ev): -3.8515 -3.8515 -3.8467 -3.8467 5.7119 5.7119 6.0185 6.0185 7.0000 7.0000 7.6386 7.6386 10.4332 10.4332 10.8562 10.8562 18.6866 18.6866 18.7041 18.7041 21.7502 21.7502 21.9213 21.9213 23.0553 23.0589 k =-0.2973 0.2973 0.3101 ( 3592 PWs) bands (ev): -3.7880 -3.7880 -3.7832 -3.7832 5.6568 5.6568 5.9642 5.9642 6.9247 6.9247 7.5549 7.5549 10.4269 10.4269 10.8414 10.8414 18.5572 18.5572 18.5790 18.5790 21.6893 21.6893 21.8545 21.8545 22.9859 22.9860 k =-0.3041 0.3041 0.3101 ( 3592 PWs) bands (ev): -3.7246 -3.7246 -3.7197 -3.7197 5.6031 5.6031 5.9108 5.9108 6.8521 6.8521 7.4733 7.4733 10.4190 10.4190 10.8250 10.8250 18.4320 18.4320 18.4575 18.4575 21.6309 21.6309 21.7909 21.7909 22.9192 22.9192 k =-0.3108 0.3108 0.3101 ( 3598 PWs) bands (ev): -3.6612 -3.6612 -3.6563 -3.6563 5.5508 5.5508 5.8582 5.8582 6.7821 6.7821 7.3941 7.3941 10.4094 10.4094 10.8068 10.8068 18.3113 18.3113 18.3401 18.3401 21.5756 21.5756 21.7310 21.7310 22.8547 22.8547 k =-0.3176 0.3176 0.3101 ( 3596 PWs) bands (ev): -3.5982 -3.5982 -3.5932 -3.5932 5.5002 5.5002 5.8065 5.8065 6.7149 6.7149 7.3170 7.3170 10.3980 10.3980 10.7867 10.7867 18.1957 18.1957 18.2273 18.2273 21.5237 21.5237 21.6750 21.6750 22.7925 22.7925 k =-0.3243 0.3243 0.3101 ( 3596 PWs) bands (ev): -3.5355 -3.5355 -3.5306 -3.5306 5.4512 5.4512 5.7559 5.7559 6.6505 6.6505 7.2423 7.2423 10.3848 10.3848 10.7645 10.7645 18.0853 18.0853 18.1191 18.1191 21.4754 21.4754 21.6232 21.6232 22.7324 22.7324 k =-0.3311 0.3311 0.3101 ( 3592 PWs) bands (ev): -3.4734 -3.4734 -3.4684 -3.4684 5.4040 5.4040 5.7063 5.7063 6.5890 6.5890 7.1698 7.1698 10.3697 10.3697 10.7403 10.7403 17.9805 17.9805 18.0161 18.0161 21.4311 21.4311 21.5756 21.5756 22.6745 22.6745 k =-0.3378 0.3378 0.3101 ( 3596 PWs) bands (ev): -3.4120 -3.4120 -3.4070 -3.4070 5.3586 5.3586 5.6579 5.6579 6.5305 6.5305 7.0996 7.0996 10.3528 10.3528 10.7139 10.7139 17.8813 17.8813 17.9182 17.9182 21.3908 21.3908 21.5325 21.5325 22.6187 22.6187 k =-0.3446 0.3446 0.3101 ( 3594 PWs) bands (ev): -3.3514 -3.3514 -3.3464 -3.3464 5.3151 5.3151 5.6106 5.6106 6.4750 6.4750 7.0316 7.0316 10.3341 10.3341 10.6854 10.6854 17.7879 17.7879 17.8257 17.8257 21.3548 21.3548 21.4938 21.4938 22.5650 22.5650 k =-0.3514 0.3514 0.3101 ( 3592 PWs) bands (ev): -3.2917 -3.2917 -3.2868 -3.2868 5.2736 5.2736 5.5645 5.5645 6.4225 6.4225 6.9660 6.9660 10.3138 10.3138 10.6549 10.6549 17.7004 17.7004 17.7386 17.7386 21.3231 21.3231 21.4596 21.4596 22.5134 22.5134 k =-0.3581 0.3581 0.3101 ( 3596 PWs) bands (ev): -3.2332 -3.2332 -3.2284 -3.2284 5.2341 5.2341 5.5197 5.5197 6.3732 6.3732 6.9025 6.9025 10.2920 10.2920 10.6223 10.6223 17.6187 17.6187 17.6570 17.6570 21.2958 21.2958 21.4300 21.4300 22.4638 22.4638 k =-0.3649 0.3649 0.3101 ( 3596 PWs) bands (ev): -3.1760 -3.1760 -3.1712 -3.1712 5.1967 5.1967 5.4762 5.4762 6.3270 6.3270 6.8413 6.8413 10.2687 10.2687 10.5880 10.5880 17.5429 17.5429 17.5809 17.5809 21.2731 21.2731 21.4050 21.4050 22.4163 22.4163 k =-0.3716 0.3716 0.3101 ( 3600 PWs) bands (ev): -3.1202 -3.1202 -3.1155 -3.1155 5.1614 5.1614 5.4340 5.4340 6.2841 6.2841 6.7824 6.7824 10.2443 10.2443 10.5520 10.5520 17.4728 17.4728 17.5102 17.5102 21.2547 21.2547 21.3844 21.3844 22.3708 22.3708 k =-0.3784 0.3784 0.3101 ( 3598 PWs) bands (ev): -3.0660 -3.0660 -3.0614 -3.0614 5.1284 5.1284 5.3931 5.3931 6.2444 6.2444 6.7256 6.7256 10.2190 10.2190 10.5147 10.5147 17.4084 17.4084 17.4447 17.4447 21.2409 21.2409 21.3684 21.3684 22.3273 22.3273 k =-0.3851 0.3851 0.3101 ( 3600 PWs) bands (ev): -3.0136 -3.0136 -3.0091 -3.0091 5.0975 5.0975 5.3536 5.3536 6.2080 6.2080 6.6710 6.6710 10.1931 10.1931 10.4761 10.4761 17.3494 17.3494 17.3845 17.3845 21.2315 21.2315 21.3566 21.3566 22.2857 22.2857 k =-0.3919 0.3919 0.3101 ( 3608 PWs) bands (ev): -2.9630 -2.9630 -2.9587 -2.9587 5.0689 5.0689 5.3155 5.3155 6.1748 6.1748 6.6187 6.6187 10.1667 10.1667 10.4366 10.4366 17.2956 17.2956 17.3293 17.3293 21.2264 21.2264 21.3490 21.3490 22.2462 22.2476 k =-0.3986 0.3986 0.3101 ( 3612 PWs) bands (ev): -2.9146 -2.9146 -2.9104 -2.9104 5.0426 5.0426 5.2788 5.2788 6.1450 6.1450 6.5685 6.5685 10.1403 10.1403 10.3966 10.3966 17.2469 17.2469 17.2789 17.2789 21.2256 21.2256 21.3455 21.3455 22.2086 22.2094 k =-0.4054 0.4054 0.3101 ( 3616 PWs) bands (ev): -2.8683 -2.8683 -2.8643 -2.8643 5.0186 5.0186 5.2436 5.2436 6.1185 6.1185 6.5204 6.5204 10.1142 10.1142 10.3563 10.3563 17.2029 17.2029 17.2331 17.2331 21.2288 21.2288 21.3458 21.3458 22.1727 22.1729 k =-0.4122 0.4122 0.3101 ( 3614 PWs) bands (ev): -2.8245 -2.8245 -2.8206 -2.8206 4.9969 4.9969 5.2099 5.2099 6.0952 6.0952 6.4745 6.4745 10.0886 10.0886 10.3161 10.3161 17.1635 17.1635 17.1917 17.1917 21.2360 21.2360 21.3497 21.3497 22.1377 22.1384 k =-0.4189 0.4189 0.3101 ( 3622 PWs) bands (ev): -2.7831 -2.7831 -2.7795 -2.7795 4.9776 4.9776 5.1778 5.1778 6.0752 6.0752 6.4307 6.4307 10.0640 10.0640 10.2763 10.2763 17.1284 17.1284 17.1545 17.1545 21.2466 21.2466 21.3567 21.3567 22.1045 22.1064 k =-0.4257 0.4257 0.3101 ( 3622 PWs) bands (ev): -2.7445 -2.7445 -2.7411 -2.7411 4.9606 4.9606 5.1472 5.1472 6.0585 6.0585 6.3890 6.3890 10.0407 10.0407 10.2374 10.2374 17.0972 17.0972 17.1212 17.1212 21.2606 21.2606 21.3665 21.3665 22.0722 22.0723 k =-0.4324 0.4324 0.3101 ( 3622 PWs) bands (ev): -2.7087 -2.7087 -2.7055 -2.7055 4.9460 4.9460 5.1182 5.1182 6.0449 6.0449 6.3494 6.3494 10.0190 10.0190 10.1995 10.1995 17.0698 17.0698 17.0917 17.0917 21.2776 21.2776 21.3789 21.3789 22.0420 22.0420 k =-0.4392 0.4392 0.3101 ( 3622 PWs) bands (ev): -2.6758 -2.6758 -2.6729 -2.6729 4.9338 4.9338 5.0909 5.0909 6.0345 6.0345 6.3119 6.3119 9.9993 9.9993 10.1631 10.1631 17.0460 17.0460 17.0656 17.0656 21.2971 21.2971 21.3931 21.3931 22.0135 22.0135 k =-0.4459 0.4459 0.3101 ( 3622 PWs) bands (ev): -2.6460 -2.6460 -2.6434 -2.6434 4.9239 4.9239 5.0653 5.0653 6.0272 6.0272 6.2765 6.2765 9.9817 9.9817 10.1286 10.1286 17.0254 17.0254 17.0428 17.0428 21.3185 21.3185 21.4086 21.4086 21.9869 21.9869 k =-0.4527 0.4527 0.3101 ( 3622 PWs) bands (ev): -2.6194 -2.6194 -2.6171 -2.6171 4.9163 4.9163 5.0414 5.0414 6.0230 6.0230 6.2433 6.2433 9.9667 9.9667 10.0961 10.0961 17.0079 17.0079 17.0230 17.0230 21.3415 21.3415 21.4247 21.4247 21.9621 21.9621 k =-0.4595 0.4595 0.3101 ( 3622 PWs) bands (ev): -2.5961 -2.5961 -2.5941 -2.5941 4.9111 4.9111 5.0194 5.0194 6.0217 6.0217 6.2122 6.2122 9.9544 9.9544 10.0661 10.0661 16.9933 16.9933 17.0062 17.0062 21.3653 21.3653 21.4406 21.4406 21.9395 21.9395 k =-0.4662 0.4662 0.3101 ( 3626 PWs) bands (ev): -2.5762 -2.5762 -2.5745 -2.5745 4.9082 4.9082 4.9991 4.9991 6.0233 6.0233 6.1832 6.1832 9.9451 9.9451 10.0387 10.0387 16.9813 16.9813 16.9921 16.9921 21.3892 21.3892 21.4553 21.4553 21.9193 21.9193 k =-0.4730 0.4730 0.3101 ( 3630 PWs) bands (ev): -2.5598 -2.5598 -2.5584 -2.5584 4.9075 4.9075 4.9808 4.9808 6.0278 6.0278 6.1565 6.1565 9.9390 9.9390 10.0142 10.0142 16.9720 16.9720 16.9805 16.9805 21.4122 21.4122 21.4679 21.4679 21.9020 21.9020 k =-0.4797 0.4797 0.3101 ( 3630 PWs) bands (ev): -2.5469 -2.5469 -2.5459 -2.5459 4.9092 4.9092 4.9644 4.9644 6.0350 6.0350 6.1320 6.1320 9.9362 9.9362 9.9928 9.9928 16.9650 16.9650 16.9714 16.9714 21.4335 21.4335 21.4773 21.4773 21.8882 21.8882 k =-0.4865 0.4865 0.3101 ( 3632 PWs) bands (ev): -2.5376 -2.5376 -2.5369 -2.5369 4.9130 4.9130 4.9500 4.9500 6.0449 6.0449 6.1098 6.1098 9.9369 9.9369 9.9747 9.9747 16.9604 16.9604 16.9647 16.9647 21.4522 21.4522 21.4825 21.4825 21.8785 21.8785 k =-0.4932 0.4932 0.3101 ( 3632 PWs) bands (ev): -2.5319 -2.5319 -2.5316 -2.5316 4.9191 4.9191 4.9376 4.9376 6.0574 6.0574 6.0899 6.0899 9.9410 9.9410 9.9599 9.9599 16.9581 16.9581 16.9603 16.9603 21.4672 21.4672 21.4827 21.4827 21.8733 21.8733 k =-0.5000 0.5000 0.3101 ( 3632 PWs) bands (ev): -2.5299 -2.5299 -2.5299 -2.5299 4.9273 4.9273 4.9273 4.9273 6.0724 6.0724 6.0724 6.0724 9.9487 9.9487 9.9487 9.9487 16.9581 16.9581 16.9581 16.9581 21.4775 21.4775 21.4775 21.4775 21.8729 21.8729 Writing output data file Cs.save init_run : 0.08s CPU 0.26s WALL ( 1 calls) electrons : 141.57s CPU 146.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 141.56s CPU 146.74s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 548 calls) cegterg : 131.22s CPU 133.62s WALL ( 1019 calls) Called by sum_band: Called by *egterg: h_psi : 75.50s CPU 78.55s WALL ( 17381 calls) g_psi : 0.26s CPU 0.25s WALL ( 15814 calls) cdiaghg : 49.65s CPU 49.16s WALL ( 16362 calls) cegterg:over : 4.25s CPU 4.17s WALL ( 15814 calls) cegterg:upda : 3.22s CPU 3.27s WALL ( 15814 calls) cegterg:last : 1.36s CPU 1.45s WALL ( 3029 calls) cdiaghg:chol : 2.47s CPU 2.61s WALL ( 16362 calls) cdiaghg:inve : 0.94s CPU 0.93s WALL ( 16362 calls) cdiaghg:para : 3.01s CPU 3.25s WALL ( 32724 calls) Called by h_psi: h_psi:vloc : 60.74s CPU 63.80s WALL ( 17381 calls) h_psi:vnl : 14.66s CPU 14.61s WALL ( 17381 calls) add_vuspsi : 9.28s CPU 9.25s WALL ( 17381 calls) General routines calbec : 5.34s CPU 5.32s WALL ( 17381 calls) fft : 0.00s CPU 0.00s WALL ( 13 calls) fftw : 57.70s CPU 60.46s WALL ( 920432 calls) davcio : 0.11s CPU 1.28s WALL ( 1096 calls) Parallel routines fft_scatter : 23.40s CPU 24.14s WALL ( 920445 calls) PWSCF : 2m34.02s CPU 2m59.12s WALL This run was terminated on: 17:31:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=