Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:56:13 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: ./SN.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 25 13 4 843 337 60 Max 26 14 5 849 350 65 Sum 903 495 155 30469 12395 2211 bravais-lattice index = 14 lattice parameter (alat) = 5.7195 a.u. unit-cell volume = 314.0925 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 22.00 number of Kohn-Sham states= 30 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.719482 celldm(2)= 1.081570 celldm(3)= 1.552147 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 1.081570 0.000000 ) a(3) = ( 0.000000 0.000000 1.552147 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.924582 -0.000000 ) b(3) = ( 0.000000 0.000000 0.644269 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) N 5.00 14.00670 N( 1.00) 8 Sym. Ops., with inversion, found ( 6 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 =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5407848 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5407848 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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 =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5407848 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5407848 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] 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 [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] 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) = ( 0.0096154 -0.0000000 -0.0000000), wk = 0.0018248 k( 3) = ( 0.0192308 -0.0000000 -0.0000000), wk = 0.0018248 k( 4) = ( 0.0288462 -0.0000000 -0.0000000), wk = 0.0018248 k( 5) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0018248 k( 6) = ( 0.0480769 -0.0000000 -0.0000000), wk = 0.0018248 k( 7) = ( 0.0576923 -0.0000000 -0.0000000), wk = 0.0018248 k( 8) = ( 0.0673077 -0.0000000 -0.0000000), wk = 0.0018248 k( 9) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0018248 k( 10) = ( 0.0865385 -0.0000000 -0.0000000), wk = 0.0018248 k( 11) = ( 0.0961538 -0.0000000 -0.0000000), wk = 0.0018248 k( 12) = ( 0.1057692 -0.0000000 -0.0000000), wk = 0.0018248 k( 13) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0018248 k( 14) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0018248 k( 15) = ( 0.1346154 -0.0000000 -0.0000000), wk = 0.0018248 k( 16) = ( 0.1442308 -0.0000000 -0.0000000), wk = 0.0018248 k( 17) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0018248 k( 18) = ( 0.1634615 -0.0000000 -0.0000000), wk = 0.0018248 k( 19) = ( 0.1730769 -0.0000000 -0.0000000), wk = 0.0018248 k( 20) = ( 0.1826923 -0.0000000 -0.0000000), wk = 0.0018248 k( 21) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0018248 k( 22) = ( 0.2019231 -0.0000000 -0.0000000), wk = 0.0018248 k( 23) = ( 0.2115385 -0.0000000 -0.0000000), wk = 0.0018248 k( 24) = ( 0.2211539 -0.0000000 -0.0000000), wk = 0.0018248 k( 25) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0018248 k( 26) = ( 0.2403846 -0.0000000 -0.0000000), wk = 0.0018248 k( 27) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0018248 k( 28) = ( 0.2596154 -0.0000000 -0.0000000), wk = 0.0018248 k( 29) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0018248 k( 30) = ( 0.2788462 -0.0000000 -0.0000000), wk = 0.0018248 k( 31) = ( 0.2884615 -0.0000000 -0.0000000), wk = 0.0018248 k( 32) = ( 0.2980769 -0.0000000 -0.0000000), wk = 0.0018248 k( 33) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0018248 k( 34) = ( 0.3173077 -0.0000000 -0.0000000), wk = 0.0018248 k( 35) = ( 0.3269231 -0.0000000 -0.0000000), wk = 0.0018248 k( 36) = ( 0.3365385 -0.0000000 -0.0000000), wk = 0.0018248 k( 37) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0018248 k( 38) = ( 0.3557692 -0.0000000 -0.0000000), wk = 0.0018248 k( 39) = ( 0.3653846 -0.0000000 -0.0000000), wk = 0.0018248 k( 40) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0018248 k( 41) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0018248 k( 42) = ( 0.3942308 -0.0000000 -0.0000000), wk = 0.0018248 k( 43) = ( 0.4038462 -0.0000000 -0.0000000), wk = 0.0018248 k( 44) = ( 0.4134615 -0.0000000 -0.0000000), wk = 0.0018248 k( 45) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0018248 k( 46) = ( 0.4326923 -0.0000000 -0.0000000), wk = 0.0018248 k( 47) = ( 0.4423077 -0.0000000 -0.0000000), wk = 0.0018248 k( 48) = ( 0.4519231 -0.0000000 -0.0000000), wk = 0.0018248 k( 49) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0018248 k( 50) = ( 0.4711538 -0.0000000 -0.0000000), wk = 0.0018248 k( 51) = ( 0.4807692 -0.0000000 -0.0000000), wk = 0.0018248 k( 52) = ( 0.4903846 -0.0000000 -0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0096311 -0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.0192621 -0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.0288932 -0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.0385243 -0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.0481553 -0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.0577864 -0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.0674175 -0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.0770485 -0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.0866796 -0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.0963107 -0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.1059417 -0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.1155728 -0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.1252038 -0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.1348349 -0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.1444660 -0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.1540970 -0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.1637281 -0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.1733592 -0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.1829902 -0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.1926213 -0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.2022524 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.2118834 -0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.2215145 -0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.2311456 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.2407766 -0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.2504077 -0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.2600388 -0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.2696698 -0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.2793009 -0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.2889320 -0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.2985630 -0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.3081941 -0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.3178251 -0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.3274562 -0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.3370873 -0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.3467183 -0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.3563494 -0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.3659805 -0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.3756115 -0.0000000), wk = 0.0018248 k( 94) = ( 0.5000000 0.3852426 -0.0000000), wk = 0.0018248 k( 95) = ( 0.5000000 0.3948737 -0.0000000), wk = 0.0018248 k( 96) = ( 0.5000000 0.4045047 -0.0000000), wk = 0.0018248 k( 97) = ( 0.5000000 0.4141358 -0.0000000), wk = 0.0018248 k( 98) = ( 0.5000000 0.4237669 -0.0000000), wk = 0.0018248 k( 99) = ( 0.5000000 0.4333979 -0.0000000), wk = 0.0018248 k( 100) = ( 0.5000000 0.4430290 -0.0000000), wk = 0.0018248 k( 101) = ( 0.5000000 0.4526601 -0.0000000), wk = 0.0018248 k( 102) = ( 0.5000000 0.4622911 -0.0000000), wk = 0.0018248 k( 103) = ( 0.5000000 0.4622911 -0.0000000), wk = 0.0018248 k( 104) = ( 0.4903846 0.4622911 -0.0000000), wk = 0.0018248 k( 105) = ( 0.4807692 0.4622911 -0.0000000), wk = 0.0018248 k( 106) = ( 0.4711538 0.4622911 -0.0000000), wk = 0.0018248 k( 107) = ( 0.4615385 0.4622911 -0.0000000), wk = 0.0018248 k( 108) = ( 0.4519231 0.4622911 -0.0000000), wk = 0.0018248 k( 109) = ( 0.4423077 0.4622911 -0.0000000), wk = 0.0018248 k( 110) = ( 0.4326923 0.4622911 -0.0000000), wk = 0.0018248 k( 111) = ( 0.4230769 0.4622911 -0.0000000), wk = 0.0018248 k( 112) = ( 0.4134615 0.4622911 -0.0000000), wk = 0.0018248 k( 113) = ( 0.4038462 0.4622911 -0.0000000), wk = 0.0018248 k( 114) = ( 0.3942308 0.4622911 -0.0000000), wk = 0.0018248 k( 115) = ( 0.3846154 0.4622911 -0.0000000), wk = 0.0018248 k( 116) = ( 0.3750000 0.4622911 -0.0000000), wk = 0.0018248 k( 117) = ( 0.3653846 0.4622911 -0.0000000), wk = 0.0018248 k( 118) = ( 0.3557692 0.4622911 -0.0000000), wk = 0.0018248 k( 119) = ( 0.3461538 0.4622911 -0.0000000), wk = 0.0018248 k( 120) = ( 0.3365385 0.4622911 -0.0000000), wk = 0.0018248 k( 121) = ( 0.3269231 0.4622911 -0.0000000), wk = 0.0018248 k( 122) = ( 0.3173077 0.4622911 -0.0000000), wk = 0.0018248 k( 123) = ( 0.3076923 0.4622911 -0.0000000), wk = 0.0018248 k( 124) = ( 0.2980769 0.4622911 -0.0000000), wk = 0.0018248 k( 125) = ( 0.2884615 0.4622911 -0.0000000), wk = 0.0018248 k( 126) = ( 0.2788462 0.4622911 -0.0000000), wk = 0.0018248 k( 127) = ( 0.2692308 0.4622911 -0.0000000), wk = 0.0018248 k( 128) = ( 0.2596154 0.4622911 -0.0000000), wk = 0.0018248 k( 129) = ( 0.2500000 0.4622911 -0.0000000), wk = 0.0018248 k( 130) = ( 0.2403846 0.4622911 -0.0000000), wk = 0.0018248 k( 131) = ( 0.2307692 0.4622911 -0.0000000), wk = 0.0018248 k( 132) = ( 0.2211539 0.4622911 -0.0000000), wk = 0.0018248 k( 133) = ( 0.2115385 0.4622911 -0.0000000), wk = 0.0018248 k( 134) = ( 0.2019231 0.4622911 -0.0000000), wk = 0.0018248 k( 135) = ( 0.1923077 0.4622911 -0.0000000), wk = 0.0018248 k( 136) = ( 0.1826923 0.4622911 -0.0000000), wk = 0.0018248 k( 137) = ( 0.1730769 0.4622911 -0.0000000), wk = 0.0018248 k( 138) = ( 0.1634615 0.4622911 -0.0000000), wk = 0.0018248 k( 139) = ( 0.1538461 0.4622911 -0.0000000), wk = 0.0018248 k( 140) = ( 0.1442308 0.4622911 -0.0000000), wk = 0.0018248 k( 141) = ( 0.1346154 0.4622911 -0.0000000), wk = 0.0018248 k( 142) = ( 0.1250000 0.4622911 -0.0000000), wk = 0.0018248 k( 143) = ( 0.1153846 0.4622911 -0.0000000), wk = 0.0018248 k( 144) = ( 0.1057692 0.4622911 -0.0000000), wk = 0.0018248 k( 145) = ( 0.0961538 0.4622911 -0.0000000), wk = 0.0018248 k( 146) = ( 0.0865385 0.4622911 -0.0000000), wk = 0.0018248 k( 147) = ( 0.0769231 0.4622911 -0.0000000), wk = 0.0018248 k( 148) = ( 0.0673077 0.4622911 -0.0000000), wk = 0.0018248 k( 149) = ( 0.0576923 0.4622911 -0.0000000), wk = 0.0018248 k( 150) = ( 0.0480769 0.4622911 -0.0000000), wk = 0.0018248 k( 151) = ( 0.0384615 0.4622911 -0.0000000), wk = 0.0018248 k( 152) = ( 0.0288462 0.4622911 -0.0000000), wk = 0.0018248 k( 153) = ( 0.0192308 0.4622911 -0.0000000), wk = 0.0018248 k( 154) = ( 0.0096154 0.4622911 -0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.4622911 -0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.4622911 -0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.4526601 -0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.4430290 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.4333979 -0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.4237669 -0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.4141358 -0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.4045047 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.3948737 -0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.3852426 -0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.3756115 -0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.3659805 -0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.3563494 -0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.3467183 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.3370873 -0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.3274562 -0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.3178251 -0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.3081941 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.2985630 -0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.2889320 -0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.2793009 -0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.2696698 -0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.2600388 -0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.2504077 -0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.2407766 -0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.2311456 -0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.2215145 -0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.2118834 -0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.2022524 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.1926213 -0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.1829902 -0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.1733592 -0.0000000), wk = 0.0018248 k( 187) = ( 0.0000000 0.1637281 -0.0000000), wk = 0.0018248 k( 188) = ( 0.0000000 0.1540970 -0.0000000), wk = 0.0018248 k( 189) = ( 0.0000000 0.1444660 -0.0000000), wk = 0.0018248 k( 190) = ( 0.0000000 0.1348349 -0.0000000), wk = 0.0018248 k( 191) = ( 0.0000000 0.1252038 -0.0000000), wk = 0.0018248 k( 192) = ( 0.0000000 0.1155728 -0.0000000), wk = 0.0018248 k( 193) = ( 0.0000000 0.1059417 -0.0000000), wk = 0.0018248 k( 194) = ( 0.0000000 0.0963107 -0.0000000), wk = 0.0018248 k( 195) = ( 0.0000000 0.0866796 -0.0000000), wk = 0.0018248 k( 196) = ( 0.0000000 0.0770485 -0.0000000), wk = 0.0018248 k( 197) = ( 0.0000000 0.0674175 -0.0000000), wk = 0.0018248 k( 198) = ( 0.0000000 0.0577864 -0.0000000), wk = 0.0018248 k( 199) = ( 0.0000000 0.0481553 -0.0000000), wk = 0.0018248 k( 200) = ( 0.0000000 0.0385243 -0.0000000), wk = 0.0018248 k( 201) = ( 0.0000000 0.0288932 -0.0000000), wk = 0.0018248 k( 202) = ( 0.0000000 0.0192621 -0.0000000), wk = 0.0018248 k( 203) = ( 0.0000000 0.0096311 -0.0000000), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.0094745), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.0189491), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.0284236), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.0378982), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.0473727), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.0568472), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.0663218), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.0757963), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.0852709), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.0947454), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.1042199), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.1136945), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.1231690), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.1326436), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.1421181), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.1515927), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.1610672), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.1705417), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.1800163), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.1894908), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.1989654), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.2084399), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.2179144), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.2273890), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.2368635), wk = 0.0018248 k( 231) = ( 0.0000000 0.0000000 0.2463381), wk = 0.0018248 k( 232) = ( 0.0000000 0.0000000 0.2558126), wk = 0.0018248 k( 233) = ( 0.0000000 0.0000000 0.2652871), wk = 0.0018248 k( 234) = ( 0.0000000 0.0000000 0.2747617), wk = 0.0018248 k( 235) = ( 0.0000000 0.0000000 0.2842362), wk = 0.0018248 k( 236) = ( 0.0000000 0.0000000 0.2937108), wk = 0.0018248 k( 237) = ( 0.0000000 0.0000000 0.3031853), wk = 0.0018248 k( 238) = ( 0.0000000 0.0000000 0.3126598), wk = 0.0018248 k( 239) = ( 0.0000000 0.0000000 0.3221344), wk = 0.0018248 k( 240) = ( 0.0000000 0.0000000 0.3221344), wk = 0.0018248 k( 241) = ( 0.0096154 -0.0000000 0.3221344), wk = 0.0018248 k( 242) = ( 0.0192308 -0.0000000 0.3221344), wk = 0.0018248 k( 243) = ( 0.0288462 -0.0000000 0.3221344), wk = 0.0018248 k( 244) = ( 0.0384615 -0.0000000 0.3221344), wk = 0.0018248 k( 245) = ( 0.0480769 -0.0000000 0.3221344), wk = 0.0018248 k( 246) = ( 0.0576923 -0.0000000 0.3221344), wk = 0.0018248 k( 247) = ( 0.0673077 -0.0000000 0.3221344), wk = 0.0018248 k( 248) = ( 0.0769231 -0.0000000 0.3221344), wk = 0.0018248 k( 249) = ( 0.0865385 -0.0000000 0.3221344), wk = 0.0018248 k( 250) = ( 0.0961538 -0.0000000 0.3221344), wk = 0.0018248 k( 251) = ( 0.1057692 -0.0000000 0.3221344), wk = 0.0018248 k( 252) = ( 0.1153846 -0.0000000 0.3221344), wk = 0.0018248 k( 253) = ( 0.1250000 -0.0000000 0.3221344), wk = 0.0018248 k( 254) = ( 0.1346154 -0.0000000 0.3221344), wk = 0.0018248 k( 255) = ( 0.1442308 -0.0000000 0.3221344), wk = 0.0018248 k( 256) = ( 0.1538461 -0.0000000 0.3221344), wk = 0.0018248 k( 257) = ( 0.1634615 -0.0000000 0.3221344), wk = 0.0018248 k( 258) = ( 0.1730769 -0.0000000 0.3221344), wk = 0.0018248 k( 259) = ( 0.1826923 -0.0000000 0.3221344), wk = 0.0018248 k( 260) = ( 0.1923077 -0.0000000 0.3221344), wk = 0.0018248 k( 261) = ( 0.2019231 -0.0000000 0.3221344), wk = 0.0018248 k( 262) = ( 0.2115385 -0.0000000 0.3221344), wk = 0.0018248 k( 263) = ( 0.2211539 -0.0000000 0.3221344), wk = 0.0018248 k( 264) = ( 0.2307692 -0.0000000 0.3221344), wk = 0.0018248 k( 265) = ( 0.2403846 -0.0000000 0.3221344), wk = 0.0018248 k( 266) = ( 0.2500000 -0.0000000 0.3221344), wk = 0.0018248 k( 267) = ( 0.2596154 -0.0000000 0.3221344), wk = 0.0018248 k( 268) = ( 0.2692308 -0.0000000 0.3221344), wk = 0.0018248 k( 269) = ( 0.2788462 -0.0000000 0.3221344), wk = 0.0018248 k( 270) = ( 0.2884615 -0.0000000 0.3221344), wk = 0.0018248 k( 271) = ( 0.2980769 -0.0000000 0.3221344), wk = 0.0018248 k( 272) = ( 0.3076923 -0.0000000 0.3221344), wk = 0.0018248 k( 273) = ( 0.3173077 -0.0000000 0.3221344), wk = 0.0018248 k( 274) = ( 0.3269231 -0.0000000 0.3221344), wk = 0.0018248 k( 275) = ( 0.3365385 -0.0000000 0.3221344), wk = 0.0018248 k( 276) = ( 0.3461538 -0.0000000 0.3221344), wk = 0.0018248 k( 277) = ( 0.3557692 -0.0000000 0.3221344), wk = 0.0018248 k( 278) = ( 0.3653846 -0.0000000 0.3221344), wk = 0.0018248 k( 279) = ( 0.3750000 -0.0000000 0.3221344), wk = 0.0018248 k( 280) = ( 0.3846154 -0.0000000 0.3221344), wk = 0.0018248 k( 281) = ( 0.3942308 -0.0000000 0.3221344), wk = 0.0018248 k( 282) = ( 0.4038462 -0.0000000 0.3221344), wk = 0.0018248 k( 283) = ( 0.4134615 -0.0000000 0.3221344), wk = 0.0018248 k( 284) = ( 0.4230769 -0.0000000 0.3221344), wk = 0.0018248 k( 285) = ( 0.4326923 -0.0000000 0.3221344), wk = 0.0018248 k( 286) = ( 0.4423077 -0.0000000 0.3221344), wk = 0.0018248 k( 287) = ( 0.4519231 -0.0000000 0.3221344), wk = 0.0018248 k( 288) = ( 0.4615385 -0.0000000 0.3221344), wk = 0.0018248 k( 289) = ( 0.4711538 -0.0000000 0.3221344), wk = 0.0018248 k( 290) = ( 0.4807692 -0.0000000 0.3221344), wk = 0.0018248 k( 291) = ( 0.4903846 -0.0000000 0.3221344), wk = 0.0018248 k( 292) = ( 0.5000000 -0.0000000 0.3221344), wk = 0.0018248 k( 293) = ( 0.5000000 -0.0000000 0.3221344), wk = 0.0018248 k( 294) = ( 0.5000000 0.0096311 0.3221344), wk = 0.0018248 k( 295) = ( 0.5000000 0.0192621 0.3221344), wk = 0.0018248 k( 296) = ( 0.5000000 0.0288932 0.3221344), wk = 0.0018248 k( 297) = ( 0.5000000 0.0385243 0.3221344), wk = 0.0018248 k( 298) = ( 0.5000000 0.0481553 0.3221344), wk = 0.0018248 k( 299) = ( 0.5000000 0.0577864 0.3221344), wk = 0.0018248 k( 300) = ( 0.5000000 0.0674175 0.3221344), wk = 0.0018248 k( 301) = ( 0.5000000 0.0770485 0.3221344), wk = 0.0018248 k( 302) = ( 0.5000000 0.0866796 0.3221344), wk = 0.0018248 k( 303) = ( 0.5000000 0.0963107 0.3221344), wk = 0.0018248 k( 304) = ( 0.5000000 0.1059417 0.3221344), wk = 0.0018248 k( 305) = ( 0.5000000 0.1155728 0.3221344), wk = 0.0018248 k( 306) = ( 0.5000000 0.1252038 0.3221344), wk = 0.0018248 k( 307) = ( 0.5000000 0.1348349 0.3221344), wk = 0.0018248 k( 308) = ( 0.5000000 0.1444660 0.3221344), wk = 0.0018248 k( 309) = ( 0.5000000 0.1540970 0.3221344), wk = 0.0018248 k( 310) = ( 0.5000000 0.1637281 0.3221344), wk = 0.0018248 k( 311) = ( 0.5000000 0.1733592 0.3221344), wk = 0.0018248 k( 312) = ( 0.5000000 0.1829902 0.3221344), wk = 0.0018248 k( 313) = ( 0.5000000 0.1926213 0.3221344), wk = 0.0018248 k( 314) = ( 0.5000000 0.2022524 0.3221344), wk = 0.0018248 k( 315) = ( 0.5000000 0.2118834 0.3221344), wk = 0.0018248 k( 316) = ( 0.5000000 0.2215145 0.3221344), wk = 0.0018248 k( 317) = ( 0.5000000 0.2311456 0.3221344), wk = 0.0018248 k( 318) = ( 0.5000000 0.2407766 0.3221344), wk = 0.0018248 k( 319) = ( 0.5000000 0.2504077 0.3221344), wk = 0.0018248 k( 320) = ( 0.5000000 0.2600388 0.3221344), wk = 0.0018248 k( 321) = ( 0.5000000 0.2696698 0.3221344), wk = 0.0018248 k( 322) = ( 0.5000000 0.2793009 0.3221344), wk = 0.0018248 k( 323) = ( 0.5000000 0.2889320 0.3221344), wk = 0.0018248 k( 324) = ( 0.5000000 0.2985630 0.3221344), wk = 0.0018248 k( 325) = ( 0.5000000 0.3081941 0.3221344), wk = 0.0018248 k( 326) = ( 0.5000000 0.3178251 0.3221344), wk = 0.0018248 k( 327) = ( 0.5000000 0.3274562 0.3221344), wk = 0.0018248 k( 328) = ( 0.5000000 0.3370873 0.3221344), wk = 0.0018248 k( 329) = ( 0.5000000 0.3467183 0.3221344), wk = 0.0018248 k( 330) = ( 0.5000000 0.3563494 0.3221344), wk = 0.0018248 k( 331) = ( 0.5000000 0.3659805 0.3221344), wk = 0.0018248 k( 332) = ( 0.5000000 0.3756115 0.3221344), wk = 0.0018248 k( 333) = ( 0.5000000 0.3852426 0.3221344), wk = 0.0018248 k( 334) = ( 0.5000000 0.3948737 0.3221344), wk = 0.0018248 k( 335) = ( 0.5000000 0.4045047 0.3221344), wk = 0.0018248 k( 336) = ( 0.5000000 0.4141358 0.3221344), wk = 0.0018248 k( 337) = ( 0.5000000 0.4237669 0.3221344), wk = 0.0018248 k( 338) = ( 0.5000000 0.4333979 0.3221344), wk = 0.0018248 k( 339) = ( 0.5000000 0.4430290 0.3221344), wk = 0.0018248 k( 340) = ( 0.5000000 0.4526601 0.3221344), wk = 0.0018248 k( 341) = ( 0.5000000 0.4622911 0.3221344), wk = 0.0018248 k( 342) = ( 0.5000000 0.4622911 0.3221344), wk = 0.0018248 k( 343) = ( 0.4903846 0.4622911 0.3221344), wk = 0.0018248 k( 344) = ( 0.4807692 0.4622911 0.3221344), wk = 0.0018248 k( 345) = ( 0.4711538 0.4622911 0.3221344), wk = 0.0018248 k( 346) = ( 0.4615385 0.4622911 0.3221344), wk = 0.0018248 k( 347) = ( 0.4519231 0.4622911 0.3221344), wk = 0.0018248 k( 348) = ( 0.4423077 0.4622911 0.3221344), wk = 0.0018248 k( 349) = ( 0.4326923 0.4622911 0.3221344), wk = 0.0018248 k( 350) = ( 0.4230769 0.4622911 0.3221344), wk = 0.0018248 k( 351) = ( 0.4134615 0.4622911 0.3221344), wk = 0.0018248 k( 352) = ( 0.4038462 0.4622911 0.3221344), wk = 0.0018248 k( 353) = ( 0.3942308 0.4622911 0.3221344), wk = 0.0018248 k( 354) = ( 0.3846154 0.4622911 0.3221344), wk = 0.0018248 k( 355) = ( 0.3750000 0.4622911 0.3221344), wk = 0.0018248 k( 356) = ( 0.3653846 0.4622911 0.3221344), wk = 0.0018248 k( 357) = ( 0.3557692 0.4622911 0.3221344), wk = 0.0018248 k( 358) = ( 0.3461538 0.4622911 0.3221344), wk = 0.0018248 k( 359) = ( 0.3365385 0.4622911 0.3221344), wk = 0.0018248 k( 360) = ( 0.3269231 0.4622911 0.3221344), wk = 0.0018248 k( 361) = ( 0.3173077 0.4622911 0.3221344), wk = 0.0018248 k( 362) = ( 0.3076923 0.4622911 0.3221344), wk = 0.0018248 k( 363) = ( 0.2980769 0.4622911 0.3221344), wk = 0.0018248 k( 364) = ( 0.2884615 0.4622911 0.3221344), wk = 0.0018248 k( 365) = ( 0.2788462 0.4622911 0.3221344), wk = 0.0018248 k( 366) = ( 0.2692308 0.4622911 0.3221344), wk = 0.0018248 k( 367) = ( 0.2596154 0.4622911 0.3221344), wk = 0.0018248 k( 368) = ( 0.2500000 0.4622911 0.3221344), wk = 0.0018248 k( 369) = ( 0.2403846 0.4622911 0.3221344), wk = 0.0018248 k( 370) = ( 0.2307692 0.4622911 0.3221344), wk = 0.0018248 k( 371) = ( 0.2211539 0.4622911 0.3221344), wk = 0.0018248 k( 372) = ( 0.2115385 0.4622911 0.3221344), wk = 0.0018248 k( 373) = ( 0.2019231 0.4622911 0.3221344), wk = 0.0018248 k( 374) = ( 0.1923077 0.4622911 0.3221344), wk = 0.0018248 k( 375) = ( 0.1826923 0.4622911 0.3221344), wk = 0.0018248 k( 376) = ( 0.1730769 0.4622911 0.3221344), wk = 0.0018248 k( 377) = ( 0.1634615 0.4622911 0.3221344), wk = 0.0018248 k( 378) = ( 0.1538461 0.4622911 0.3221344), wk = 0.0018248 k( 379) = ( 0.1442308 0.4622911 0.3221344), wk = 0.0018248 k( 380) = ( 0.1346154 0.4622911 0.3221344), wk = 0.0018248 k( 381) = ( 0.1250000 0.4622911 0.3221344), wk = 0.0018248 k( 382) = ( 0.1153846 0.4622911 0.3221344), wk = 0.0018248 k( 383) = ( 0.1057692 0.4622911 0.3221344), wk = 0.0018248 k( 384) = ( 0.0961538 0.4622911 0.3221344), wk = 0.0018248 k( 385) = ( 0.0865385 0.4622911 0.3221344), wk = 0.0018248 k( 386) = ( 0.0769231 0.4622911 0.3221344), wk = 0.0018248 k( 387) = ( 0.0673077 0.4622911 0.3221344), wk = 0.0018248 k( 388) = ( 0.0576923 0.4622911 0.3221344), wk = 0.0018248 k( 389) = ( 0.0480769 0.4622911 0.3221344), wk = 0.0018248 k( 390) = ( 0.0384615 0.4622911 0.3221344), wk = 0.0018248 k( 391) = ( 0.0288462 0.4622911 0.3221344), wk = 0.0018248 k( 392) = ( 0.0192308 0.4622911 0.3221344), wk = 0.0018248 k( 393) = ( 0.0096154 0.4622911 0.3221344), wk = 0.0018248 k( 394) = ( 0.0000000 0.4622911 0.3221344), wk = 0.0018248 k( 395) = ( 0.0000000 0.4622911 0.3221344), wk = 0.0018248 k( 396) = ( 0.0000000 0.4526601 0.3221344), wk = 0.0018248 k( 397) = ( 0.0000000 0.4430290 0.3221344), wk = 0.0018248 k( 398) = ( 0.0000000 0.4333979 0.3221344), wk = 0.0018248 k( 399) = ( 0.0000000 0.4237669 0.3221344), wk = 0.0018248 k( 400) = ( 0.0000000 0.4141358 0.3221344), wk = 0.0018248 k( 401) = ( 0.0000000 0.4045047 0.3221344), wk = 0.0018248 k( 402) = ( 0.0000000 0.3948737 0.3221344), wk = 0.0018248 k( 403) = ( 0.0000000 0.3852426 0.3221344), wk = 0.0018248 k( 404) = ( 0.0000000 0.3756115 0.3221344), wk = 0.0018248 k( 405) = ( 0.0000000 0.3659805 0.3221344), wk = 0.0018248 k( 406) = ( 0.0000000 0.3563494 0.3221344), wk = 0.0018248 k( 407) = ( 0.0000000 0.3467183 0.3221344), wk = 0.0018248 k( 408) = ( 0.0000000 0.3370873 0.3221344), wk = 0.0018248 k( 409) = ( 0.0000000 0.3274562 0.3221344), wk = 0.0018248 k( 410) = ( 0.0000000 0.3178251 0.3221344), wk = 0.0018248 k( 411) = ( 0.0000000 0.3081941 0.3221344), wk = 0.0018248 k( 412) = ( 0.0000000 0.2985630 0.3221344), wk = 0.0018248 k( 413) = ( 0.0000000 0.2889320 0.3221344), wk = 0.0018248 k( 414) = ( 0.0000000 0.2793009 0.3221344), wk = 0.0018248 k( 415) = ( 0.0000000 0.2696698 0.3221344), wk = 0.0018248 k( 416) = ( 0.0000000 0.2600388 0.3221344), wk = 0.0018248 k( 417) = ( 0.0000000 0.2504077 0.3221344), wk = 0.0018248 k( 418) = ( 0.0000000 0.2407766 0.3221344), wk = 0.0018248 k( 419) = ( 0.0000000 0.2311456 0.3221344), wk = 0.0018248 k( 420) = ( 0.0000000 0.2215145 0.3221344), wk = 0.0018248 k( 421) = ( 0.0000000 0.2118834 0.3221344), wk = 0.0018248 k( 422) = ( 0.0000000 0.2022524 0.3221344), wk = 0.0018248 k( 423) = ( 0.0000000 0.1926213 0.3221344), wk = 0.0018248 k( 424) = ( 0.0000000 0.1829902 0.3221344), wk = 0.0018248 k( 425) = ( 0.0000000 0.1733592 0.3221344), wk = 0.0018248 k( 426) = ( 0.0000000 0.1637281 0.3221344), wk = 0.0018248 k( 427) = ( 0.0000000 0.1540970 0.3221344), wk = 0.0018248 k( 428) = ( 0.0000000 0.1444660 0.3221344), wk = 0.0018248 k( 429) = ( 0.0000000 0.1348349 0.3221344), wk = 0.0018248 k( 430) = ( 0.0000000 0.1252038 0.3221344), wk = 0.0018248 k( 431) = ( 0.0000000 0.1155728 0.3221344), wk = 0.0018248 k( 432) = ( 0.0000000 0.1059417 0.3221344), wk = 0.0018248 k( 433) = ( 0.0000000 0.0963107 0.3221344), wk = 0.0018248 k( 434) = ( 0.0000000 0.0866796 0.3221344), wk = 0.0018248 k( 435) = ( 0.0000000 0.0770485 0.3221344), wk = 0.0018248 k( 436) = ( 0.0000000 0.0674175 0.3221344), wk = 0.0018248 k( 437) = ( 0.0000000 0.0577864 0.3221344), wk = 0.0018248 k( 438) = ( 0.0000000 0.0481553 0.3221344), wk = 0.0018248 k( 439) = ( 0.0000000 0.0385243 0.3221344), wk = 0.0018248 k( 440) = ( 0.0000000 0.0288932 0.3221344), wk = 0.0018248 k( 441) = ( 0.0000000 0.0192621 0.3221344), wk = 0.0018248 k( 442) = ( 0.0000000 0.0096311 0.3221344), wk = 0.0018248 k( 443) = ( 0.0000000 0.0000000 0.3221344), wk = 0.0018248 k( 444) = ( 0.0000000 0.4622911 -0.0000000), wk = 0.0018248 k( 445) = ( 0.0000000 0.4622911 0.0094745), wk = 0.0018248 k( 446) = ( 0.0000000 0.4622911 0.0189491), wk = 0.0018248 k( 447) = ( 0.0000000 0.4622911 0.0284236), wk = 0.0018248 k( 448) = ( 0.0000000 0.4622911 0.0378982), wk = 0.0018248 k( 449) = ( 0.0000000 0.4622911 0.0473727), wk = 0.0018248 k( 450) = ( 0.0000000 0.4622911 0.0568472), wk = 0.0018248 k( 451) = ( 0.0000000 0.4622911 0.0663218), wk = 0.0018248 k( 452) = ( 0.0000000 0.4622911 0.0757963), wk = 0.0018248 k( 453) = ( 0.0000000 0.4622911 0.0852709), wk = 0.0018248 k( 454) = ( 0.0000000 0.4622911 0.0947454), wk = 0.0018248 k( 455) = ( 0.0000000 0.4622911 0.1042199), wk = 0.0018248 k( 456) = ( 0.0000000 0.4622911 0.1136945), wk = 0.0018248 k( 457) = ( 0.0000000 0.4622911 0.1231690), wk = 0.0018248 k( 458) = ( 0.0000000 0.4622911 0.1326436), wk = 0.0018248 k( 459) = ( 0.0000000 0.4622911 0.1421181), wk = 0.0018248 k( 460) = ( 0.0000000 0.4622911 0.1515927), wk = 0.0018248 k( 461) = ( 0.0000000 0.4622911 0.1610672), wk = 0.0018248 k( 462) = ( 0.0000000 0.4622911 0.1705417), wk = 0.0018248 k( 463) = ( 0.0000000 0.4622911 0.1800163), wk = 0.0018248 k( 464) = ( 0.0000000 0.4622911 0.1894908), wk = 0.0018248 k( 465) = ( 0.0000000 0.4622911 0.1989654), wk = 0.0018248 k( 466) = ( 0.0000000 0.4622911 0.2084399), wk = 0.0018248 k( 467) = ( 0.0000000 0.4622911 0.2179144), wk = 0.0018248 k( 468) = ( 0.0000000 0.4622911 0.2273890), wk = 0.0018248 k( 469) = ( 0.0000000 0.4622911 0.2368635), wk = 0.0018248 k( 470) = ( 0.0000000 0.4622911 0.2463381), wk = 0.0018248 k( 471) = ( 0.0000000 0.4622911 0.2558126), wk = 0.0018248 k( 472) = ( 0.0000000 0.4622911 0.2652871), wk = 0.0018248 k( 473) = ( 0.0000000 0.4622911 0.2747617), wk = 0.0018248 k( 474) = ( 0.0000000 0.4622911 0.2842362), wk = 0.0018248 k( 475) = ( 0.0000000 0.4622911 0.2937108), wk = 0.0018248 k( 476) = ( 0.0000000 0.4622911 0.3031853), wk = 0.0018248 k( 477) = ( 0.0000000 0.4622911 0.3126598), wk = 0.0018248 k( 478) = ( 0.0000000 0.4622911 0.3221344), wk = 0.0018248 k( 479) = ( 0.5000000 -0.0000000 0.3221344), wk = 0.0018248 k( 480) = ( 0.5000000 -0.0000000 0.3126598), wk = 0.0018248 k( 481) = ( 0.5000000 -0.0000000 0.3031853), wk = 0.0018248 k( 482) = ( 0.5000000 -0.0000000 0.2937108), wk = 0.0018248 k( 483) = ( 0.5000000 -0.0000000 0.2842362), wk = 0.0018248 k( 484) = ( 0.5000000 -0.0000000 0.2747617), wk = 0.0018248 k( 485) = ( 0.5000000 -0.0000000 0.2652871), wk = 0.0018248 k( 486) = ( 0.5000000 -0.0000000 0.2558126), wk = 0.0018248 k( 487) = ( 0.5000000 -0.0000000 0.2463381), wk = 0.0018248 k( 488) = ( 0.5000000 -0.0000000 0.2368635), wk = 0.0018248 k( 489) = ( 0.5000000 -0.0000000 0.2273890), wk = 0.0018248 k( 490) = ( 0.5000000 -0.0000000 0.2179144), wk = 0.0018248 k( 491) = ( 0.5000000 -0.0000000 0.2084399), wk = 0.0018248 k( 492) = ( 0.5000000 -0.0000000 0.1989654), wk = 0.0018248 k( 493) = ( 0.5000000 -0.0000000 0.1894908), wk = 0.0018248 k( 494) = ( 0.5000000 -0.0000000 0.1800163), wk = 0.0018248 k( 495) = ( 0.5000000 -0.0000000 0.1705417), wk = 0.0018248 k( 496) = ( 0.5000000 -0.0000000 0.1610672), wk = 0.0018248 k( 497) = ( 0.5000000 -0.0000000 0.1515927), wk = 0.0018248 k( 498) = ( 0.5000000 -0.0000000 0.1421181), wk = 0.0018248 k( 499) = ( 0.5000000 -0.0000000 0.1326436), wk = 0.0018248 k( 500) = ( 0.5000000 -0.0000000 0.1231690), wk = 0.0018248 k( 501) = ( 0.5000000 -0.0000000 0.1136945), wk = 0.0018248 k( 502) = ( 0.5000000 -0.0000000 0.1042199), wk = 0.0018248 k( 503) = ( 0.5000000 -0.0000000 0.0947454), wk = 0.0018248 k( 504) = ( 0.5000000 -0.0000000 0.0852709), wk = 0.0018248 k( 505) = ( 0.5000000 -0.0000000 0.0757963), wk = 0.0018248 k( 506) = ( 0.5000000 -0.0000000 0.0663218), wk = 0.0018248 k( 507) = ( 0.5000000 -0.0000000 0.0568472), wk = 0.0018248 k( 508) = ( 0.5000000 -0.0000000 0.0473727), wk = 0.0018248 k( 509) = ( 0.5000000 -0.0000000 0.0378982), wk = 0.0018248 k( 510) = ( 0.5000000 -0.0000000 0.0284236), wk = 0.0018248 k( 511) = ( 0.5000000 -0.0000000 0.0189491), wk = 0.0018248 k( 512) = ( 0.5000000 -0.0000000 0.0094745), wk = 0.0018248 k( 513) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0018248 k( 514) = ( 0.5000000 0.4622911 -0.0000000), wk = 0.0018248 k( 515) = ( 0.5000000 0.4622911 0.0094745), wk = 0.0018248 k( 516) = ( 0.5000000 0.4622911 0.0189491), wk = 0.0018248 k( 517) = ( 0.5000000 0.4622911 0.0284236), wk = 0.0018248 k( 518) = ( 0.5000000 0.4622911 0.0378982), wk = 0.0018248 k( 519) = ( 0.5000000 0.4622911 0.0473727), wk = 0.0018248 k( 520) = ( 0.5000000 0.4622911 0.0568472), wk = 0.0018248 k( 521) = ( 0.5000000 0.4622911 0.0663218), wk = 0.0018248 k( 522) = ( 0.5000000 0.4622911 0.0757963), wk = 0.0018248 k( 523) = ( 0.5000000 0.4622911 0.0852709), wk = 0.0018248 k( 524) = ( 0.5000000 0.4622911 0.0947454), wk = 0.0018248 k( 525) = ( 0.5000000 0.4622911 0.1042199), wk = 0.0018248 k( 526) = ( 0.5000000 0.4622911 0.1136945), wk = 0.0018248 k( 527) = ( 0.5000000 0.4622911 0.1231690), wk = 0.0018248 k( 528) = ( 0.5000000 0.4622911 0.1326436), wk = 0.0018248 k( 529) = ( 0.5000000 0.4622911 0.1421181), wk = 0.0018248 k( 530) = ( 0.5000000 0.4622911 0.1515927), wk = 0.0018248 k( 531) = ( 0.5000000 0.4622911 0.1610672), wk = 0.0018248 k( 532) = ( 0.5000000 0.4622911 0.1705417), wk = 0.0018248 k( 533) = ( 0.5000000 0.4622911 0.1800163), wk = 0.0018248 k( 534) = ( 0.5000000 0.4622911 0.1894908), wk = 0.0018248 k( 535) = ( 0.5000000 0.4622911 0.1989654), wk = 0.0018248 k( 536) = ( 0.5000000 0.4622911 0.2084399), wk = 0.0018248 k( 537) = ( 0.5000000 0.4622911 0.2179144), wk = 0.0018248 k( 538) = ( 0.5000000 0.4622911 0.2273890), wk = 0.0018248 k( 539) = ( 0.5000000 0.4622911 0.2368635), wk = 0.0018248 k( 540) = ( 0.5000000 0.4622911 0.2463381), wk = 0.0018248 k( 541) = ( 0.5000000 0.4622911 0.2558126), wk = 0.0018248 k( 542) = ( 0.5000000 0.4622911 0.2652871), wk = 0.0018248 k( 543) = ( 0.5000000 0.4622911 0.2747617), wk = 0.0018248 k( 544) = ( 0.5000000 0.4622911 0.2842362), wk = 0.0018248 k( 545) = ( 0.5000000 0.4622911 0.2937108), wk = 0.0018248 k( 546) = ( 0.5000000 0.4622911 0.3031853), wk = 0.0018248 k( 547) = ( 0.5000000 0.4622911 0.3126598), wk = 0.0018248 k( 548) = ( 0.5000000 0.4622911 0.3221344), wk = 0.0018248 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 2) = ( 0.0096154 0.0000000 0.0000000), wk = 0.0018248 k( 3) = ( 0.0192308 0.0000000 0.0000000), wk = 0.0018248 k( 4) = ( 0.0288462 0.0000000 0.0000000), wk = 0.0018248 k( 5) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0018248 k( 6) = ( 0.0480769 0.0000000 0.0000000), wk = 0.0018248 k( 7) = ( 0.0576923 0.0000000 0.0000000), wk = 0.0018248 k( 8) = ( 0.0673077 0.0000000 0.0000000), wk = 0.0018248 k( 9) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0018248 k( 10) = ( 0.0865385 0.0000000 0.0000000), wk = 0.0018248 k( 11) = ( 0.0961538 0.0000000 0.0000000), wk = 0.0018248 k( 12) = ( 0.1057692 0.0000000 0.0000000), wk = 0.0018248 k( 13) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0018248 k( 14) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0018248 k( 15) = ( 0.1346154 0.0000000 0.0000000), wk = 0.0018248 k( 16) = ( 0.1442308 -0.0000000 0.0000000), wk = 0.0018248 k( 17) = ( 0.1538461 -0.0000000 0.0000000), wk = 0.0018248 k( 18) = ( 0.1634615 0.0000000 0.0000000), wk = 0.0018248 k( 19) = ( 0.1730769 0.0000000 0.0000000), wk = 0.0018248 k( 20) = ( 0.1826923 0.0000000 0.0000000), wk = 0.0018248 k( 21) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0018248 k( 22) = ( 0.2019231 0.0000000 0.0000000), wk = 0.0018248 k( 23) = ( 0.2115385 0.0000000 0.0000000), wk = 0.0018248 k( 24) = ( 0.2211539 0.0000000 0.0000000), wk = 0.0018248 k( 25) = ( 0.2307692 -0.0000000 0.0000000), wk = 0.0018248 k( 26) = ( 0.2403846 0.0000000 0.0000000), wk = 0.0018248 k( 27) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0018248 k( 28) = ( 0.2596154 0.0000000 0.0000000), wk = 0.0018248 k( 29) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0018248 k( 30) = ( 0.2788462 0.0000000 0.0000000), wk = 0.0018248 k( 31) = ( 0.2884615 -0.0000000 0.0000000), wk = 0.0018248 k( 32) = ( 0.2980769 0.0000000 0.0000000), wk = 0.0018248 k( 33) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0018248 k( 34) = ( 0.3173077 0.0000000 0.0000000), wk = 0.0018248 k( 35) = ( 0.3269231 0.0000000 0.0000000), wk = 0.0018248 k( 36) = ( 0.3365385 0.0000000 0.0000000), wk = 0.0018248 k( 37) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0018248 k( 38) = ( 0.3557692 0.0000000 0.0000000), wk = 0.0018248 k( 39) = ( 0.3653846 0.0000000 0.0000000), wk = 0.0018248 k( 40) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0018248 k( 41) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0018248 k( 42) = ( 0.3942308 0.0000000 0.0000000), wk = 0.0018248 k( 43) = ( 0.4038462 -0.0000000 0.0000000), wk = 0.0018248 k( 44) = ( 0.4134615 0.0000000 0.0000000), wk = 0.0018248 k( 45) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0018248 k( 46) = ( 0.4326923 0.0000000 0.0000000), wk = 0.0018248 k( 47) = ( 0.4423077 0.0000000 0.0000000), wk = 0.0018248 k( 48) = ( 0.4519231 0.0000000 0.0000000), wk = 0.0018248 k( 49) = ( 0.4615385 -0.0000000 0.0000000), wk = 0.0018248 k( 50) = ( 0.4711538 -0.0000000 0.0000000), wk = 0.0018248 k( 51) = ( 0.4807692 0.0000000 0.0000000), wk = 0.0018248 k( 52) = ( 0.4903846 0.0000000 0.0000000), wk = 0.0018248 k( 53) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 54) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 55) = ( 0.5000000 0.0104167 0.0000000), wk = 0.0018248 k( 56) = ( 0.5000000 0.0208333 0.0000000), wk = 0.0018248 k( 57) = ( 0.5000000 0.0312500 0.0000000), wk = 0.0018248 k( 58) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0018248 k( 59) = ( 0.5000000 0.0520833 0.0000000), wk = 0.0018248 k( 60) = ( 0.5000000 0.0625000 0.0000000), wk = 0.0018248 k( 61) = ( 0.5000000 0.0729167 0.0000000), wk = 0.0018248 k( 62) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0018248 k( 63) = ( 0.5000000 0.0937500 0.0000000), wk = 0.0018248 k( 64) = ( 0.5000000 0.1041667 0.0000000), wk = 0.0018248 k( 65) = ( 0.5000000 0.1145833 0.0000000), wk = 0.0018248 k( 66) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0018248 k( 67) = ( 0.5000000 0.1354167 0.0000000), wk = 0.0018248 k( 68) = ( 0.5000000 0.1458333 0.0000000), wk = 0.0018248 k( 69) = ( 0.5000000 0.1562500 0.0000000), wk = 0.0018248 k( 70) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0018248 k( 71) = ( 0.5000000 0.1770833 0.0000000), wk = 0.0018248 k( 72) = ( 0.5000000 0.1875000 0.0000000), wk = 0.0018248 k( 73) = ( 0.5000000 0.1979167 0.0000000), wk = 0.0018248 k( 74) = ( 0.5000000 0.2083333 0.0000000), wk = 0.0018248 k( 75) = ( 0.5000000 0.2187500 -0.0000000), wk = 0.0018248 k( 76) = ( 0.5000000 0.2291667 0.0000000), wk = 0.0018248 k( 77) = ( 0.5000000 0.2395833 0.0000000), wk = 0.0018248 k( 78) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0018248 k( 79) = ( 0.5000000 0.2604167 0.0000000), wk = 0.0018248 k( 80) = ( 0.5000000 0.2708333 0.0000000), wk = 0.0018248 k( 81) = ( 0.5000000 0.2812500 0.0000000), wk = 0.0018248 k( 82) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0018248 k( 83) = ( 0.5000000 0.3020833 0.0000000), wk = 0.0018248 k( 84) = ( 0.5000000 0.3125000 0.0000000), wk = 0.0018248 k( 85) = ( 0.5000000 0.3229167 0.0000000), wk = 0.0018248 k( 86) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0018248 k( 87) = ( 0.5000000 0.3437500 0.0000000), wk = 0.0018248 k( 88) = ( 0.5000000 0.3541667 0.0000000), wk = 0.0018248 k( 89) = ( 0.5000000 0.3645833 0.0000000), wk = 0.0018248 k( 90) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0018248 k( 91) = ( 0.5000000 0.3854167 0.0000000), wk = 0.0018248 k( 92) = ( 0.5000000 0.3958333 0.0000000), wk = 0.0018248 k( 93) = ( 0.5000000 0.4062500 -0.0000000), wk = 0.0018248 k( 94) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0018248 k( 95) = ( 0.5000000 0.4270833 0.0000000), wk = 0.0018248 k( 96) = ( 0.5000000 0.4375000 0.0000000), wk = 0.0018248 k( 97) = ( 0.5000000 0.4479167 -0.0000000), wk = 0.0018248 k( 98) = ( 0.5000000 0.4583333 0.0000000), wk = 0.0018248 k( 99) = ( 0.5000000 0.4687500 0.0000000), wk = 0.0018248 k( 100) = ( 0.5000000 0.4791667 -0.0000000), wk = 0.0018248 k( 101) = ( 0.5000000 0.4895833 0.0000000), wk = 0.0018248 k( 102) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 103) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 104) = ( 0.4903846 0.5000000 0.0000000), wk = 0.0018248 k( 105) = ( 0.4807692 0.5000000 0.0000000), wk = 0.0018248 k( 106) = ( 0.4711538 0.5000000 0.0000000), wk = 0.0018248 k( 107) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0018248 k( 108) = ( 0.4519231 0.5000000 -0.0000000), wk = 0.0018248 k( 109) = ( 0.4423077 0.5000000 0.0000000), wk = 0.0018248 k( 110) = ( 0.4326923 0.5000000 -0.0000000), wk = 0.0018248 k( 111) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0018248 k( 112) = ( 0.4134615 0.5000000 0.0000000), wk = 0.0018248 k( 113) = ( 0.4038462 0.5000000 0.0000000), wk = 0.0018248 k( 114) = ( 0.3942308 0.5000000 0.0000000), wk = 0.0018248 k( 115) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0018248 k( 116) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0018248 k( 117) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0018248 k( 118) = ( 0.3557692 0.5000000 0.0000000), wk = 0.0018248 k( 119) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0018248 k( 120) = ( 0.3365385 0.5000000 0.0000000), wk = 0.0018248 k( 121) = ( 0.3269231 0.5000000 0.0000000), wk = 0.0018248 k( 122) = ( 0.3173077 0.5000000 0.0000000), wk = 0.0018248 k( 123) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0018248 k( 124) = ( 0.2980769 0.5000000 0.0000000), wk = 0.0018248 k( 125) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0018248 k( 126) = ( 0.2788462 0.5000000 -0.0000000), wk = 0.0018248 k( 127) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0018248 k( 128) = ( 0.2596154 0.5000000 0.0000000), wk = 0.0018248 k( 129) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0018248 k( 130) = ( 0.2403846 0.5000000 0.0000000), wk = 0.0018248 k( 131) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0018248 k( 132) = ( 0.2211539 0.5000000 0.0000000), wk = 0.0018248 k( 133) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0018248 k( 134) = ( 0.2019231 0.5000000 0.0000000), wk = 0.0018248 k( 135) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0018248 k( 136) = ( 0.1826923 0.5000000 0.0000000), wk = 0.0018248 k( 137) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0018248 k( 138) = ( 0.1634615 0.5000000 0.0000000), wk = 0.0018248 k( 139) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0018248 k( 140) = ( 0.1442308 0.5000000 0.0000000), wk = 0.0018248 k( 141) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0018248 k( 142) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0018248 k( 143) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0018248 k( 144) = ( 0.1057692 0.5000000 0.0000000), wk = 0.0018248 k( 145) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0018248 k( 146) = ( 0.0865385 0.5000000 0.0000000), wk = 0.0018248 k( 147) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0018248 k( 148) = ( 0.0673077 0.5000000 0.0000000), wk = 0.0018248 k( 149) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0018248 k( 150) = ( 0.0480769 0.5000000 0.0000000), wk = 0.0018248 k( 151) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0018248 k( 152) = ( 0.0288462 0.5000000 0.0000000), wk = 0.0018248 k( 153) = ( 0.0192308 0.5000000 0.0000000), wk = 0.0018248 k( 154) = ( 0.0096154 0.5000000 0.0000000), wk = 0.0018248 k( 155) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 156) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 157) = ( 0.0000000 0.4895833 0.0000000), wk = 0.0018248 k( 158) = ( 0.0000000 0.4791667 -0.0000000), wk = 0.0018248 k( 159) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0018248 k( 160) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0018248 k( 161) = ( 0.0000000 0.4479167 0.0000000), wk = 0.0018248 k( 162) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0018248 k( 163) = ( 0.0000000 0.4270833 0.0000000), wk = 0.0018248 k( 164) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0018248 k( 165) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0018248 k( 166) = ( 0.0000000 0.3958333 0.0000000), wk = 0.0018248 k( 167) = ( 0.0000000 0.3854167 0.0000000), wk = 0.0018248 k( 168) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0018248 k( 169) = ( 0.0000000 0.3645833 0.0000000), wk = 0.0018248 k( 170) = ( 0.0000000 0.3541667 0.0000000), wk = 0.0018248 k( 171) = ( 0.0000000 0.3437500 0.0000000), wk = 0.0018248 k( 172) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0018248 k( 173) = ( 0.0000000 0.3229167 0.0000000), wk = 0.0018248 k( 174) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0018248 k( 175) = ( 0.0000000 0.3020833 0.0000000), wk = 0.0018248 k( 176) = ( 0.0000000 0.2916667 0.0000000), wk = 0.0018248 k( 177) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0018248 k( 178) = ( 0.0000000 0.2708333 0.0000000), wk = 0.0018248 k( 179) = ( 0.0000000 0.2604167 0.0000000), wk = 0.0018248 k( 180) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0018248 k( 181) = ( 0.0000000 0.2395833 0.0000000), wk = 0.0018248 k( 182) = ( 0.0000000 0.2291667 0.0000000), wk = 0.0018248 k( 183) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0018248 k( 184) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0018248 k( 185) = ( 0.0000000 0.1979167 0.0000000), wk = 0.0018248 k( 186) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0018248 k( 187) = ( 0.0000000 0.1770833 -0.0000000), wk = 0.0018248 k( 188) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0018248 k( 189) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0018248 k( 190) = ( 0.0000000 0.1458333 0.0000000), wk = 0.0018248 k( 191) = ( 0.0000000 0.1354167 0.0000000), wk = 0.0018248 k( 192) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0018248 k( 193) = ( 0.0000000 0.1145833 0.0000000), wk = 0.0018248 k( 194) = ( 0.0000000 0.1041667 0.0000000), wk = 0.0018248 k( 195) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0018248 k( 196) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0018248 k( 197) = ( 0.0000000 0.0729167 0.0000000), wk = 0.0018248 k( 198) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0018248 k( 199) = ( 0.0000000 0.0520833 0.0000000), wk = 0.0018248 k( 200) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0018248 k( 201) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0018248 k( 202) = ( 0.0000000 0.0208333 -0.0000000), wk = 0.0018248 k( 203) = ( 0.0000000 0.0104167 0.0000000), wk = 0.0018248 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018248 k( 206) = ( 0.0000000 0.0000000 0.0147059), wk = 0.0018248 k( 207) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0018248 k( 208) = ( 0.0000000 0.0000000 0.0441176), wk = 0.0018248 k( 209) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0018248 k( 210) = ( 0.0000000 0.0000000 0.0735294), wk = 0.0018248 k( 211) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0018248 k( 212) = ( 0.0000000 0.0000000 0.1029412), wk = 0.0018248 k( 213) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0018248 k( 214) = ( 0.0000000 0.0000000 0.1323529), wk = 0.0018248 k( 215) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0018248 k( 216) = ( 0.0000000 0.0000000 0.1617647), wk = 0.0018248 k( 217) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0018248 k( 218) = ( 0.0000000 0.0000000 0.1911765), wk = 0.0018248 k( 219) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0018248 k( 220) = ( 0.0000000 0.0000000 0.2205882), wk = 0.0018248 k( 221) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0018248 k( 222) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0018248 k( 223) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0018248 k( 224) = ( 0.0000000 0.0000000 0.2794118), wk = 0.0018248 k( 225) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0018248 k( 226) = ( 0.0000000 0.0000000 0.3088235), wk = 0.0018248 k( 227) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0018248 k( 228) = ( 0.0000000 0.0000000 0.3382353), wk = 0.0018248 k( 229) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0018248 k( 230) = ( 0.0000000 0.0000000 0.3676471), wk = 0.0018248 k( 231) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0018248 k( 232) = ( 0.0000000 0.0000000 0.3970588), wk = 0.0018248 k( 233) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0018248 k( 234) = ( 0.0000000 0.0000000 0.4264706), wk = 0.0018248 k( 235) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0018248 k( 236) = ( 0.0000000 0.0000000 0.4558823), wk = 0.0018248 k( 237) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0018248 k( 238) = ( 0.0000000 0.0000000 0.4852941), wk = 0.0018248 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 240) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 241) = ( 0.0096154 0.0000000 0.5000000), wk = 0.0018248 k( 242) = ( 0.0192308 0.0000000 0.5000000), wk = 0.0018248 k( 243) = ( 0.0288462 0.0000000 0.5000000), wk = 0.0018248 k( 244) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0018248 k( 245) = ( 0.0480769 0.0000000 0.5000000), wk = 0.0018248 k( 246) = ( 0.0576923 0.0000000 0.5000000), wk = 0.0018248 k( 247) = ( 0.0673077 0.0000000 0.5000000), wk = 0.0018248 k( 248) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0018248 k( 249) = ( 0.0865385 0.0000000 0.5000000), wk = 0.0018248 k( 250) = ( 0.0961538 0.0000000 0.5000000), wk = 0.0018248 k( 251) = ( 0.1057692 0.0000000 0.5000000), wk = 0.0018248 k( 252) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0018248 k( 253) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0018248 k( 254) = ( 0.1346154 0.0000000 0.5000000), wk = 0.0018248 k( 255) = ( 0.1442308 -0.0000000 0.5000000), wk = 0.0018248 k( 256) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0018248 k( 257) = ( 0.1634615 0.0000000 0.5000000), wk = 0.0018248 k( 258) = ( 0.1730769 0.0000000 0.5000000), wk = 0.0018248 k( 259) = ( 0.1826923 0.0000000 0.5000000), wk = 0.0018248 k( 260) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0018248 k( 261) = ( 0.2019231 0.0000000 0.5000000), wk = 0.0018248 k( 262) = ( 0.2115385 0.0000000 0.5000000), wk = 0.0018248 k( 263) = ( 0.2211539 0.0000000 0.5000000), wk = 0.0018248 k( 264) = ( 0.2307692 -0.0000000 0.5000000), wk = 0.0018248 k( 265) = ( 0.2403846 0.0000000 0.5000000), wk = 0.0018248 k( 266) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0018248 k( 267) = ( 0.2596154 0.0000000 0.5000000), wk = 0.0018248 k( 268) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0018248 k( 269) = ( 0.2788462 0.0000000 0.5000000), wk = 0.0018248 k( 270) = ( 0.2884615 -0.0000000 0.5000000), wk = 0.0018248 k( 271) = ( 0.2980769 0.0000000 0.5000000), wk = 0.0018248 k( 272) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0018248 k( 273) = ( 0.3173077 0.0000000 0.5000000), wk = 0.0018248 k( 274) = ( 0.3269231 0.0000000 0.5000000), wk = 0.0018248 k( 275) = ( 0.3365385 0.0000000 0.5000000), wk = 0.0018248 k( 276) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0018248 k( 277) = ( 0.3557692 0.0000000 0.5000000), wk = 0.0018248 k( 278) = ( 0.3653846 0.0000000 0.5000000), wk = 0.0018248 k( 279) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0018248 k( 280) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0018248 k( 281) = ( 0.3942308 0.0000000 0.5000000), wk = 0.0018248 k( 282) = ( 0.4038462 -0.0000000 0.5000000), wk = 0.0018248 k( 283) = ( 0.4134615 0.0000000 0.5000000), wk = 0.0018248 k( 284) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0018248 k( 285) = ( 0.4326923 0.0000000 0.5000000), wk = 0.0018248 k( 286) = ( 0.4423077 0.0000000 0.5000000), wk = 0.0018248 k( 287) = ( 0.4519231 0.0000000 0.5000000), wk = 0.0018248 k( 288) = ( 0.4615385 -0.0000000 0.5000000), wk = 0.0018248 k( 289) = ( 0.4711538 -0.0000000 0.5000000), wk = 0.0018248 k( 290) = ( 0.4807692 0.0000000 0.5000000), wk = 0.0018248 k( 291) = ( 0.4903846 0.0000000 0.5000000), wk = 0.0018248 k( 292) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 293) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 294) = ( 0.5000000 0.0104167 0.5000000), wk = 0.0018248 k( 295) = ( 0.5000000 0.0208333 0.5000000), wk = 0.0018248 k( 296) = ( 0.5000000 0.0312500 0.5000000), wk = 0.0018248 k( 297) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0018248 k( 298) = ( 0.5000000 0.0520833 0.5000000), wk = 0.0018248 k( 299) = ( 0.5000000 0.0625000 0.5000000), wk = 0.0018248 k( 300) = ( 0.5000000 0.0729167 0.5000000), wk = 0.0018248 k( 301) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0018248 k( 302) = ( 0.5000000 0.0937500 0.5000000), wk = 0.0018248 k( 303) = ( 0.5000000 0.1041667 0.5000000), wk = 0.0018248 k( 304) = ( 0.5000000 0.1145833 0.5000000), wk = 0.0018248 k( 305) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0018248 k( 306) = ( 0.5000000 0.1354167 0.5000000), wk = 0.0018248 k( 307) = ( 0.5000000 0.1458333 0.5000000), wk = 0.0018248 k( 308) = ( 0.5000000 0.1562500 0.5000000), wk = 0.0018248 k( 309) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0018248 k( 310) = ( 0.5000000 0.1770833 0.5000000), wk = 0.0018248 k( 311) = ( 0.5000000 0.1875000 0.5000000), wk = 0.0018248 k( 312) = ( 0.5000000 0.1979167 0.5000000), wk = 0.0018248 k( 313) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0018248 k( 314) = ( 0.5000000 0.2187500 0.5000000), wk = 0.0018248 k( 315) = ( 0.5000000 0.2291667 0.5000000), wk = 0.0018248 k( 316) = ( 0.5000000 0.2395833 0.5000000), wk = 0.0018248 k( 317) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0018248 k( 318) = ( 0.5000000 0.2604167 0.5000000), wk = 0.0018248 k( 319) = ( 0.5000000 0.2708333 0.5000000), wk = 0.0018248 k( 320) = ( 0.5000000 0.2812500 0.5000000), wk = 0.0018248 k( 321) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0018248 k( 322) = ( 0.5000000 0.3020833 0.5000000), wk = 0.0018248 k( 323) = ( 0.5000000 0.3125000 0.5000000), wk = 0.0018248 k( 324) = ( 0.5000000 0.3229167 0.5000000), wk = 0.0018248 k( 325) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0018248 k( 326) = ( 0.5000000 0.3437500 0.5000000), wk = 0.0018248 k( 327) = ( 0.5000000 0.3541667 0.5000000), wk = 0.0018248 k( 328) = ( 0.5000000 0.3645833 0.5000000), wk = 0.0018248 k( 329) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0018248 k( 330) = ( 0.5000000 0.3854167 0.5000000), wk = 0.0018248 k( 331) = ( 0.5000000 0.3958333 0.5000000), wk = 0.0018248 k( 332) = ( 0.5000000 0.4062500 0.5000000), wk = 0.0018248 k( 333) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0018248 k( 334) = ( 0.5000000 0.4270833 0.5000000), wk = 0.0018248 k( 335) = ( 0.5000000 0.4375000 0.5000000), wk = 0.0018248 k( 336) = ( 0.5000000 0.4479167 0.5000000), wk = 0.0018248 k( 337) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0018248 k( 338) = ( 0.5000000 0.4687500 0.5000000), wk = 0.0018248 k( 339) = ( 0.5000000 0.4791667 0.5000000), wk = 0.0018248 k( 340) = ( 0.5000000 0.4895833 0.5000000), wk = 0.0018248 k( 341) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 342) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 k( 343) = ( 0.4903846 0.5000000 0.5000000), wk = 0.0018248 k( 344) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0018248 k( 345) = ( 0.4711538 0.5000000 0.5000000), wk = 0.0018248 k( 346) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0018248 k( 347) = ( 0.4519231 0.5000000 0.5000000), wk = 0.0018248 k( 348) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0018248 k( 349) = ( 0.4326923 0.5000000 0.5000000), wk = 0.0018248 k( 350) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0018248 k( 351) = ( 0.4134615 0.5000000 0.5000000), wk = 0.0018248 k( 352) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0018248 k( 353) = ( 0.3942308 0.5000000 0.5000000), wk = 0.0018248 k( 354) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0018248 k( 355) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0018248 k( 356) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0018248 k( 357) = ( 0.3557692 0.5000000 0.5000000), wk = 0.0018248 k( 358) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0018248 k( 359) = ( 0.3365385 0.5000000 0.5000000), wk = 0.0018248 k( 360) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0018248 k( 361) = ( 0.3173077 0.5000000 0.5000000), wk = 0.0018248 k( 362) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0018248 k( 363) = ( 0.2980769 0.5000000 0.5000000), wk = 0.0018248 k( 364) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0018248 k( 365) = ( 0.2788462 0.5000000 0.5000000), wk = 0.0018248 k( 366) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0018248 k( 367) = ( 0.2596154 0.5000000 0.5000000), wk = 0.0018248 k( 368) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0018248 k( 369) = ( 0.2403846 0.5000000 0.5000000), wk = 0.0018248 k( 370) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0018248 k( 371) = ( 0.2211539 0.5000000 0.5000000), wk = 0.0018248 k( 372) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0018248 k( 373) = ( 0.2019231 0.5000000 0.5000000), wk = 0.0018248 k( 374) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0018248 k( 375) = ( 0.1826923 0.5000000 0.5000000), wk = 0.0018248 k( 376) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0018248 k( 377) = ( 0.1634615 0.5000000 0.5000000), wk = 0.0018248 k( 378) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0018248 k( 379) = ( 0.1442308 0.5000000 0.5000000), wk = 0.0018248 k( 380) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0018248 k( 381) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0018248 k( 382) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0018248 k( 383) = ( 0.1057692 0.5000000 0.5000000), wk = 0.0018248 k( 384) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0018248 k( 385) = ( 0.0865385 0.5000000 0.5000000), wk = 0.0018248 k( 386) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0018248 k( 387) = ( 0.0673077 0.5000000 0.5000000), wk = 0.0018248 k( 388) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0018248 k( 389) = ( 0.0480769 0.5000000 0.5000000), wk = 0.0018248 k( 390) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0018248 k( 391) = ( 0.0288462 0.5000000 0.5000000), wk = 0.0018248 k( 392) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0018248 k( 393) = ( 0.0096154 0.5000000 0.5000000), wk = 0.0018248 k( 394) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 395) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 396) = ( 0.0000000 0.4895833 0.5000000), wk = 0.0018248 k( 397) = ( 0.0000000 0.4791667 0.5000000), wk = 0.0018248 k( 398) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0018248 k( 399) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0018248 k( 400) = ( 0.0000000 0.4479167 0.5000000), wk = 0.0018248 k( 401) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0018248 k( 402) = ( 0.0000000 0.4270833 0.5000000), wk = 0.0018248 k( 403) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0018248 k( 404) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0018248 k( 405) = ( 0.0000000 0.3958333 0.5000000), wk = 0.0018248 k( 406) = ( 0.0000000 0.3854167 0.5000000), wk = 0.0018248 k( 407) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0018248 k( 408) = ( 0.0000000 0.3645833 0.5000000), wk = 0.0018248 k( 409) = ( 0.0000000 0.3541667 0.5000000), wk = 0.0018248 k( 410) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0018248 k( 411) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0018248 k( 412) = ( 0.0000000 0.3229167 0.5000000), wk = 0.0018248 k( 413) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0018248 k( 414) = ( 0.0000000 0.3020833 0.5000000), wk = 0.0018248 k( 415) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0018248 k( 416) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0018248 k( 417) = ( 0.0000000 0.2708333 0.5000000), wk = 0.0018248 k( 418) = ( 0.0000000 0.2604167 0.5000000), wk = 0.0018248 k( 419) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0018248 k( 420) = ( 0.0000000 0.2395833 0.5000000), wk = 0.0018248 k( 421) = ( 0.0000000 0.2291667 0.5000000), wk = 0.0018248 k( 422) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0018248 k( 423) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0018248 k( 424) = ( 0.0000000 0.1979167 0.5000000), wk = 0.0018248 k( 425) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0018248 k( 426) = ( 0.0000000 0.1770833 0.5000000), wk = 0.0018248 k( 427) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0018248 k( 428) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0018248 k( 429) = ( 0.0000000 0.1458333 0.5000000), wk = 0.0018248 k( 430) = ( 0.0000000 0.1354167 0.5000000), wk = 0.0018248 k( 431) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0018248 k( 432) = ( 0.0000000 0.1145833 0.5000000), wk = 0.0018248 k( 433) = ( 0.0000000 0.1041667 0.5000000), wk = 0.0018248 k( 434) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0018248 k( 435) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0018248 k( 436) = ( 0.0000000 0.0729167 0.5000000), wk = 0.0018248 k( 437) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0018248 k( 438) = ( 0.0000000 0.0520833 0.5000000), wk = 0.0018248 k( 439) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0018248 k( 440) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0018248 k( 441) = ( 0.0000000 0.0208333 0.5000000), wk = 0.0018248 k( 442) = ( 0.0000000 0.0104167 0.5000000), wk = 0.0018248 k( 443) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018248 k( 444) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018248 k( 445) = ( 0.0000000 0.5000000 0.0147059), wk = 0.0018248 k( 446) = ( 0.0000000 0.5000000 0.0294118), wk = 0.0018248 k( 447) = ( 0.0000000 0.5000000 0.0441177), wk = 0.0018248 k( 448) = ( 0.0000000 0.5000000 0.0588235), wk = 0.0018248 k( 449) = ( 0.0000000 0.5000000 0.0735294), wk = 0.0018248 k( 450) = ( 0.0000000 0.5000000 0.0882353), wk = 0.0018248 k( 451) = ( 0.0000000 0.5000000 0.1029412), wk = 0.0018248 k( 452) = ( 0.0000000 0.5000000 0.1176471), wk = 0.0018248 k( 453) = ( 0.0000000 0.5000000 0.1323529), wk = 0.0018248 k( 454) = ( 0.0000000 0.5000000 0.1470588), wk = 0.0018248 k( 455) = ( 0.0000000 0.5000000 0.1617647), wk = 0.0018248 k( 456) = ( 0.0000000 0.5000000 0.1764706), wk = 0.0018248 k( 457) = ( 0.0000000 0.5000000 0.1911765), wk = 0.0018248 k( 458) = ( 0.0000000 0.5000000 0.2058823), wk = 0.0018248 k( 459) = ( 0.0000000 0.5000000 0.2205882), wk = 0.0018248 k( 460) = ( 0.0000000 0.5000000 0.2352941), wk = 0.0018248 k( 461) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0018248 k( 462) = ( 0.0000000 0.5000000 0.2647059), wk = 0.0018248 k( 463) = ( 0.0000000 0.5000000 0.2794118), wk = 0.0018248 k( 464) = ( 0.0000000 0.5000000 0.2941177), wk = 0.0018248 k( 465) = ( 0.0000000 0.5000000 0.3088235), wk = 0.0018248 k( 466) = ( 0.0000000 0.5000000 0.3235294), wk = 0.0018248 k( 467) = ( 0.0000000 0.5000000 0.3382353), wk = 0.0018248 k( 468) = ( 0.0000000 0.5000000 0.3529412), wk = 0.0018248 k( 469) = ( 0.0000000 0.5000000 0.3676471), wk = 0.0018248 k( 470) = ( 0.0000000 0.5000000 0.3823529), wk = 0.0018248 k( 471) = ( 0.0000000 0.5000000 0.3970588), wk = 0.0018248 k( 472) = ( 0.0000000 0.5000000 0.4117647), wk = 0.0018248 k( 473) = ( 0.0000000 0.5000000 0.4264706), wk = 0.0018248 k( 474) = ( 0.0000000 0.5000000 0.4411765), wk = 0.0018248 k( 475) = ( 0.0000000 0.5000000 0.4558823), wk = 0.0018248 k( 476) = ( 0.0000000 0.5000000 0.4705882), wk = 0.0018248 k( 477) = ( 0.0000000 0.5000000 0.4852941), wk = 0.0018248 k( 478) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018248 k( 479) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0018248 k( 480) = ( 0.5000000 0.0000000 0.4852941), wk = 0.0018248 k( 481) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0018248 k( 482) = ( 0.5000000 0.0000000 0.4558823), wk = 0.0018248 k( 483) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0018248 k( 484) = ( 0.5000000 0.0000000 0.4264706), wk = 0.0018248 k( 485) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0018248 k( 486) = ( 0.5000000 0.0000000 0.3970588), wk = 0.0018248 k( 487) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0018248 k( 488) = ( 0.5000000 0.0000000 0.3676471), wk = 0.0018248 k( 489) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0018248 k( 490) = ( 0.5000000 0.0000000 0.3382353), wk = 0.0018248 k( 491) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0018248 k( 492) = ( 0.5000000 0.0000000 0.3088235), wk = 0.0018248 k( 493) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0018248 k( 494) = ( 0.5000000 0.0000000 0.2794118), wk = 0.0018248 k( 495) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0018248 k( 496) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0018248 k( 497) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0018248 k( 498) = ( 0.5000000 0.0000000 0.2205882), wk = 0.0018248 k( 499) = ( 0.5000000 0.0000000 0.2058823), wk = 0.0018248 k( 500) = ( 0.5000000 0.0000000 0.1911765), wk = 0.0018248 k( 501) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0018248 k( 502) = ( 0.5000000 0.0000000 0.1617647), wk = 0.0018248 k( 503) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0018248 k( 504) = ( 0.5000000 0.0000000 0.1323529), wk = 0.0018248 k( 505) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0018248 k( 506) = ( 0.5000000 0.0000000 0.1029412), wk = 0.0018248 k( 507) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0018248 k( 508) = ( 0.5000000 0.0000000 0.0735294), wk = 0.0018248 k( 509) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0018248 k( 510) = ( 0.5000000 0.0000000 0.0441177), wk = 0.0018248 k( 511) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0018248 k( 512) = ( 0.5000000 0.0000000 0.0147059), wk = 0.0018248 k( 513) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018248 k( 514) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018248 k( 515) = ( 0.5000000 0.5000000 0.0147059), wk = 0.0018248 k( 516) = ( 0.5000000 0.5000000 0.0294118), wk = 0.0018248 k( 517) = ( 0.5000000 0.5000000 0.0441177), wk = 0.0018248 k( 518) = ( 0.5000000 0.5000000 0.0588235), wk = 0.0018248 k( 519) = ( 0.5000000 0.5000000 0.0735294), wk = 0.0018248 k( 520) = ( 0.5000000 0.5000000 0.0882353), wk = 0.0018248 k( 521) = ( 0.5000000 0.5000000 0.1029412), wk = 0.0018248 k( 522) = ( 0.5000000 0.5000000 0.1176471), wk = 0.0018248 k( 523) = ( 0.5000000 0.5000000 0.1323529), wk = 0.0018248 k( 524) = ( 0.5000000 0.5000000 0.1470588), wk = 0.0018248 k( 525) = ( 0.5000000 0.5000000 0.1617647), wk = 0.0018248 k( 526) = ( 0.5000000 0.5000000 0.1764706), wk = 0.0018248 k( 527) = ( 0.5000000 0.5000000 0.1911765), wk = 0.0018248 k( 528) = ( 0.5000000 0.5000000 0.2058823), wk = 0.0018248 k( 529) = ( 0.5000000 0.5000000 0.2205882), wk = 0.0018248 k( 530) = ( 0.5000000 0.5000000 0.2352941), wk = 0.0018248 k( 531) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0018248 k( 532) = ( 0.5000000 0.5000000 0.2647059), wk = 0.0018248 k( 533) = ( 0.5000000 0.5000000 0.2794118), wk = 0.0018248 k( 534) = ( 0.5000000 0.5000000 0.2941177), wk = 0.0018248 k( 535) = ( 0.5000000 0.5000000 0.3088235), wk = 0.0018248 k( 536) = ( 0.5000000 0.5000000 0.3235294), wk = 0.0018248 k( 537) = ( 0.5000000 0.5000000 0.3382353), wk = 0.0018248 k( 538) = ( 0.5000000 0.5000000 0.3529412), wk = 0.0018248 k( 539) = ( 0.5000000 0.5000000 0.3676471), wk = 0.0018248 k( 540) = ( 0.5000000 0.5000000 0.3823529), wk = 0.0018248 k( 541) = ( 0.5000000 0.5000000 0.3970588), wk = 0.0018248 k( 542) = ( 0.5000000 0.5000000 0.4117647), wk = 0.0018248 k( 543) = ( 0.5000000 0.5000000 0.4264706), wk = 0.0018248 k( 544) = ( 0.5000000 0.5000000 0.4411765), wk = 0.0018248 k( 545) = ( 0.5000000 0.5000000 0.4558823), wk = 0.0018248 k( 546) = ( 0.5000000 0.5000000 0.4705882), wk = 0.0018248 k( 547) = ( 0.5000000 0.5000000 0.4852941), wk = 0.0018248 k( 548) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018248 Dense grid: 30469 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 12395 G-vectors FFT dimensions: ( 25, 27, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 92, 30) NL pseudopotentials 0.07 Mb ( 46, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 849) G-vector shells 0.00 Mb ( 437) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.17 Mb ( 92, 120) Each subspace H/S matrix 0.01 Mb ( 30, 30) Each matrix 0.09 Mb ( 96, 2, 30) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./SN.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 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 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.8 secs Computing kpt #: 14 total cpu time spent up to now is 2.9 secs Computing kpt #: 15 total cpu time spent up to now is 3.0 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.2 secs Computing kpt #: 18 total cpu time spent up to now is 3.2 secs Computing kpt #: 19 total cpu time spent up to now is 3.3 secs Computing kpt #: 20 total cpu time spent up to now is 3.4 secs Computing kpt #: 21 total cpu time spent up to now is 3.5 secs Computing kpt #: 22 total cpu time spent up to now is 3.6 secs Computing kpt #: 23 total cpu time spent up to now is 3.7 secs Computing kpt #: 24 total cpu time spent up to now is 3.8 secs Computing kpt #: 25 total cpu time spent up to now is 3.9 secs Computing kpt #: 26 total cpu time spent up to now is 4.0 secs Computing kpt #: 27 total cpu time spent up to now is 4.1 secs Computing kpt #: 28 total cpu time spent up to now is 4.2 secs Computing kpt #: 29 total cpu time spent up to now is 4.3 secs Computing kpt #: 30 total cpu time spent up to now is 4.4 secs Computing kpt #: 31 total cpu time spent up to now is 4.5 secs Computing kpt #: 32 total cpu time spent up to now is 4.6 secs Computing kpt #: 33 total cpu time spent up to now is 4.7 secs Computing kpt #: 34 total cpu time spent up to now is 4.8 secs Computing kpt #: 35 total cpu time spent up to now is 4.9 secs Computing kpt #: 36 total cpu time spent up to now is 5.0 secs Computing kpt #: 37 total cpu time spent up to now is 5.1 secs Computing kpt #: 38 total cpu time spent up to now is 5.2 secs Computing kpt #: 39 total cpu time spent up to now is 5.3 secs Computing kpt #: 40 total cpu time spent up to now is 5.4 secs Computing kpt #: 41 total cpu time spent up to now is 5.5 secs Computing kpt #: 42 total cpu time spent up to now is 5.6 secs Computing kpt #: 43 total cpu time spent up to now is 5.7 secs Computing kpt #: 44 total cpu time spent up to now is 5.8 secs Computing kpt #: 45 total cpu time spent up to now is 5.9 secs Computing kpt #: 46 total cpu time spent up to now is 6.0 secs Computing kpt #: 47 total cpu time spent up to now is 6.1 secs Computing kpt #: 48 total cpu time spent up to now is 6.2 secs Computing kpt #: 49 total cpu time spent up to now is 6.3 secs Computing kpt #: 50 total cpu time spent up to now is 6.4 secs Computing kpt #: 51 total cpu time spent up to now is 6.5 secs Computing kpt #: 52 total cpu time spent up to now is 6.6 secs Computing kpt #: 53 total cpu time spent up to now is 6.8 secs Computing kpt #: 54 total cpu time spent up to now is 6.9 secs Computing kpt #: 55 total cpu time spent up to now is 7.0 secs Computing kpt #: 56 total cpu time spent up to now is 7.1 secs Computing kpt #: 57 total cpu time spent up to now is 7.2 secs Computing kpt #: 58 total cpu time spent up to now is 7.4 secs Computing kpt #: 59 total cpu time spent up to now is 7.6 secs Computing kpt #: 60 total cpu time spent up to now is 7.7 secs Computing kpt #: 61 total cpu time spent up to now is 7.9 secs Computing kpt #: 62 total cpu time spent up to now is 8.0 secs Computing kpt #: 63 total cpu time spent up to now is 8.2 secs Computing kpt #: 64 total cpu time spent up to now is 8.3 secs Computing kpt #: 65 total cpu time spent up to now is 8.5 secs Computing kpt #: 66 total cpu time spent up to now is 8.6 secs Computing kpt #: 67 total cpu time spent up to now is 8.8 secs Computing kpt #: 68 total cpu time spent up to now is 8.9 secs Computing kpt #: 69 total cpu time spent up to now is 9.0 secs Computing kpt #: 70 total cpu time spent up to now is 9.2 secs Computing kpt #: 71 total cpu time spent up to now is 9.3 secs Computing kpt #: 72 total cpu time spent up to now is 9.5 secs Computing kpt #: 73 total cpu time spent up to now is 9.6 secs Computing kpt #: 74 total cpu time spent up to now is 9.7 secs Computing kpt #: 75 total cpu time spent up to now is 9.9 secs Computing kpt #: 76 total cpu time spent up to now is 10.0 secs Computing kpt #: 77 total cpu time spent up to now is 10.2 secs Computing kpt #: 78 total cpu time spent up to now is 10.3 secs Computing kpt #: 79 total cpu time spent up to now is 10.5 secs Computing kpt #: 80 total cpu time spent up to now is 10.7 secs Computing kpt #: 81 total cpu time spent up to now is 10.8 secs Computing kpt #: 82 total cpu time spent up to now is 10.9 secs Computing kpt #: 83 total cpu time spent up to now is 11.1 secs Computing kpt #: 84 total cpu time spent up to now is 11.2 secs Computing kpt #: 85 total cpu time spent up to now is 11.4 secs Computing kpt #: 86 total cpu time spent up to now is 11.5 secs Computing kpt #: 87 total cpu time spent up to now is 11.7 secs Computing kpt #: 88 total cpu time spent up to now is 11.8 secs Computing kpt #: 89 total cpu time spent up to now is 12.0 secs Computing kpt #: 90 total cpu time spent up to now is 12.1 secs Computing kpt #: 91 total cpu time spent up to now is 12.2 secs Computing kpt #: 92 total cpu time spent up to now is 12.3 secs Computing kpt #: 93 total cpu time spent up to now is 12.5 secs Computing kpt #: 94 total cpu time spent up to now is 12.6 secs Computing kpt #: 95 total cpu time spent up to now is 12.7 secs Computing kpt #: 96 total cpu time spent up to now is 12.8 secs Computing kpt #: 97 total cpu time spent up to now is 13.0 secs Computing kpt #: 98 total cpu time spent up to now is 13.1 secs Computing kpt #: 99 total cpu time spent up to now is 13.2 secs Computing kpt #: 100 total cpu time spent up to now is 13.3 secs Computing kpt #: 101 total cpu time spent up to now is 13.5 secs Computing kpt #: 102 total cpu time spent up to now is 13.6 secs Computing kpt #: 103 total cpu time spent up to now is 13.7 secs Computing kpt #: 104 total cpu time spent up to now is 13.8 secs Computing kpt #: 105 total cpu time spent up to now is 14.0 secs Computing kpt #: 106 total cpu time spent up to now is 14.1 secs Computing kpt #: 107 total cpu time spent up to now is 14.2 secs Computing kpt #: 108 total cpu time spent up to now is 14.4 secs Computing kpt #: 109 total cpu time spent up to now is 14.5 secs Computing kpt #: 110 total cpu time spent up to now is 14.6 secs Computing kpt #: 111 total cpu time spent up to now is 14.7 secs Computing kpt #: 112 total cpu time spent up to now is 14.9 secs Computing kpt #: 113 total cpu time spent up to now is 15.0 secs Computing kpt #: 114 total cpu time spent up to now is 15.2 secs Computing kpt #: 115 total cpu time spent up to now is 15.3 secs Computing kpt #: 116 total cpu time spent up to now is 15.4 secs Computing kpt #: 117 total cpu time spent up to now is 15.6 secs Computing kpt #: 118 total cpu time spent up to now is 15.7 secs Computing kpt #: 119 total cpu time spent up to now is 15.8 secs Computing kpt #: 120 total cpu time spent up to now is 16.0 secs Computing kpt #: 121 total cpu time spent up to now is 16.1 secs Computing kpt #: 122 total cpu time spent up to now is 16.3 secs Computing kpt #: 123 total cpu time spent up to now is 16.4 secs Computing kpt #: 124 total cpu time spent up to now is 16.5 secs Computing kpt #: 125 total cpu time spent up to now is 16.7 secs Computing kpt #: 126 total cpu time spent up to now is 16.8 secs Computing kpt #: 127 total cpu time spent up to now is 16.9 secs Computing kpt #: 128 total cpu time spent up to now is 17.1 secs Computing kpt #: 129 total cpu time spent up to now is 17.2 secs Computing kpt #: 130 total cpu time spent up to now is 17.4 secs Computing kpt #: 131 total cpu time spent up to now is 17.5 secs Computing kpt #: 132 total cpu time spent up to now is 17.6 secs Computing kpt #: 133 total cpu time spent up to now is 17.8 secs Computing kpt #: 134 total cpu time spent up to now is 17.9 secs Computing kpt #: 135 total cpu time spent up to now is 18.1 secs Computing kpt #: 136 total cpu time spent up to now is 18.2 secs Computing kpt #: 137 total cpu time spent up to now is 18.4 secs Computing kpt #: 138 total cpu time spent up to now is 18.5 secs Computing kpt #: 139 total cpu time spent up to now is 18.7 secs Computing kpt #: 140 total cpu time spent up to now is 18.8 secs Computing kpt #: 141 total cpu time spent up to now is 18.9 secs Computing kpt #: 142 total cpu time spent up to now is 19.1 secs Computing kpt #: 143 total cpu time spent up to now is 19.2 secs Computing kpt #: 144 total cpu time spent up to now is 19.4 secs Computing kpt #: 145 total cpu time spent up to now is 19.5 secs Computing kpt #: 146 total cpu time spent up to now is 19.7 secs Computing kpt #: 147 total cpu time spent up to now is 19.8 secs Computing kpt #: 148 total cpu time spent up to now is 20.0 secs Computing kpt #: 149 total cpu time spent up to now is 20.1 secs Computing kpt #: 150 total cpu time spent up to now is 20.2 secs Computing kpt #: 151 total cpu time spent up to now is 20.3 secs Computing kpt #: 152 total cpu time spent up to now is 20.4 secs Computing kpt #: 153 total cpu time spent up to now is 20.6 secs Computing kpt #: 154 total cpu time spent up to now is 20.7 secs Computing kpt #: 155 total cpu time spent up to now is 20.8 secs Computing kpt #: 156 total cpu time spent up to now is 20.9 secs Computing kpt #: 157 total cpu time spent up to now is 21.0 secs Computing kpt #: 158 total cpu time spent up to now is 21.1 secs Computing kpt #: 159 total cpu time spent up to now is 21.2 secs Computing kpt #: 160 total cpu time spent up to now is 21.3 secs Computing kpt #: 161 total cpu time spent up to now is 21.4 secs Computing kpt #: 162 total cpu time spent up to now is 21.5 secs Computing kpt #: 163 total cpu time spent up to now is 21.6 secs Computing kpt #: 164 total cpu time spent up to now is 21.7 secs Computing kpt #: 165 total cpu time spent up to now is 21.8 secs Computing kpt #: 166 total cpu time spent up to now is 21.9 secs Computing kpt #: 167 total cpu time spent up to now is 22.0 secs Computing kpt #: 168 total cpu time spent up to now is 22.1 secs Computing kpt #: 169 total cpu time spent up to now is 22.2 secs Computing kpt #: 170 total cpu time spent up to now is 22.3 secs Computing kpt #: 171 total cpu time spent up to now is 22.4 secs Computing kpt #: 172 total cpu time spent up to now is 22.5 secs Computing kpt #: 173 total cpu time spent up to now is 22.6 secs Computing kpt #: 174 total cpu time spent up to now is 22.7 secs Computing kpt #: 175 total cpu time spent up to now is 22.8 secs Computing kpt #: 176 total cpu time spent up to now is 23.0 secs Computing kpt #: 177 total cpu time spent up to now is 23.1 secs Computing kpt #: 178 total cpu time spent up to now is 23.2 secs Computing kpt #: 179 total cpu time spent up to now is 23.3 secs Computing kpt #: 180 total cpu time spent up to now is 23.4 secs Computing kpt #: 181 total cpu time spent up to now is 23.5 secs Computing kpt #: 182 total cpu time spent up to now is 23.6 secs Computing kpt #: 183 total cpu time spent up to now is 23.7 secs Computing kpt #: 184 total cpu time spent up to now is 23.8 secs Computing kpt #: 185 total cpu time spent up to now is 23.9 secs Computing kpt #: 186 total cpu time spent up to now is 24.0 secs Computing kpt #: 187 total cpu time spent up to now is 24.1 secs Computing kpt #: 188 total cpu time spent up to now is 24.2 secs Computing kpt #: 189 total cpu time spent up to now is 24.3 secs Computing kpt #: 190 total cpu time spent up to now is 24.4 secs Computing kpt #: 191 total cpu time spent up to now is 24.5 secs Computing kpt #: 192 total cpu time spent up to now is 24.6 secs Computing kpt #: 193 total cpu time spent up to now is 24.7 secs Computing kpt #: 194 total cpu time spent up to now is 24.8 secs Computing kpt #: 195 total cpu time spent up to now is 24.9 secs Computing kpt #: 196 total cpu time spent up to now is 25.0 secs Computing kpt #: 197 total cpu time spent up to now is 25.1 secs Computing kpt #: 198 total cpu time spent up to now is 25.2 secs Computing kpt #: 199 total cpu time spent up to now is 25.3 secs Computing kpt #: 200 total cpu time spent up to now is 25.4 secs Computing kpt #: 201 total cpu time spent up to now is 25.5 secs Computing kpt #: 202 total cpu time spent up to now is 25.6 secs Computing kpt #: 203 total cpu time spent up to now is 25.7 secs Computing kpt #: 204 total cpu time spent up to now is 25.8 secs Computing kpt #: 205 total cpu time spent up to now is 25.9 secs Computing kpt #: 206 total cpu time spent up to now is 26.0 secs Computing kpt #: 207 total cpu time spent up to now is 26.1 secs Computing kpt #: 208 total cpu time spent up to now is 26.2 secs Computing kpt #: 209 total cpu time spent up to now is 26.3 secs Computing kpt #: 210 total cpu time spent up to now is 26.4 secs Computing kpt #: 211 total cpu time spent up to now is 26.5 secs Computing kpt #: 212 total cpu time spent up to now is 26.6 secs Computing kpt #: 213 total cpu time spent up to now is 26.7 secs Computing kpt #: 214 total cpu time spent up to now is 26.8 secs Computing kpt #: 215 total cpu time spent up to now is 26.9 secs Computing kpt #: 216 total cpu time spent up to now is 27.0 secs Computing kpt #: 217 total cpu time spent up to now is 27.1 secs Computing kpt #: 218 total cpu time spent up to now is 27.2 secs Computing kpt #: 219 total cpu time spent up to now is 27.3 secs Computing kpt #: 220 total cpu time spent up to now is 27.5 secs Computing kpt #: 221 total cpu time spent up to now is 27.6 secs Computing kpt #: 222 total cpu time spent up to now is 27.7 secs Computing kpt #: 223 total cpu time spent up to now is 27.9 secs Computing kpt #: 224 total cpu time spent up to now is 28.0 secs Computing kpt #: 225 total cpu time spent up to now is 28.2 secs Computing kpt #: 226 total cpu time spent up to now is 28.3 secs Computing kpt #: 227 total cpu time spent up to now is 28.5 secs Computing kpt #: 228 total cpu time spent up to now is 28.6 secs Computing kpt #: 229 total cpu time spent up to now is 28.7 secs Computing kpt #: 230 total cpu time spent up to now is 28.9 secs Computing kpt #: 231 total cpu time spent up to now is 29.0 secs Computing kpt #: 232 total cpu time spent up to now is 29.1 secs Computing kpt #: 233 total cpu time spent up to now is 29.3 secs Computing kpt #: 234 total cpu time spent up to now is 29.4 secs Computing kpt #: 235 total cpu time spent up to now is 29.5 secs Computing kpt #: 236 total cpu time spent up to now is 29.7 secs Computing kpt #: 237 total cpu time spent up to now is 29.8 secs Computing kpt #: 238 total cpu time spent up to now is 29.9 secs Computing kpt #: 239 total cpu time spent up to now is 30.1 secs Computing kpt #: 240 total cpu time spent up to now is 30.2 secs Computing kpt #: 241 total cpu time spent up to now is 30.3 secs Computing kpt #: 242 total cpu time spent up to now is 30.5 secs Computing kpt #: 243 total cpu time spent up to now is 30.6 secs Computing kpt #: 244 total cpu time spent up to now is 30.7 secs Computing kpt #: 245 total cpu time spent up to now is 30.9 secs Computing kpt #: 246 total cpu time spent up to now is 31.0 secs Computing kpt #: 247 total cpu time spent up to now is 31.1 secs Computing kpt #: 248 total cpu time spent up to now is 31.3 secs Computing kpt #: 249 total cpu time spent up to now is 31.4 secs Computing kpt #: 250 total cpu time spent up to now is 31.5 secs Computing kpt #: 251 total cpu time spent up to now is 31.7 secs Computing kpt #: 252 total cpu time spent up to now is 31.8 secs Computing kpt #: 253 total cpu time spent up to now is 31.9 secs Computing kpt #: 254 total cpu time spent up to now is 32.0 secs Computing kpt #: 255 total cpu time spent up to now is 32.2 secs Computing kpt #: 256 total cpu time spent up to now is 32.3 secs Computing kpt #: 257 total cpu time spent up to now is 32.5 secs Computing kpt #: 258 total cpu time spent up to now is 32.6 secs Computing kpt #: 259 total cpu time spent up to now is 32.7 secs Computing kpt #: 260 total cpu time spent up to now is 32.9 secs Computing kpt #: 261 total cpu time spent up to now is 33.0 secs Computing kpt #: 262 total cpu time spent up to now is 33.2 secs Computing kpt #: 263 total cpu time spent up to now is 33.3 secs Computing kpt #: 264 total cpu time spent up to now is 33.4 secs Computing kpt #: 265 total cpu time spent up to now is 33.5 secs Computing kpt #: 266 total cpu time spent up to now is 33.7 secs Computing kpt #: 267 total cpu time spent up to now is 33.8 secs Computing kpt #: 268 total cpu time spent up to now is 33.9 secs Computing kpt #: 269 total cpu time spent up to now is 34.0 secs Computing kpt #: 270 total cpu time spent up to now is 34.1 secs Computing kpt #: 271 total cpu time spent up to now is 34.2 secs Computing kpt #: 272 total cpu time spent up to now is 34.3 secs Computing kpt #: 273 total cpu time spent up to now is 34.5 secs Computing kpt #: 274 total cpu time spent up to now is 34.6 secs Computing kpt #: 275 total cpu time spent up to now is 34.7 secs Computing kpt #: 276 total cpu time spent up to now is 34.8 secs Computing kpt #: 277 total cpu time spent up to now is 34.9 secs Computing kpt #: 278 total cpu time spent up to now is 35.0 secs Computing kpt #: 279 total cpu time spent up to now is 35.1 secs Computing kpt #: 280 total cpu time spent up to now is 35.2 secs Computing kpt #: 281 total cpu time spent up to now is 35.3 secs Computing kpt #: 282 total cpu time spent up to now is 35.4 secs Computing kpt #: 283 total cpu time spent up to now is 35.6 secs Computing kpt #: 284 total cpu time spent up to now is 35.7 secs Computing kpt #: 285 total cpu time spent up to now is 35.8 secs Computing kpt #: 286 total cpu time spent up to now is 35.9 secs Computing kpt #: 287 total cpu time spent up to now is 36.0 secs Computing kpt #: 288 total cpu time spent up to now is 36.1 secs Computing kpt #: 289 total cpu time spent up to now is 36.3 secs Computing kpt #: 290 total cpu time spent up to now is 36.4 secs Computing kpt #: 291 total cpu time spent up to now is 36.5 secs Computing kpt #: 292 total cpu time spent up to now is 36.6 secs Computing kpt #: 293 total cpu time spent up to now is 36.9 secs Computing kpt #: 294 total cpu time spent up to now is 37.3 secs Computing kpt #: 295 total cpu time spent up to now is 37.5 secs Computing kpt #: 296 total cpu time spent up to now is 37.6 secs Computing kpt #: 297 total cpu time spent up to now is 37.8 secs Computing kpt #: 298 total cpu time spent up to now is 37.9 secs Computing kpt #: 299 total cpu time spent up to now is 38.1 secs Computing kpt #: 300 total cpu time spent up to now is 38.2 secs Computing kpt #: 301 total cpu time spent up to now is 38.4 secs Computing kpt #: 302 total cpu time spent up to now is 38.5 secs Computing kpt #: 303 total cpu time spent up to now is 38.7 secs Computing kpt #: 304 total cpu time spent up to now is 38.8 secs Computing kpt #: 305 total cpu time spent up to now is 39.0 secs Computing kpt #: 306 total cpu time spent up to now is 39.1 secs Computing kpt #: 307 total cpu time spent up to now is 39.3 secs Computing kpt #: 308 total cpu time spent up to now is 39.4 secs Computing kpt #: 309 total cpu time spent up to now is 39.6 secs Computing kpt #: 310 total cpu time spent up to now is 39.7 secs Computing kpt #: 311 total cpu time spent up to now is 39.9 secs Computing kpt #: 312 total cpu time spent up to now is 40.1 secs Computing kpt #: 313 total cpu time spent up to now is 40.2 secs Computing kpt #: 314 total cpu time spent up to now is 40.3 secs Computing kpt #: 315 total cpu time spent up to now is 40.4 secs Computing kpt #: 316 total cpu time spent up to now is 40.5 secs Computing kpt #: 317 total cpu time spent up to now is 40.6 secs Computing kpt #: 318 total cpu time spent up to now is 40.7 secs Computing kpt #: 319 total cpu time spent up to now is 40.9 secs Computing kpt #: 320 total cpu time spent up to now is 41.0 secs Computing kpt #: 321 total cpu time spent up to now is 41.1 secs Computing kpt #: 322 total cpu time spent up to now is 41.2 secs Computing kpt #: 323 total cpu time spent up to now is 41.3 secs Computing kpt #: 324 total cpu time spent up to now is 41.4 secs Computing kpt #: 325 total cpu time spent up to now is 41.5 secs Computing kpt #: 326 total cpu time spent up to now is 41.6 secs Computing kpt #: 327 total cpu time spent up to now is 41.7 secs Computing kpt #: 328 total cpu time spent up to now is 41.8 secs Computing kpt #: 329 total cpu time spent up to now is 41.9 secs Computing kpt #: 330 total cpu time spent up to now is 42.0 secs Computing kpt #: 331 total cpu time spent up to now is 42.1 secs Computing kpt #: 332 total cpu time spent up to now is 42.2 secs Computing kpt #: 333 total cpu time spent up to now is 42.3 secs Computing kpt #: 334 total cpu time spent up to now is 42.4 secs Computing kpt #: 335 total cpu time spent up to now is 42.5 secs Computing kpt #: 336 total cpu time spent up to now is 42.6 secs Computing kpt #: 337 total cpu time spent up to now is 42.7 secs Computing kpt #: 338 total cpu time spent up to now is 42.8 secs Computing kpt #: 339 total cpu time spent up to now is 42.9 secs Computing kpt #: 340 total cpu time spent up to now is 43.0 secs Computing kpt #: 341 total cpu time spent up to now is 43.1 secs Computing kpt #: 342 total cpu time spent up to now is 43.2 secs Computing kpt #: 343 total cpu time spent up to now is 43.3 secs Computing kpt #: 344 total cpu time spent up to now is 43.4 secs Computing kpt #: 345 total cpu time spent up to now is 43.5 secs Computing kpt #: 346 total cpu time spent up to now is 43.6 secs Computing kpt #: 347 total cpu time spent up to now is 43.7 secs Computing kpt #: 348 total cpu time spent up to now is 43.8 secs Computing kpt #: 349 total cpu time spent up to now is 43.9 secs Computing kpt #: 350 total cpu time spent up to now is 44.0 secs Computing kpt #: 351 total cpu time spent up to now is 44.1 secs Computing kpt #: 352 total cpu time spent up to now is 44.2 secs Computing kpt #: 353 total cpu time spent up to now is 44.3 secs Computing kpt #: 354 total cpu time spent up to now is 44.4 secs Computing kpt #: 355 total cpu time spent up to now is 44.5 secs Computing kpt #: 356 total cpu time spent up to now is 44.6 secs Computing kpt #: 357 total cpu time spent up to now is 44.7 secs Computing kpt #: 358 total cpu time spent up to now is 44.8 secs Computing kpt #: 359 total cpu time spent up to now is 44.9 secs Computing kpt #: 360 total cpu time spent up to now is 45.2 secs Computing kpt #: 361 total cpu time spent up to now is 45.3 secs Computing kpt #: 362 total cpu time spent up to now is 45.4 secs Computing kpt #: 363 total cpu time spent up to now is 45.6 secs Computing kpt #: 364 total cpu time spent up to now is 45.7 secs Computing kpt #: 365 total cpu time spent up to now is 45.8 secs Computing kpt #: 366 total cpu time spent up to now is 46.0 secs Computing kpt #: 367 total cpu time spent up to now is 46.1 secs Computing kpt #: 368 total cpu time spent up to now is 46.3 secs Computing kpt #: 369 total cpu time spent up to now is 46.4 secs Computing kpt #: 370 total cpu time spent up to now is 46.5 secs Computing kpt #: 371 total cpu time spent up to now is 46.7 secs Computing kpt #: 372 total cpu time spent up to now is 46.9 secs Computing kpt #: 373 total cpu time spent up to now is 47.0 secs Computing kpt #: 374 total cpu time spent up to now is 47.1 secs Computing kpt #: 375 total cpu time spent up to now is 47.3 secs Computing kpt #: 376 total cpu time spent up to now is 47.4 secs Computing kpt #: 377 total cpu time spent up to now is 47.6 secs Computing kpt #: 378 total cpu time spent up to now is 47.8 secs Computing kpt #: 379 total cpu time spent up to now is 47.9 secs Computing kpt #: 380 total cpu time spent up to now is 48.1 secs Computing kpt #: 381 total cpu time spent up to now is 48.2 secs Computing kpt #: 382 total cpu time spent up to now is 48.4 secs Computing kpt #: 383 total cpu time spent up to now is 48.5 secs Computing kpt #: 384 total cpu time spent up to now is 48.7 secs Computing kpt #: 385 total cpu time spent up to now is 48.8 secs Computing kpt #: 386 total cpu time spent up to now is 49.0 secs Computing kpt #: 387 total cpu time spent up to now is 49.1 secs Computing kpt #: 388 total cpu time spent up to now is 49.3 secs Computing kpt #: 389 total cpu time spent up to now is 49.4 secs Computing kpt #: 390 total cpu time spent up to now is 49.6 secs Computing kpt #: 391 total cpu time spent up to now is 49.7 secs Computing kpt #: 392 total cpu time spent up to now is 49.9 secs Computing kpt #: 393 total cpu time spent up to now is 50.0 secs Computing kpt #: 394 total cpu time spent up to now is 50.1 secs Computing kpt #: 395 total cpu time spent up to now is 50.2 secs Computing kpt #: 396 total cpu time spent up to now is 50.3 secs Computing kpt #: 397 total cpu time spent up to now is 50.5 secs Computing kpt #: 398 total cpu time spent up to now is 50.6 secs Computing kpt #: 399 total cpu time spent up to now is 50.7 secs Computing kpt #: 400 total cpu time spent up to now is 50.9 secs Computing kpt #: 401 total cpu time spent up to now is 51.0 secs Computing kpt #: 402 total cpu time spent up to now is 51.1 secs Computing kpt #: 403 total cpu time spent up to now is 51.3 secs Computing kpt #: 404 total cpu time spent up to now is 51.4 secs Computing kpt #: 405 total cpu time spent up to now is 51.6 secs Computing kpt #: 406 total cpu time spent up to now is 51.7 secs Computing kpt #: 407 total cpu time spent up to now is 51.8 secs Computing kpt #: 408 total cpu time spent up to now is 52.0 secs Computing kpt #: 409 total cpu time spent up to now is 52.1 secs Computing kpt #: 410 total cpu time spent up to now is 52.3 secs Computing kpt #: 411 total cpu time spent up to now is 52.4 secs Computing kpt #: 412 total cpu time spent up to now is 52.6 secs Computing kpt #: 413 total cpu time spent up to now is 52.7 secs Computing kpt #: 414 total cpu time spent up to now is 52.8 secs Computing kpt #: 415 total cpu time spent up to now is 52.9 secs Computing kpt #: 416 total cpu time spent up to now is 53.0 secs Computing kpt #: 417 total cpu time spent up to now is 53.1 secs Computing kpt #: 418 total cpu time spent up to now is 53.2 secs Computing kpt #: 419 total cpu time spent up to now is 53.4 secs Computing kpt #: 420 total cpu time spent up to now is 53.5 secs Computing kpt #: 421 total cpu time spent up to now is 53.6 secs Computing kpt #: 422 total cpu time spent up to now is 53.7 secs Computing kpt #: 423 total cpu time spent up to now is 53.9 secs Computing kpt #: 424 total cpu time spent up to now is 54.0 secs Computing kpt #: 425 total cpu time spent up to now is 54.2 secs Computing kpt #: 426 total cpu time spent up to now is 54.3 secs Computing kpt #: 427 total cpu time spent up to now is 54.4 secs Computing kpt #: 428 total cpu time spent up to now is 54.6 secs Computing kpt #: 429 total cpu time spent up to now is 54.7 secs Computing kpt #: 430 total cpu time spent up to now is 54.8 secs Computing kpt #: 431 total cpu time spent up to now is 55.0 secs Computing kpt #: 432 total cpu time spent up to now is 55.1 secs Computing kpt #: 433 total cpu time spent up to now is 55.2 secs Computing kpt #: 434 total cpu time spent up to now is 55.3 secs Computing kpt #: 435 total cpu time spent up to now is 55.4 secs Computing kpt #: 436 total cpu time spent up to now is 55.5 secs Computing kpt #: 437 total cpu time spent up to now is 55.6 secs Computing kpt #: 438 total cpu time spent up to now is 55.8 secs Computing kpt #: 439 total cpu time spent up to now is 55.9 secs Computing kpt #: 440 total cpu time spent up to now is 56.0 secs Computing kpt #: 441 total cpu time spent up to now is 56.2 secs Computing kpt #: 442 total cpu time spent up to now is 56.3 secs Computing kpt #: 443 total cpu time spent up to now is 56.4 secs Computing kpt #: 444 total cpu time spent up to now is 56.5 secs Computing kpt #: 445 total cpu time spent up to now is 56.6 secs Computing kpt #: 446 total cpu time spent up to now is 56.7 secs Computing kpt #: 447 total cpu time spent up to now is 56.8 secs Computing kpt #: 448 total cpu time spent up to now is 56.9 secs Computing kpt #: 449 total cpu time spent up to now is 57.0 secs Computing kpt #: 450 total cpu time spent up to now is 57.1 secs Computing kpt #: 451 total cpu time spent up to now is 57.2 secs Computing kpt #: 452 total cpu time spent up to now is 57.3 secs Computing kpt #: 453 total cpu time spent up to now is 57.4 secs Computing kpt #: 454 total cpu time spent up to now is 57.5 secs Computing kpt #: 455 total cpu time spent up to now is 57.6 secs Computing kpt #: 456 total cpu time spent up to now is 57.8 secs Computing kpt #: 457 total cpu time spent up to now is 57.9 secs Computing kpt #: 458 total cpu time spent up to now is 58.0 secs Computing kpt #: 459 total cpu time spent up to now is 58.1 secs Computing kpt #: 460 total cpu time spent up to now is 58.2 secs Computing kpt #: 461 total cpu time spent up to now is 58.3 secs Computing kpt #: 462 total cpu time spent up to now is 58.4 secs Computing kpt #: 463 total cpu time spent up to now is 58.6 secs Computing kpt #: 464 total cpu time spent up to now is 58.7 secs Computing kpt #: 465 total cpu time spent up to now is 58.8 secs Computing kpt #: 466 total cpu time spent up to now is 58.9 secs Computing kpt #: 467 total cpu time spent up to now is 59.0 secs Computing kpt #: 468 total cpu time spent up to now is 59.2 secs Computing kpt #: 469 total cpu time spent up to now is 59.3 secs Computing kpt #: 470 total cpu time spent up to now is 59.4 secs Computing kpt #: 471 total cpu time spent up to now is 59.5 secs Computing kpt #: 472 total cpu time spent up to now is 59.6 secs Computing kpt #: 473 total cpu time spent up to now is 59.7 secs Computing kpt #: 474 total cpu time spent up to now is 59.9 secs Computing kpt #: 475 total cpu time spent up to now is 60.0 secs Computing kpt #: 476 total cpu time spent up to now is 60.1 secs Computing kpt #: 477 total cpu time spent up to now is 60.2 secs Computing kpt #: 478 total cpu time spent up to now is 60.3 secs Computing kpt #: 479 total cpu time spent up to now is 60.4 secs Computing kpt #: 480 total cpu time spent up to now is 60.5 secs Computing kpt #: 481 total cpu time spent up to now is 60.6 secs Computing kpt #: 482 total cpu time spent up to now is 60.8 secs Computing kpt #: 483 total cpu time spent up to now is 60.9 secs Computing kpt #: 484 total cpu time spent up to now is 61.0 secs Computing kpt #: 485 total cpu time spent up to now is 61.1 secs Computing kpt #: 486 total cpu time spent up to now is 61.2 secs Computing kpt #: 487 total cpu time spent up to now is 61.3 secs Computing kpt #: 488 total cpu time spent up to now is 61.5 secs Computing kpt #: 489 total cpu time spent up to now is 61.6 secs Computing kpt #: 490 total cpu time spent up to now is 61.7 secs Computing kpt #: 491 total cpu time spent up to now is 61.8 secs Computing kpt #: 492 total cpu time spent up to now is 61.9 secs Computing kpt #: 493 total cpu time spent up to now is 62.0 secs Computing kpt #: 494 total cpu time spent up to now is 62.2 secs Computing kpt #: 495 total cpu time spent up to now is 62.3 secs Computing kpt #: 496 total cpu time spent up to now is 62.4 secs Computing kpt #: 497 total cpu time spent up to now is 62.5 secs Computing kpt #: 498 total cpu time spent up to now is 62.6 secs Computing kpt #: 499 total cpu time spent up to now is 62.7 secs Computing kpt #: 500 total cpu time spent up to now is 62.8 secs Computing kpt #: 501 total cpu time spent up to now is 62.9 secs Computing kpt #: 502 total cpu time spent up to now is 63.0 secs Computing kpt #: 503 total cpu time spent up to now is 63.1 secs Computing kpt #: 504 total cpu time spent up to now is 63.2 secs Computing kpt #: 505 total cpu time spent up to now is 63.3 secs Computing kpt #: 506 total cpu time spent up to now is 63.4 secs Computing kpt #: 507 total cpu time spent up to now is 63.5 secs Computing kpt #: 508 total cpu time spent up to now is 63.6 secs Computing kpt #: 509 total cpu time spent up to now is 63.7 secs Computing kpt #: 510 total cpu time spent up to now is 63.8 secs Computing kpt #: 511 total cpu time spent up to now is 63.9 secs Computing kpt #: 512 total cpu time spent up to now is 64.0 secs Computing kpt #: 513 total cpu time spent up to now is 64.1 secs Computing kpt #: 514 total cpu time spent up to now is 64.2 secs Computing kpt #: 515 total cpu time spent up to now is 64.3 secs Computing kpt #: 516 total cpu time spent up to now is 64.4 secs Computing kpt #: 517 total cpu time spent up to now is 64.5 secs Computing kpt #: 518 total cpu time spent up to now is 64.6 secs Computing kpt #: 519 total cpu time spent up to now is 64.7 secs Computing kpt #: 520 total cpu time spent up to now is 64.9 secs Computing kpt #: 521 total cpu time spent up to now is 65.0 secs Computing kpt #: 522 total cpu time spent up to now is 65.1 secs Computing kpt #: 523 total cpu time spent up to now is 65.2 secs Computing kpt #: 524 total cpu time spent up to now is 65.3 secs Computing kpt #: 525 total cpu time spent up to now is 65.4 secs Computing kpt #: 526 total cpu time spent up to now is 65.5 secs Computing kpt #: 527 total cpu time spent up to now is 65.6 secs Computing kpt #: 528 total cpu time spent up to now is 65.7 secs Computing kpt #: 529 total cpu time spent up to now is 65.8 secs Computing kpt #: 530 total cpu time spent up to now is 65.9 secs Computing kpt #: 531 total cpu time spent up to now is 66.0 secs Computing kpt #: 532 total cpu time spent up to now is 66.1 secs Computing kpt #: 533 total cpu time spent up to now is 66.2 secs Computing kpt #: 534 total cpu time spent up to now is 66.3 secs Computing kpt #: 535 total cpu time spent up to now is 66.4 secs Computing kpt #: 536 total cpu time spent up to now is 66.5 secs Computing kpt #: 537 total cpu time spent up to now is 66.6 secs Computing kpt #: 538 total cpu time spent up to now is 66.7 secs Computing kpt #: 539 total cpu time spent up to now is 66.8 secs Computing kpt #: 540 total cpu time spent up to now is 66.9 secs Computing kpt #: 541 total cpu time spent up to now is 67.0 secs Computing kpt #: 542 total cpu time spent up to now is 67.1 secs Computing kpt #: 543 total cpu time spent up to now is 67.2 secs Computing kpt #: 544 total cpu time spent up to now is 67.3 secs Computing kpt #: 545 total cpu time spent up to now is 67.4 secs Computing kpt #: 546 total cpu time spent up to now is 67.5 secs Computing kpt #: 547 total cpu time spent up to now is 67.7 secs Computing kpt #: 548 total cpu time spent up to now is 67.8 secs ethr = 4.55E-08, avg # of iterations = 13.2 total cpu time spent up to now is 67.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -9.3573 -9.3573 -4.9393 -4.9393 -2.8481 -2.8481 -1.6146 -1.6146 3.4631 3.4631 4.3032 4.3032 4.7847 4.7847 5.7364 5.7364 6.9739 6.9739 7.9130 7.9130 9.5375 9.5375 10.1744 10.1744 10.8360 10.8360 11.7319 11.7319 11.9670 11.9670 k = 0.0096-0.0000-0.0000 ( 1545 PWs) bands (ev): -9.3561 -9.3561 -4.9383 -4.9383 -2.8474 -2.8474 -1.6170 -1.6170 3.4643 3.4643 4.3003 4.3003 4.7829 4.7829 5.7349 5.7349 6.9748 6.9748 7.9141 7.9141 9.5378 9.5378 10.1732 10.1732 10.8366 10.8366 11.7281 11.7281 11.9631 11.9631 k = 0.0192-0.0000-0.0000 ( 1539 PWs) bands (ev): -9.3525 -9.3525 -4.9354 -4.9354 -2.8452 -2.8452 -1.6241 -1.6241 3.4679 3.4679 4.2914 4.2914 4.7773 4.7773 5.7304 5.7304 6.9774 6.9774 7.9173 7.9173 9.5381 9.5381 10.1696 10.1696 10.8384 10.8384 11.7163 11.7163 11.9515 11.9515 k = 0.0288-0.0000-0.0000 ( 1535 PWs) bands (ev): -9.3464 -9.3464 -4.9307 -4.9307 -2.8417 -2.8417 -1.6360 -1.6360 3.4740 3.4740 4.2767 4.2767 4.7683 4.7683 5.7230 5.7230 6.9817 6.9817 7.9225 7.9225 9.5387 9.5387 10.1637 10.1637 10.8414 10.8414 11.6966 11.6966 11.9322 11.9322 k = 0.0385-0.0000-0.0000 ( 1536 PWs) bands (ev): -9.3379 -9.3379 -4.9240 -4.9240 -2.8369 -2.8369 -1.6526 -1.6526 3.4824 3.4824 4.2562 4.2562 4.7557 4.7557 5.7126 5.7126 6.9876 6.9876 7.9298 7.9298 9.5395 9.5395 10.1556 10.1556 10.8455 10.8455 11.6694 11.6694 11.9053 11.9053 k = 0.0481-0.0000-0.0000 ( 1536 PWs) bands (ev): -9.3270 -9.3270 -4.9154 -4.9154 -2.8306 -2.8306 -1.6739 -1.6739 3.4932 3.4932 4.2301 4.2301 4.7398 4.7398 5.6995 5.6995 6.9953 6.9953 7.9390 7.9390 9.5404 9.5404 10.1457 10.1457 10.8506 10.8506 11.6348 11.6348 11.8710 11.8710 k = 0.0577-0.0000-0.0000 ( 1536 PWs) bands (ev): -9.3137 -9.3137 -4.9050 -4.9050 -2.8230 -2.8230 -1.6999 -1.6999 3.5064 3.5064 4.1985 4.1985 4.7207 4.7207 5.6837 5.6837 7.0046 7.0046 7.9502 7.9502 9.5415 9.5415 10.1343 10.1343 10.8566 10.8566 11.5933 11.5933 11.8294 11.8294 k = 0.0673-0.0000-0.0000 ( 1536 PWs) bands (ev): -9.2979 -9.2979 -4.8927 -4.8927 -2.8141 -2.8141 -1.7306 -1.7306 3.5220 3.5220 4.1616 4.1616 4.6986 4.6986 5.6654 5.6654 7.0156 7.0156 7.9633 7.9633 9.5428 9.5428 10.1216 10.1216 10.8634 10.8634 11.5453 11.5453 11.7808 11.7808 k = 0.0769-0.0000-0.0000 ( 1540 PWs) bands (ev): -9.2798 -9.2798 -4.8785 -4.8785 -2.8038 -2.8038 -1.7659 -1.7659 3.5400 3.5400 4.1196 4.1196 4.6738 4.6738 5.6448 5.6448 7.0283 7.0283 7.9783 7.9783 9.5442 9.5442 10.1081 10.1081 10.8708 10.8708 11.4911 11.4911 11.7255 11.7255 k = 0.0865-0.0000-0.0000 ( 1540 PWs) bands (ev): -9.2592 -9.2592 -4.8626 -4.8626 -2.7923 -2.7923 -1.8058 -1.8058 3.5604 3.5604 4.0728 4.0728 4.6465 4.6465 5.6220 5.6220 7.0426 7.0426 7.9951 7.9951 9.5456 9.5456 10.0940 10.0940 10.8783 10.8783 11.4318 11.4318 11.6637 11.6637 k = 0.0962-0.0000-0.0000 ( 1548 PWs) bands (ev): -9.2363 -9.2363 -4.8448 -4.8448 -2.7796 -2.7796 -1.8502 -1.8502 3.5831 3.5831 4.0215 4.0215 4.6168 4.6168 5.5974 5.5974 7.0585 7.0585 8.0136 8.0136 9.5471 9.5471 10.0796 10.0796 10.8851 10.8851 11.3684 11.3684 11.5957 11.5957 k = 0.1058-0.0000-0.0000 ( 1554 PWs) bands (ev): -9.2109 -9.2109 -4.8253 -4.8253 -2.7656 -2.7656 -1.8990 -1.8990 3.6082 3.6082 3.9658 3.9658 4.5849 4.5849 5.5713 5.5713 7.0760 7.0760 8.0338 8.0338 9.5486 9.5486 10.0650 10.0650 10.8902 10.8902 11.3024 11.3024 11.5219 11.5219 k = 0.1154-0.0000-0.0000 ( 1552 PWs) bands (ev): -9.1832 -9.1832 -4.8041 -4.8041 -2.7506 -2.7506 -1.9521 -1.9521 3.6357 3.6357 3.9063 3.9063 4.5510 4.5510 5.5440 5.5440 7.0951 7.0951 8.0557 8.0557 9.5500 9.5500 10.0507 10.0507 10.8909 10.8909 11.2367 11.2367 11.4425 11.4425 k = 0.1250-0.0000-0.0000 ( 1554 PWs) bands (ev): -9.1530 -9.1530 -4.7811 -4.7811 -2.7344 -2.7344 -2.0095 -2.0095 3.6653 3.6653 3.8431 3.8431 4.5151 4.5151 5.5159 5.5159 7.1158 7.1158 8.0791 8.0791 9.5513 9.5513 10.0366 10.0366 10.8827 10.8827 11.1764 11.1764 11.3581 11.3581 k = 0.1346-0.0000-0.0000 ( 1554 PWs) bands (ev): -9.1205 -9.1205 -4.7566 -4.7566 -2.7172 -2.7172 -2.0710 -2.0710 3.6967 3.6967 3.7773 3.7773 4.4773 4.4773 5.4874 5.4874 7.1381 7.1381 8.1041 8.1041 9.5524 9.5524 10.0231 10.0231 10.8576 10.8576 11.1293 11.1293 11.2690 11.2690 k = 0.1442-0.0000-0.0000 ( 1550 PWs) bands (ev): -9.0856 -9.0856 -4.7305 -4.7305 -2.6990 -2.6990 -2.1364 -2.1364 3.7014 3.7014 3.7374 3.7374 4.4375 4.4375 5.4591 5.4591 7.1619 7.1619 8.1305 8.1305 9.5534 9.5534 10.0102 10.0102 10.8095 10.8095 11.1013 11.1013 11.1764 11.1764 k = 0.1538-0.0000-0.0000 ( 1548 PWs) bands (ev): -9.0484 -9.0484 -4.7030 -4.7030 -2.6800 -2.6800 -2.2056 -2.2056 3.6322 3.6322 3.7711 3.7711 4.3957 4.3957 5.4315 5.4315 7.1871 7.1871 8.1583 8.1583 9.5540 9.5540 9.9980 9.9980 10.7398 10.7398 11.0678 11.0678 11.1042 11.1042 k = 0.1635-0.0000-0.0000 ( 1548 PWs) bands (ev): -9.0088 -9.0088 -4.6740 -4.6740 -2.6601 -2.6601 -2.2784 -2.2784 3.5576 3.5576 3.8100 3.8100 4.3518 4.3518 5.4049 5.4049 7.2138 7.2138 8.1873 8.1873 9.5543 9.5543 9.9863 9.9863 10.6553 10.6553 10.9714 10.9714 11.1035 11.1035 k = 0.1731-0.0000-0.0000 ( 1548 PWs) bands (ev): -8.9668 -8.9668 -4.6438 -4.6438 -2.6396 -2.6396 -2.3545 -2.3545 3.4807 3.4807 3.8515 3.8515 4.3057 4.3057 5.3801 5.3801 7.2419 7.2419 8.2176 8.2176 9.5542 9.5542 9.9755 9.9755 10.5614 10.5614 10.8665 10.8665 11.1152 11.1152 k = 0.1827-0.0000-0.0000 ( 1552 PWs) bands (ev): -8.9225 -8.9225 -4.6124 -4.6124 -2.6184 -2.6184 -2.4337 -2.4337 3.4020 3.4020 3.8953 3.8953 4.2574 4.2574 5.3574 5.3574 7.2713 7.2713 8.2490 8.2490 9.5536 9.5536 9.9653 9.9653 10.4612 10.4612 10.7578 10.7578 11.1322 11.1322 k = 0.1923-0.0000-0.0000 ( 1552 PWs) bands (ev): -8.8759 -8.8759 -4.5800 -4.5800 -2.5967 -2.5967 -2.5157 -2.5157 3.3220 3.3220 3.9415 3.9415 4.2066 4.2066 5.3375 5.3375 7.3021 7.3021 8.2817 8.2817 9.5524 9.5524 9.9558 9.9558 10.3564 10.3564 10.6461 10.6461 11.1525 11.1525 k = 0.2019-0.0000-0.0000 ( 1556 PWs) bands (ev): -8.8270 -8.8270 -4.5469 -4.5469 -2.6002 -2.6002 -2.5745 -2.5745 3.2408 3.2408 3.9896 3.9896 4.1536 4.1536 5.3206 5.3206 7.3341 7.3341 8.3154 8.3154 9.5505 9.5505 9.9470 9.9470 10.2481 10.2481 10.5318 10.5318 11.1753 11.1753 k = 0.2115-0.0000-0.0000 ( 1552 PWs) bands (ev): -8.7758 -8.7758 -4.5133 -4.5133 -2.6866 -2.6866 -2.5522 -2.5522 3.1590 3.1590 4.0382 4.0382 4.0999 4.0999 5.3074 5.3074 7.3673 7.3673 8.3502 8.3502 9.5480 9.5480 9.9389 9.9389 10.1370 10.1370 10.4152 10.4152 11.2001 11.2001 k = 0.2212-0.0000-0.0000 ( 1552 PWs) bands (ev): -8.7223 -8.7223 -4.4795 -4.4795 -2.7745 -2.7745 -2.5297 -2.5297 3.0768 3.0768 4.0335 4.0335 4.0990 4.0990 5.2980 5.2980 7.4017 7.4017 8.3860 8.3860 9.5446 9.5446 9.9313 9.9313 10.0237 10.0237 10.2965 10.2965 11.2266 11.2266 k = 0.2308-0.0000-0.0000 ( 1554 PWs) bands (ev): -8.6665 -8.6665 -4.4461 -4.4461 -2.8633 -2.8633 -2.5072 -2.5072 2.9947 2.9947 3.9742 3.9742 4.1522 4.1522 5.2928 5.2928 7.4370 7.4370 8.4227 8.4227 9.5403 9.5403 9.9086 9.9086 9.9241 9.9241 10.1761 10.1761 11.2545 11.2545 k = 0.2404-0.0000-0.0000 ( 1558 PWs) bands (ev): -8.6085 -8.6085 -4.4135 -4.4135 -2.9523 -2.9523 -2.4848 -2.4848 2.9130 2.9130 3.9105 3.9105 4.2096 4.2096 5.2919 5.2919 7.4733 7.4733 8.4602 8.4602 9.5351 9.5351 9.7919 9.7919 9.9173 9.9173 10.0543 10.0543 11.2838 11.2838 k = 0.2500-0.0000-0.0000 ( 1558 PWs) bands (ev): -8.5482 -8.5482 -4.3827 -4.3827 -3.0405 -3.0405 -2.4629 -2.4629 2.8320 2.8320 3.8440 3.8440 4.2695 4.2695 5.2954 5.2954 7.5105 7.5105 8.4985 8.4985 9.5288 9.5288 9.6741 9.6741 9.9105 9.9105 9.9317 9.9317 11.3143 11.3143 k = 0.2596-0.0000-0.0000 ( 1556 PWs) bands (ev): -8.4857 -8.4857 -4.3548 -4.3548 -3.1265 -3.1265 -2.4415 -2.4415 2.7520 2.7520 3.7751 3.7751 4.3318 4.3318 5.3035 5.3035 7.5483 7.5483 8.5375 8.5375 9.5211 9.5211 9.5555 9.5555 9.8075 9.8075 9.9048 9.9048 11.3460 11.3460 k = 0.2692-0.0000-0.0000 ( 1556 PWs) bands (ev): -8.4210 -8.4210 -4.3313 -4.3313 -3.2086 -3.2086 -2.4208 -2.4208 2.6736 2.6736 3.7040 3.7040 4.3964 4.3964 5.3162 5.3162 7.5867 7.5867 8.5772 8.5772 9.4356 9.4356 9.5129 9.5129 9.6833 9.6833 9.8986 9.8986 11.3788 11.3788 k = 0.2788-0.0000-0.0000 ( 1560 PWs) bands (ev): -8.3541 -8.3541 -4.3144 -4.3144 -3.2848 -3.2848 -2.4010 -2.4010 2.5971 2.5971 3.6311 3.6311 4.4632 4.4632 5.3333 5.3333 7.6254 7.6254 8.6175 8.6175 9.3156 9.3156 9.5029 9.5029 9.5589 9.5589 9.8924 9.8924 11.4126 11.4126 k = 0.2885-0.0000-0.0000 ( 1566 PWs) bands (ev): -8.2851 -8.2851 -4.3067 -4.3067 -3.3520 -3.3520 -2.3825 -2.3825 2.5227 2.5227 3.5564 3.5564 4.5322 4.5322 5.3548 5.3548 7.6642 7.6642 8.6582 8.6582 9.1953 9.1953 9.4348 9.4348 9.4917 9.4917 9.8860 9.8860 11.4474 11.4474 k = 0.2981-0.0000-0.0000 ( 1566 PWs) bands (ev): -8.2139 -8.2139 -4.3112 -4.3112 -3.4072 -3.4072 -2.3653 -2.3653 2.4510 2.4510 3.4804 3.4804 4.6035 4.6035 5.3808 5.3808 7.7026 7.7026 8.6993 8.6993 9.0749 9.0749 9.3115 9.3115 9.4790 9.4790 9.8793 9.8793 11.4832 11.4832 k = 0.3077-0.0000-0.0000 ( 1566 PWs) bands (ev): -8.1406 -8.1406 -4.3308 -4.3308 -3.4475 -3.4475 -2.3498 -2.3498 2.3822 2.3822 3.4032 3.4032 4.6769 4.6769 5.4110 5.4110 7.7403 7.7403 8.7407 8.7407 8.9547 8.9547 9.1895 9.1895 9.4649 9.4649 9.8725 9.8725 11.5199 11.5199 k = 0.3173-0.0000-0.0000 ( 1568 PWs) bands (ev): -8.0652 -8.0652 -4.3671 -4.3671 -3.4710 -3.4710 -2.3362 -2.3362 2.3168 2.3168 3.3252 3.3252 4.7525 4.7525 5.4454 5.4454 7.7765 7.7765 8.7808 8.7808 8.8360 8.8360 9.0697 9.0697 9.4492 9.4492 9.8651 9.8651 11.5574 11.5574 k = 0.3269-0.0000-0.0000 ( 1564 PWs) bands (ev): -7.9877 -7.9877 -4.4200 -4.4200 -3.4778 -3.4778 -2.3247 -2.3247 2.2551 2.2551 3.2467 3.2467 4.8302 4.8302 5.4840 5.4840 7.8102 7.8102 8.7130 8.7130 8.8252 8.8252 8.9539 8.9539 9.4320 9.4320 9.8572 9.8572 11.5959 11.5959 k = 0.3365-0.0000-0.0000 ( 1568 PWs) bands (ev): -7.9082 -7.9082 -4.4877 -4.4877 -3.4698 -3.4698 -2.3156 -2.3156 2.1975 2.1975 3.1679 3.1679 4.9100 4.9100 5.5264 5.5264 7.8398 7.8398 8.5942 8.5942 8.8334 8.8334 8.8753 8.8753 9.4131 9.4131 9.8487 9.8487 11.6351 11.6351 k = 0.3462-0.0000-0.0000 ( 1568 PWs) bands (ev): -7.8266 -7.8266 -4.5673 -4.5673 -3.4495 -3.4495 -2.3091 -2.3091 2.1442 2.1442 3.0890 3.0890 4.9918 4.9918 5.5726 5.5726 7.8630 7.8630 8.4756 8.4756 8.7337 8.7337 8.9124 8.9124 9.3926 9.3926 9.8393 9.8393 11.6751 11.6751 k = 0.3558-0.0000-0.0000 ( 1572 PWs) bands (ev): -7.7431 -7.7431 -4.6562 -4.6562 -3.4198 -3.4198 -2.3055 -2.3055 2.0958 2.0958 3.0105 3.0105 5.0758 5.0758 5.6224 5.6224 7.8760 7.8760 8.3577 8.3577 8.6403 8.6403 8.9541 8.9541 9.3704 9.3704 9.8290 9.8290 11.7159 11.7159 k = 0.3654-0.0000-0.0000 ( 1568 PWs) bands (ev): -7.6577 -7.6577 -4.7520 -4.7520 -3.3827 -3.3827 -2.3050 -2.3050 2.0523 2.0523 2.9325 2.9325 5.1617 5.1617 5.6759 5.6759 7.8740 7.8740 8.2409 8.2409 8.5625 8.5625 8.9962 8.9962 9.3466 9.3466 9.8178 9.8178 11.7573 11.7573 k = 0.3750-0.0000-0.0000 ( 1564 PWs) bands (ev): -7.5703 -7.5703 -4.8529 -4.8529 -3.3403 -3.3403 -2.3077 -2.3077 2.0142 2.0142 2.8553 2.8553 5.2497 5.2497 5.7329 5.7329 7.8512 7.8512 8.1250 8.1250 8.5060 8.5060 9.0382 9.0382 9.3211 9.3211 9.8056 9.8056 11.7994 11.7994 k = 0.3846-0.0000-0.0000 ( 1554 PWs) bands (ev): -7.4811 -7.4811 -4.9575 -4.9575 -3.2938 -3.2938 -2.3138 -2.3138 1.9817 1.9817 2.7792 2.7792 5.3397 5.3397 5.7933 5.7933 7.8046 7.8046 8.0104 8.0104 8.4742 8.4742 9.0799 9.0799 9.2941 9.2941 9.7922 9.7922 11.8421 11.8421 k = 0.3942-0.0000-0.0000 ( 1554 PWs) bands (ev): -7.3900 -7.3900 -5.0648 -5.0648 -3.2444 -3.2444 -2.3236 -2.3236 1.9549 1.9549 2.7044 2.7044 5.4315 5.4315 5.8569 5.8569 7.7357 7.7357 7.8970 7.8970 8.4654 8.4654 9.1211 9.1211 9.2654 9.2654 9.7776 9.7776 11.8854 11.8854 k = 0.4038-0.0000-0.0000 ( 1554 PWs) bands (ev): -7.2972 -7.2972 -5.1740 -5.1740 -3.1928 -3.1928 -2.3370 -2.3370 1.9340 1.9340 2.6313 2.6313 5.5254 5.5254 5.9237 5.9237 7.6499 7.6499 7.7848 7.7848 8.4745 8.4745 9.1615 9.1615 9.2354 9.2354 9.7616 9.7616 11.9292 11.9292 k = 0.4135-0.0000-0.0000 ( 1550 PWs) bands (ev): -7.2026 -7.2026 -5.2844 -5.2844 -3.1396 -3.1396 -2.3541 -2.3541 1.9191 1.9191 2.5601 2.5601 5.6211 5.6211 5.9937 5.9937 7.5526 7.5526 7.6739 7.6739 8.4960 8.4960 9.1942 9.1942 9.2108 9.2108 9.7445 9.7445 11.9735 11.9735 k = 0.4231-0.0000-0.0000 ( 1550 PWs) bands (ev): -7.1063 -7.1063 -5.3957 -5.3957 -3.0855 -3.0855 -2.3750 -2.3750 1.9104 1.9104 2.4911 2.4911 5.7185 5.7185 6.0665 6.0665 7.4483 7.4483 7.5642 7.5642 8.5257 8.5257 9.1678 9.1678 9.2433 9.2433 9.7259 9.7259 12.0181 12.0181 k = 0.4327-0.0000-0.0000 ( 1550 PWs) bands (ev): -7.0083 -7.0083 -5.5075 -5.5075 -3.0308 -3.0308 -2.3996 -2.3996 1.9077 1.9077 2.4245 2.4245 5.8177 5.8177 6.1422 6.1422 7.3398 7.3398 7.4558 7.4558 8.5607 8.5607 9.1332 9.1332 9.2817 9.2817 9.7059 9.7059 12.0630 12.0630 k = 0.4423-0.0000-0.0000 ( 1558 PWs) bands (ev): -6.9088 -6.9088 -5.6194 -5.6194 -2.9760 -2.9760 -2.4278 -2.4278 1.9111 1.9111 2.3606 2.3606 5.9186 5.9186 6.2206 6.2206 7.2288 7.2288 7.3489 7.3489 8.5992 8.5992 9.0968 9.0968 9.3196 9.3196 9.6844 9.6844 12.1082 12.1082 k = 0.4519-0.0000-0.0000 ( 1558 PWs) bands (ev): -6.8078 -6.8078 -5.7312 -5.7312 -2.9215 -2.9215 -2.4595 -2.4595 1.9204 1.9204 2.2998 2.2998 6.0212 6.0212 6.3018 6.3018 7.1165 7.1165 7.2437 7.2437 8.6400 8.6400 9.0591 9.0591 9.3566 9.3566 9.6616 9.6616 12.1536 12.1536 k = 0.4615-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.7053 -6.7053 -5.8427 -5.8427 -2.8675 -2.8675 -2.4945 -2.4945 1.9356 1.9356 2.2422 2.2422 6.1254 6.1254 6.3856 6.3856 7.0038 7.0038 7.1401 7.1401 8.6821 8.6821 9.0202 9.0202 9.3927 9.3927 9.6372 9.6372 12.1991 12.1991 k = 0.4712-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.6014 -6.6014 -5.9537 -5.9537 -2.8145 -2.8145 -2.5328 -2.5328 1.9565 1.9565 2.1883 2.1883 6.2311 6.2311 6.4719 6.4719 6.8911 6.8911 7.0384 7.0384 8.7250 8.7250 8.9801 8.9801 9.4277 9.4277 9.6114 9.6114 12.2446 12.2446 k = 0.4808-0.0000-0.0000 ( 1568 PWs) bands (ev): -6.4962 -6.4962 -6.0640 -6.0640 -2.7626 -2.7626 -2.5739 -2.5739 1.9829 1.9829 2.1383 2.1383 6.3382 6.3382 6.5606 6.5606 6.7788 6.7788 6.9386 6.9386 8.7683 8.7683 8.9390 8.9390 9.4615 9.4615 9.5842 9.5842 12.2901 12.2901 k = 0.4904-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.3897 -6.3897 -6.1736 -6.1736 -2.7124 -2.7124 -2.6177 -2.6177 2.0145 2.0145 2.0925 2.0925 6.4466 6.4466 6.6511 6.6511 6.6678 6.6678 6.8409 6.8409 8.8116 8.8116 8.8972 8.8972 9.4942 9.4942 9.5556 9.5556 12.3354 12.3354 k = 0.5000-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.2822 -6.2822 -6.2822 -6.2822 -2.6640 -2.6640 -2.6640 -2.6640 2.0511 2.0511 2.0511 2.0511 6.5563 6.5563 6.5563 6.5563 6.7453 6.7453 6.7453 6.7453 8.8546 8.8546 8.8546 8.8546 9.5256 9.5256 9.5256 9.5256 12.3805 12.3805 k = 0.5000-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.2822 -6.2822 -6.2822 -6.2822 -2.6640 -2.6640 -2.6640 -2.6640 2.0511 2.0511 2.0511 2.0511 6.5563 6.5563 6.5563 6.5563 6.7453 6.7453 6.7453 6.7453 8.8546 8.8546 8.8546 8.8546 9.5256 9.5256 9.5256 9.5256 12.3805 12.3805 k = 0.5000 0.0096-0.0000 ( 1568 PWs) bands (ev): -6.2813 -6.2813 -6.2813 -6.2813 -2.6634 -2.6634 -2.6634 -2.6634 2.0519 2.0519 2.0520 2.0520 6.4453 6.4453 6.4514 6.4514 6.8504 6.8504 6.8562 6.8562 8.8444 8.8444 8.8481 8.8481 9.5266 9.5266 9.5296 9.5296 12.3807 12.3813 k = 0.5000 0.0193-0.0000 ( 1572 PWs) bands (ev): -6.2789 -6.2789 -6.2789 -6.2789 -2.6616 -2.6616 -2.6616 -2.6616 2.0545 2.0545 2.0546 2.0546 6.2773 6.2773 6.2840 6.2840 7.0180 7.0180 7.0243 7.0243 8.8182 8.8182 8.8254 8.8254 9.5325 9.5325 9.5381 9.5381 12.3804 12.3826 k = 0.5000 0.0289-0.0000 ( 1568 PWs) bands (ev): -6.2748 -6.2748 -6.2748 -6.2748 -2.6587 -2.6587 -2.6587 -2.6587 2.0587 2.0587 2.0590 2.0590 6.1029 6.1029 6.1098 6.1098 7.1924 7.1924 7.1987 7.1987 8.7780 8.7780 8.7882 8.7882 9.5417 9.5417 9.5495 9.5495 12.3809 12.3809 k = 0.5000 0.0385-0.0000 ( 1568 PWs) bands (ev): -6.2690 -6.2690 -6.2690 -6.2690 -2.6546 -2.6546 -2.6546 -2.6546 2.0647 2.0647 2.0650 2.0650 5.9272 5.9272 5.9343 5.9343 7.3679 7.3679 7.3740 7.3740 8.7262 8.7262 8.7389 8.7389 9.5523 9.5523 9.5618 9.5618 12.3819 12.3821 k = 0.5000 0.0482-0.0000 ( 1568 PWs) bands (ev): -6.2617 -6.2617 -6.2617 -6.2617 -2.6494 -2.6494 -2.6494 -2.6494 2.0723 2.0723 2.0728 2.0728 5.7516 5.7516 5.7588 5.7588 7.5426 7.5426 7.5483 7.5483 8.6652 8.6652 8.6801 8.6801 9.5624 9.5624 9.5731 9.5731 12.3831 12.3832 k = 0.5000 0.0578-0.0000 ( 1570 PWs) bands (ev): -6.2527 -6.2527 -6.2527 -6.2527 -2.6430 -2.6430 -2.6430 -2.6430 2.0816 2.0816 2.0821 2.0821 5.5767 5.5767 5.5840 5.5840 7.7147 7.7147 7.7199 7.7199 8.5979 8.5979 8.6148 8.6148 9.5706 9.5706 9.5821 9.5821 12.3845 12.3845 k = 0.5000 0.0674-0.0000 ( 1566 PWs) bands (ev): -6.2422 -6.2422 -6.2421 -6.2421 -2.6355 -2.6355 -2.6355 -2.6355 2.0925 2.0925 2.0932 2.0932 5.4027 5.4027 5.4102 5.4102 7.8812 7.8812 7.8855 7.8855 8.5288 8.5288 8.5477 8.5477 9.5755 9.5755 9.5876 9.5876 12.3859 12.3859 k = 0.5000 0.0770-0.0000 ( 1566 PWs) bands (ev): -6.2301 -6.2301 -6.2300 -6.2300 -2.6269 -2.6269 -2.6269 -2.6269 2.1049 2.1049 2.1057 2.1057 5.2299 5.2299 5.2376 5.2376 8.0326 8.0326 8.0355 8.0355 8.4679 8.4679 8.4892 8.4892 9.5764 9.5764 9.5889 9.5889 12.3871 12.3871 k = 0.5000 0.0867-0.0000 ( 1566 PWs) bands (ev): -6.2164 -6.2164 -6.2164 -6.2164 -2.6172 -2.6172 -2.6172 -2.6172 2.1188 2.1188 2.1198 2.1198 5.0586 5.0586 5.0665 5.0665 8.1353 8.1353 8.1380 8.1380 8.4498 8.4498 8.4720 8.4720 9.5727 9.5727 9.5855 9.5855 12.3881 12.3881 k = 0.5000 0.0963-0.0000 ( 1570 PWs) bands (ev): -6.2012 -6.2012 -6.2012 -6.2012 -2.6065 -2.6065 -2.6064 -2.6064 2.1341 2.1341 2.1353 2.1353 4.8890 4.8890 4.8971 4.8971 8.1362 8.1362 8.1436 8.1436 8.5281 8.5281 8.5462 8.5462 9.5641 9.5641 9.5770 9.5770 12.3888 12.3888 k = 0.5000 0.1059-0.0000 ( 1574 PWs) bands (ev): -6.1846 -6.1846 -6.1845 -6.1845 -2.5947 -2.5947 -2.5947 -2.5947 2.1508 2.1508 2.1522 2.1522 4.7214 4.7214 4.7298 4.7298 8.0703 8.0703 8.0817 8.0817 8.6682 8.6682 8.6829 8.6829 9.5503 9.5503 9.5633 9.5633 12.3891 12.3891 k = 0.5000 0.1156-0.0000 ( 1578 PWs) bands (ev): -6.1665 -6.1665 -6.1664 -6.1664 -2.5819 -2.5819 -2.5819 -2.5819 2.1686 2.1686 2.1703 2.1703 4.5559 4.5559 4.5646 4.5646 7.9819 7.9819 7.9954 7.9954 8.8262 8.8262 8.8394 8.8394 9.5314 9.5314 9.5445 9.5445 12.3890 12.3890 k = 0.5000 0.1252-0.0000 ( 1570 PWs) bands (ev): -6.1470 -6.1470 -6.1470 -6.1470 -2.5681 -2.5681 -2.5681 -2.5681 2.1874 2.1874 2.1894 2.1894 4.3929 4.3929 4.4019 4.4019 7.8845 7.8845 7.8993 7.8993 8.9890 8.9890 9.0014 9.0014 9.5076 9.5076 9.5207 9.5207 12.3885 12.3885 k = 0.5000 0.1348-0.0000 ( 1566 PWs) bands (ev): -6.1262 -6.1262 -6.1261 -6.1261 -2.5534 -2.5534 -2.5534 -2.5534 2.2070 2.2070 2.2094 2.2094 4.2326 4.2326 4.2421 4.2421 7.7824 7.7824 7.7980 7.7980 9.1524 9.1524 9.1643 9.1643 9.4792 9.4792 9.4921 9.4922 12.3876 12.3876 k = 0.5000 0.1445-0.0000 ( 1566 PWs) bands (ev): -6.1040 -6.1040 -6.1040 -6.1040 -2.5378 -2.5378 -2.5378 -2.5378 2.2271 2.2271 2.2300 2.2300 4.0755 4.0755 4.0855 4.0855 7.6771 7.6771 7.6933 7.6933 9.3133 9.3133 9.3244 9.3244 9.4484 9.4484 9.4606 9.4606 12.3862 12.3862 k = 0.5000 0.1541-0.0000 ( 1562 PWs) bands (ev): -6.0806 -6.0806 -6.0806 -6.0806 -2.5213 -2.5213 -2.5213 -2.5213 2.2473 2.2473 2.2507 2.2507 3.9220 3.9220 3.9327 3.9327 7.5699 7.5699 7.5865 7.5865 9.3982 9.3982 9.4091 9.4091 9.4880 9.4880 9.4979 9.4979 12.3845 12.3845 k = 0.5000 0.1637-0.0000 ( 1562 PWs) bands (ev): -6.0561 -6.0561 -6.0560 -6.0560 -2.5041 -2.5041 -2.5040 -2.5040 2.2671 2.2671 2.2711 2.2711 3.7728 3.7728 3.7842 3.7842 7.4614 7.4614 7.4783 7.4783 9.3598 9.3598 9.3726 9.3726 9.6414 9.6414 9.6533 9.6533 12.3825 12.3825 k = 0.5000 0.1734-0.0000 ( 1570 PWs) bands (ev): -6.0304 -6.0304 -6.0303 -6.0303 -2.4860 -2.4860 -2.4860 -2.4860 2.2855 2.2855 2.2904 2.2904 3.6287 3.6287 3.6410 3.6410 7.3519 7.3519 7.3691 7.3691 9.3138 9.3138 9.3267 9.3267 9.7976 9.7976 9.8098 9.8098 12.3804 12.3804 k = 0.5000 0.1830-0.0000 ( 1570 PWs) bands (ev): -6.0036 -6.0036 -6.0035 -6.0035 -2.4673 -2.4673 -2.4672 -2.4672 2.3015 2.3015 2.3074 2.3074 3.4910 3.4910 3.5044 3.5044 7.2421 7.2421 7.2595 7.2595 9.2638 9.2638 9.2766 9.2766 9.9518 9.9518 9.9642 9.9642 12.3781 12.3781 k = 0.5000 0.1926-0.0000 ( 1570 PWs) bands (ev): -5.9759 -5.9759 -5.9758 -5.9758 -2.4478 -2.4478 -2.4478 -2.4478 2.3134 2.3134 2.3205 2.3205 3.3614 3.3614 3.3762 3.3762 7.1322 7.1322 7.1497 7.1497 9.2103 9.2103 9.2230 9.2230 10.1030 10.1030 10.1158 10.1158 12.3758 12.3758 k = 0.5000 0.2023-0.0000 ( 1566 PWs) bands (ev): -5.9472 -5.9472 -5.9471 -5.9471 -2.4278 -2.4278 -2.4278 -2.4278 2.3186 2.3186 2.3272 2.3272 3.2425 3.2425 3.2588 3.2588 7.0225 7.0225 7.0402 7.0402 9.1540 9.1540 9.1665 9.1665 10.2511 10.2511 10.2643 10.2643 12.3736 12.3736 k = 0.5000 0.2119-0.0000 ( 1566 PWs) bands (ev): -5.9178 -5.9178 -5.9177 -5.9177 -2.4073 -2.4073 -2.4073 -2.4073 2.3138 2.3138 2.3238 2.3238 3.1380 3.1380 3.1559 3.1559 6.9133 6.9133 6.9310 6.9310 9.0951 9.0951 9.1074 9.1074 10.3957 10.3957 10.4093 10.4093 12.3714 12.3714 k = 0.5000 0.2215-0.0000 ( 1566 PWs) bands (ev): -5.8877 -5.8877 -5.8875 -5.8875 -2.3862 -2.3862 -2.3862 -2.3862 2.2948 2.2948 2.3061 2.3061 3.0524 3.0524 3.0717 3.0717 6.8047 6.8047 6.8225 6.8225 9.0340 9.0340 9.0463 9.0463 10.5366 10.5366 10.5507 10.5507 12.3694 12.3694 k = 0.5000 0.2311-0.0000 ( 1566 PWs) bands (ev): -5.8569 -5.8569 -5.8568 -5.8568 -2.3648 -2.3648 -2.3648 -2.3648 2.2580 2.2580 2.2699 2.2699 2.9898 2.9898 3.0098 3.0098 6.6972 6.6972 6.7150 6.7150 8.9714 8.9714 8.9834 8.9834 10.6735 10.6735 10.6882 10.6882 12.3675 12.3675 k = 0.5000 0.2408-0.0000 ( 1570 PWs) bands (ev): -5.8257 -5.8257 -5.8255 -5.8255 -2.3430 -2.3430 -2.3430 -2.3430 2.2022 2.2022 2.2138 2.2138 2.9518 2.9518 2.9716 2.9716 6.5907 6.5907 6.6085 6.6085 8.9074 8.9074 8.9192 8.9192 10.8063 10.8063 10.8215 10.8215 12.3658 12.3658 k = 0.5000 0.2504-0.0000 ( 1570 PWs) bands (ev): -5.7940 -5.7940 -5.7939 -5.7939 -2.3210 -2.3210 -2.3210 -2.3210 2.1294 2.1294 2.1400 2.1400 2.9361 2.9361 2.9550 2.9550 6.4856 6.4856 6.5033 6.5033 8.8425 8.8425 8.8540 8.8540 10.9346 10.9346 10.9506 10.9506 12.3643 12.3643 k = 0.5000 0.2600-0.0000 ( 1562 PWs) bands (ev): -5.7622 -5.7622 -5.7620 -5.7620 -2.2988 -2.2988 -2.2988 -2.2988 2.0441 2.0441 2.0534 2.0534 2.9381 2.9381 2.9559 2.9559 6.3820 6.3820 6.3997 6.3997 8.7772 8.7772 8.7885 8.7885 11.0586 11.0586 11.0754 11.0754 12.3632 12.3632 k = 0.5000 0.2697-0.0000 ( 1558 PWs) bands (ev): -5.7302 -5.7302 -5.7300 -5.7300 -2.2765 -2.2765 -2.2765 -2.2765 1.9508 1.9508 1.9588 1.9588 2.9530 2.9530 2.9696 2.9696 6.2801 6.2801 6.2977 6.2977 8.7118 8.7118 8.7227 8.7227 11.1777 11.1777 11.1953 11.1953 12.3623 12.3623 k = 0.5000 0.2793-0.0000 ( 1554 PWs) bands (ev): -5.6982 -5.6982 -5.6981 -5.6981 -2.2542 -2.2542 -2.2542 -2.2542 1.8532 1.8532 1.8600 1.8600 2.9771 2.9771 2.9926 2.9926 6.1800 6.1800 6.1975 6.1975 8.6467 8.6467 8.6573 8.6573 11.2918 11.2918 11.3105 11.3105 12.3617 12.3617 k = 0.5000 0.2889-0.0000 ( 1548 PWs) bands (ev): -5.6664 -5.6664 -5.6663 -5.6663 -2.2320 -2.2320 -2.2319 -2.2319 1.7540 1.7540 1.7597 1.7597 3.0076 3.0076 3.0222 3.0222 6.0820 6.0820 6.0993 6.0993 8.5822 8.5822 8.5926 8.5926 11.4008 11.4008 11.4205 11.4205 12.3614 12.3614 k = 0.5000 0.2986-0.0000 ( 1550 PWs) bands (ev): -5.6349 -5.6349 -5.6348 -5.6348 -2.2100 -2.2100 -2.2099 -2.2099 1.6551 1.6551 1.6600 1.6600 3.0428 3.0428 3.0566 3.0566 5.9860 5.9860 6.0032 6.0032 8.5188 8.5188 8.5287 8.5287 11.5043 11.5043 11.5253 11.5253 12.3613 12.3613 k = 0.5000 0.3082-0.0000 ( 1548 PWs) bands (ev): -5.6039 -5.6039 -5.6038 -5.6038 -2.1882 -2.1882 -2.1882 -2.1882 1.5579 1.5579 1.5621 1.5621 3.0813 3.0813 3.0945 3.0945 5.8926 5.8926 5.9095 5.9095 8.4568 8.4568 8.4663 8.4663 11.6024 11.6024 11.6248 11.6248 12.3615 12.3615 k = 0.5000 0.3178-0.0000 ( 1548 PWs) bands (ev): -5.5735 -5.5735 -5.5734 -5.5734 -2.1669 -2.1669 -2.1668 -2.1668 1.4633 1.4633 1.4669 1.4669 3.1223 3.1223 3.1350 3.1350 5.8016 5.8016 5.8183 5.8183 8.3965 8.3965 8.4056 8.4056 11.6947 11.6947 11.7187 11.7187 12.3620 12.3620 k = 0.5000 0.3275-0.0000 ( 1544 PWs) bands (ev): -5.5440 -5.5440 -5.5439 -5.5439 -2.1460 -2.1460 -2.1460 -2.1460 1.3722 1.3722 1.3752 1.3752 3.1651 3.1651 3.1773 3.1773 5.7134 5.7134 5.7298 5.7298 8.3383 8.3383 8.3470 8.3470 11.7810 11.7810 11.8069 11.8069 12.3628 12.3628 k = 0.5000 0.3371-0.0000 ( 1534 PWs) bands (ev): -5.5154 -5.5154 -5.5153 -5.5153 -2.1258 -2.1258 -2.1258 -2.1258 1.2850 1.2850 1.2877 1.2877 3.2091 3.2091 3.2208 3.2208 5.6282 5.6282 5.6442 5.6442 8.2827 8.2827 8.2909 8.2909 11.8613 11.8613 11.8892 11.8892 12.3641 12.3641 k = 0.5000 0.3467-0.0000 ( 1534 PWs) bands (ev): -5.4880 -5.4880 -5.4879 -5.4879 -2.1063 -2.1063 -2.1063 -2.1063 1.2024 1.2024 1.2047 1.2047 3.2537 3.2537 3.2650 3.2650 5.5461 5.5461 5.5616 5.5616 8.2296 8.2296 8.2373 8.2373 11.9351 11.9351 11.9653 11.9653 12.3658 12.3658 k = 0.5000 0.3563-0.0000 ( 1534 PWs) bands (ev): -5.4620 -5.4620 -5.4619 -5.4619 -2.0877 -2.0877 -2.0877 -2.0877 1.1248 1.1248 1.1267 1.1267 3.2985 3.2985 3.3094 3.3094 5.4675 5.4675 5.4825 5.4825 8.1796 8.1796 8.1868 8.1868 12.0022 12.0022 12.0350 12.0350 12.3682 12.3682 k = 0.5000 0.3660-0.0000 ( 1538 PWs) bands (ev): -5.4375 -5.4375 -5.4374 -5.4374 -2.0701 -2.0701 -2.0701 -2.0701 1.0525 1.0525 1.0541 1.0541 3.3430 3.3430 3.3535 3.3535 5.3927 5.3927 5.4071 5.4071 8.1330 8.1330 8.1396 8.1396 12.0624 12.0624 12.0978 12.0978 12.3714 12.3714 k = 0.5000 0.3756-0.0000 ( 1538 PWs) bands (ev): -5.4146 -5.4146 -5.4146 -5.4146 -2.0537 -2.0537 -2.0536 -2.0536 0.9858 0.9858 0.9873 0.9873 3.3868 3.3868 3.3968 3.3968 5.3220 5.3220 5.3358 5.3358 8.0899 8.0899 8.0959 8.0959 12.1154 12.1154 12.1533 12.1533 12.3761 12.3761 k = 0.5000 0.3852-0.0000 ( 1538 PWs) bands (ev): -5.3937 -5.3937 -5.3936 -5.3936 -2.0384 -2.0384 -2.0384 -2.0384 0.9253 0.9253 0.9265 0.9265 3.4292 3.4292 3.4386 3.4386 5.2561 5.2561 5.2690 5.2690 8.0506 8.0506 8.0561 8.0561 12.1609 12.1609 12.2007 12.2007 12.3828 12.3829 k = 0.5000 0.3949-0.0000 ( 1538 PWs) bands (ev): -5.3748 -5.3748 -5.3747 -5.3747 -2.0246 -2.0246 -2.0246 -2.0246 0.8710 0.8710 0.8720 0.8720 3.4696 3.4696 3.4783 3.4783 5.1953 5.1953 5.2072 5.2072 8.0155 8.0155 8.0203 8.0203 12.1989 12.1989 12.2389 12.2389 12.3925 12.3926 k = 0.5000 0.4045-0.0000 ( 1542 PWs) bands (ev): -5.3581 -5.3581 -5.3580 -5.3580 -2.0124 -2.0124 -2.0123 -2.0123 0.8234 0.8234 0.8242 0.8242 3.5073 3.5073 3.5153 3.5153 5.1404 5.1404 5.1511 5.1511 7.9846 7.9846 7.9888 7.9888 12.2295 12.2295 12.2673 12.2673 12.4057 12.4057 k = 0.5000 0.4141-0.0000 ( 1542 PWs) bands (ev): -5.3437 -5.3437 -5.3436 -5.3436 -2.0017 -2.0017 -2.0017 -2.0017 0.7826 0.7826 0.7833 0.7833 3.5415 3.5415 3.5486 3.5486 5.0921 5.0921 5.1014 5.1014 7.9583 7.9583 7.9618 7.9618 12.2535 12.2535 12.2865 12.2865 12.4218 12.4218 k = 0.5000 0.4238-0.0000 ( 1542 PWs) bands (ev): -5.3317 -5.3317 -5.3317 -5.3317 -1.9928 -1.9928 -1.9928 -1.9928 0.7490 0.7490 0.7495 0.7495 3.5714 3.5714 3.5774 3.5774 5.0511 5.0511 5.0589 5.0589 7.9365 7.9365 7.9393 7.9393 12.2717 12.2717 12.2983 12.2983 12.4390 12.4391 k = 0.5000 0.4334-0.0000 ( 1546 PWs) bands (ev): -5.3223 -5.3223 -5.3222 -5.3222 -1.9858 -1.9858 -1.9858 -1.9858 0.7226 0.7226 0.7230 0.7230 3.5961 3.5961 3.6008 3.6008 5.0183 5.0183 5.0244 5.0244 7.9195 7.9195 7.9217 7.9217 12.2851 12.2851 12.3049 12.3049 12.4551 12.4551 k = 0.5000 0.4430-0.0000 ( 1542 PWs) bands (ev): -5.3155 -5.3155 -5.3155 -5.3155 -1.9808 -1.9808 -1.9807 -1.9807 0.7037 0.7037 0.7039 0.7039 3.6148 3.6148 3.6180 3.6180 4.9945 4.9945 4.9987 4.9987 7.9074 7.9074 7.9089 7.9089 12.2949 12.2949 12.3078 12.3078 12.4684 12.4684 k = 0.5000 0.4527-0.0000 ( 1542 PWs) bands (ev): -5.3114 -5.3114 -5.3114 -5.3114 -1.9777 -1.9777 -1.9777 -1.9777 0.6923 0.6923 0.6924 0.6924 3.6267 3.6267 3.6283 3.6283 4.9804 4.9804 4.9825 4.9825 7.9003 7.9003 7.9010 7.9010 12.3016 12.3016 12.3080 12.3080 12.4780 12.4782 k = 0.5000 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3100 -5.3100 -5.3100 -5.3100 -1.9767 -1.9767 -1.9767 -1.9767 0.6885 0.6885 0.6885 0.6885 3.6312 3.6312 3.6312 3.6312 4.9763 4.9763 4.9763 4.9763 7.8981 7.8981 7.8981 7.8981 12.3060 12.3060 12.3060 12.3060 12.4833 12.4833 k = 0.5000 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3100 -5.3100 -5.3100 -5.3100 -1.9767 -1.9767 -1.9767 -1.9767 0.6885 0.6885 0.6885 0.6885 3.6312 3.6312 3.6312 3.6312 4.9763 4.9763 4.9763 4.9763 7.8981 7.8981 7.8981 7.8981 12.3060 12.3060 12.3060 12.3060 12.4833 12.4833 k = 0.4904 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3117 -5.3117 -5.3117 -5.3117 -1.9781 -1.9781 -1.9781 -1.9781 0.6928 0.6928 0.6929 0.6929 3.6266 3.6266 3.6281 3.6281 4.9803 4.9803 4.9823 4.9823 7.9007 7.9007 7.9014 7.9014 12.3024 12.3024 12.3076 12.3076 12.4798 12.4798 k = 0.4808 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3168 -5.3168 -5.3168 -5.3168 -1.9826 -1.9826 -1.9826 -1.9826 0.7058 0.7058 0.7060 0.7060 3.6144 3.6144 3.6174 3.6174 4.9940 4.9940 4.9980 4.9980 7.9091 7.9091 7.9105 7.9105 12.2969 12.2969 12.3073 12.3073 12.4746 12.4746 k = 0.4712 0.4623-0.0000 ( 1544 PWs) bands (ev): -5.3253 -5.3253 -5.3253 -5.3253 -1.9899 -1.9899 -1.9899 -1.9899 0.7273 0.7273 0.7276 0.7276 3.5950 3.5950 3.5994 3.5994 5.0171 5.0171 5.0230 5.0230 7.9233 7.9233 7.9254 7.9254 12.2893 12.2893 12.3048 12.3048 12.4677 12.4678 k = 0.4615 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3371 -5.3371 -5.3370 -5.3370 -2.0000 -2.0000 -1.9999 -1.9999 0.7573 0.7573 0.7577 0.7577 3.5694 3.5694 3.5750 3.5750 5.0490 5.0490 5.0566 5.0566 7.9432 7.9432 7.9460 7.9460 12.2796 12.2796 12.3001 12.3001 12.4596 12.4596 k = 0.4519 0.4623-0.0000 ( 1536 PWs) bands (ev): -5.3520 -5.3520 -5.3520 -5.3520 -2.0127 -2.0127 -2.0126 -2.0126 0.7954 0.7954 0.7960 0.7960 3.5381 3.5381 3.5447 3.5447 5.0890 5.0890 5.0981 5.0981 7.9686 7.9686 7.9721 7.9721 12.2675 12.2675 12.2925 12.2925 12.4506 12.4506 k = 0.4423 0.4623-0.0000 ( 1528 PWs) bands (ev): -5.3700 -5.3700 -5.3699 -5.3699 -2.0279 -2.0279 -2.0278 -2.0278 0.8415 0.8415 0.8422 0.8422 3.5021 3.5021 3.5096 3.5096 5.1363 5.1363 5.1466 5.1466 7.9993 7.9993 8.0035 8.0035 12.2528 12.2528 12.2819 12.2819 12.4412 12.4412 k = 0.4327 0.4623-0.0000 ( 1532 PWs) bands (ev): -5.3909 -5.3909 -5.3908 -5.3908 -2.0454 -2.0454 -2.0453 -2.0453 0.8952 0.8952 0.8960 0.8960 3.4622 3.4622 3.4704 3.4704 5.1901 5.1901 5.2015 5.2015 8.0352 8.0352 8.0400 8.0400 12.2351 12.2351 12.2675 12.2675 12.4317 12.4317 k = 0.4231 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.4145 -5.4145 -5.4144 -5.4144 -2.0650 -2.0650 -2.0649 -2.0649 0.9561 0.9561 0.9571 0.9571 3.4191 3.4191 3.4279 3.4279 5.2498 5.2498 5.2622 5.2622 8.0760 8.0760 8.0813 8.0813 12.2142 12.2142 12.2491 12.2491 12.4225 12.4225 k = 0.4135 0.4623-0.0000 ( 1536 PWs) bands (ev): -5.4407 -5.4407 -5.4406 -5.4406 -2.0865 -2.0865 -2.0864 -2.0864 1.0240 1.0240 1.0252 1.0252 3.3735 3.3735 3.3829 3.3829 5.3149 5.3149 5.3280 5.3280 8.1214 8.1214 8.1274 8.1274 12.1900 12.1900 12.2263 12.2263 12.4142 12.4142 k = 0.4038 0.4623-0.0000 ( 1536 PWs) bands (ev): -5.4692 -5.4692 -5.4691 -5.4691 -2.1096 -2.1096 -2.1096 -2.1096 1.0984 1.0984 1.0999 1.0999 3.3261 3.3261 3.3359 3.3359 5.3848 5.3848 5.3985 5.3985 8.1713 8.1713 8.1777 8.1777 12.1622 12.1622 12.1990 12.1990 12.4067 12.4067 k = 0.3942 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.4998 -5.4998 -5.4997 -5.4997 -2.1343 -2.1343 -2.1343 -2.1343 1.1790 1.1790 1.1807 1.1807 3.2775 3.2775 3.2876 3.2876 5.4590 5.4590 5.4733 5.4733 8.2251 8.2251 8.2321 8.2321 12.1306 12.1306 12.1671 12.1671 12.4001 12.4001 k = 0.3846 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.5324 -5.5324 -5.5322 -5.5322 -2.1603 -2.1603 -2.1603 -2.1603 1.2653 1.2653 1.2673 1.2673 3.2280 3.2280 3.2385 3.2385 5.5373 5.5373 5.5521 5.5521 8.2828 8.2828 8.2902 8.2902 12.0952 12.0952 12.1310 12.1310 12.3943 12.3943 k = 0.3750 0.4623-0.0000 ( 1534 PWs) bands (ev): -5.5666 -5.5666 -5.5665 -5.5665 -2.1875 -2.1875 -2.1874 -2.1874 1.3569 1.3569 1.3593 1.3593 3.1782 3.1782 3.1891 3.1891 5.6194 5.6194 5.6346 5.6346 8.3438 8.3438 8.3517 8.3517 12.0560 12.0560 12.0905 12.0905 12.3893 12.3893 k = 0.3654 0.4623-0.0000 ( 1534 PWs) bands (ev): -5.6024 -5.6024 -5.6023 -5.6023 -2.2156 -2.2156 -2.2155 -2.2155 1.4532 1.4532 1.4561 1.4561 3.1286 3.1286 3.1399 3.1399 5.7050 5.7050 5.7204 5.7204 8.4079 8.4079 8.4162 8.4162 12.0129 12.0129 12.0459 12.0459 12.3847 12.3847 k = 0.3558 0.4623-0.0000 ( 1534 PWs) bands (ev): -5.6395 -5.6395 -5.6393 -5.6393 -2.2445 -2.2445 -2.2445 -2.2445 1.5538 1.5538 1.5573 1.5573 3.0796 3.0796 3.0915 3.0915 5.7939 5.7939 5.8095 5.8095 8.4748 8.4748 8.4834 8.4834 11.9657 11.9657 11.9973 11.9973 12.3807 12.3807 k = 0.3462 0.4623-0.0000 ( 1534 PWs) bands (ev): -5.6776 -5.6776 -5.6775 -5.6775 -2.2741 -2.2741 -2.2741 -2.2741 1.6580 1.6580 1.6621 1.6621 3.0319 3.0319 3.0444 3.0444 5.8858 5.8858 5.9016 5.9016 8.5440 8.5440 8.5530 8.5530 11.9147 11.9147 11.9447 11.9447 12.3771 12.3771 k = 0.3365 0.4623-0.0000 ( 1534 PWs) bands (ev): -5.7166 -5.7166 -5.7165 -5.7165 -2.3042 -2.3042 -2.3041 -2.3041 1.7648 1.7648 1.7698 1.7698 2.9863 2.9863 2.9995 2.9995 5.9806 5.9806 5.9966 5.9966 8.6152 8.6152 8.6245 8.6245 11.8597 11.8597 11.8881 11.8881 12.3739 12.3739 k = 0.3269 0.4623-0.0000 ( 1538 PWs) bands (ev): -5.7563 -5.7563 -5.7562 -5.7562 -2.3347 -2.3347 -2.3346 -2.3346 1.8730 1.8730 1.8791 1.8791 2.9438 2.9438 2.9580 2.9580 6.0781 6.0781 6.0943 6.0943 8.6880 8.6880 8.6976 8.6976 11.8007 11.8007 11.8276 11.8276 12.3712 12.3712 k = 0.3173 0.4623-0.0000 ( 1542 PWs) bands (ev): -5.7965 -5.7965 -5.7964 -5.7964 -2.3654 -2.3654 -2.3653 -2.3653 1.9808 1.9808 1.9883 1.9883 2.9063 2.9063 2.9217 2.9217 6.1782 6.1782 6.1945 6.1945 8.7621 8.7621 8.7720 8.7720 11.7378 11.7378 11.7633 11.7633 12.3688 12.3688 k = 0.3077 0.4623-0.0000 ( 1542 PWs) bands (ev): -5.8370 -5.8370 -5.8369 -5.8369 -2.3962 -2.3962 -2.3962 -2.3962 2.0852 2.0852 2.0944 2.0944 2.8764 2.8764 2.8935 2.8935 6.2807 6.2807 6.2970 6.2970 8.8372 8.8372 8.8472 8.8472 11.6711 11.6711 11.6952 11.6952 12.3669 12.3669 k = 0.2981 0.4623-0.0000 ( 1538 PWs) bands (ev): -5.8777 -5.8777 -5.8775 -5.8775 -2.4271 -2.4271 -2.4271 -2.4271 2.1814 2.1814 2.1926 2.1926 2.8591 2.8591 2.8780 2.8780 6.3855 6.3855 6.4018 6.4018 8.9127 8.9127 8.9230 8.9230 11.6005 11.6005 11.6233 11.6233 12.3653 12.3653 k = 0.2885 0.4623-0.0000 ( 1538 PWs) bands (ev): -5.9183 -5.9183 -5.9182 -5.9182 -2.4579 -2.4579 -2.4579 -2.4579 2.2622 2.2622 2.2751 2.2751 2.8620 2.8620 2.8825 2.8825 6.4923 6.4923 6.5086 6.5086 8.9885 8.9885 8.9989 8.9989 11.5259 11.5259 11.5476 11.5476 12.3643 12.3643 k = 0.2788 0.4623-0.0000 ( 1542 PWs) bands (ev): -5.9588 -5.9588 -5.9586 -5.9586 -2.4885 -2.4885 -2.4885 -2.4885 2.3192 2.3192 2.3327 2.3327 2.8942 2.8942 2.9152 2.9152 6.6010 6.6010 6.6173 6.6173 9.0640 9.0640 9.0745 9.0745 11.4476 11.4476 11.4681 11.4681 12.3636 12.3636 k = 0.2692 0.4623-0.0000 ( 1542 PWs) bands (ev): -5.9990 -5.9990 -5.9988 -5.9988 -2.5189 -2.5189 -2.5189 -2.5189 2.3482 2.3482 2.3606 2.3606 2.9603 2.9603 2.9801 2.9801 6.7115 6.7115 6.7277 6.7277 9.1389 9.1389 9.1495 9.1495 11.3654 11.3654 11.3848 11.3848 12.3634 12.3634 k = 0.2596 0.4623-0.0000 ( 1538 PWs) bands (ev): -6.0387 -6.0387 -6.0385 -6.0385 -2.5489 -2.5489 -2.5489 -2.5489 2.3530 2.3530 2.3633 2.3633 3.0560 3.0560 3.0735 3.0735 6.8235 6.8235 6.8397 6.8397 9.2128 9.2128 9.2234 9.2234 11.2794 11.2794 11.2979 11.2979 12.3637 12.3637 k = 0.2500 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.0779 -6.0779 -6.0777 -6.0777 -2.5784 -2.5784 -2.5784 -2.5784 2.3410 2.3410 2.3492 2.3492 3.1725 3.1725 3.1878 3.1878 6.9368 6.9368 6.9530 6.9530 9.2853 9.2853 9.2960 9.2960 11.1897 11.1897 11.2072 11.2072 12.3644 12.3644 k = 0.2404 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.1163 -6.1163 -6.1162 -6.1162 -2.6074 -2.6074 -2.6074 -2.6074 2.3189 2.3189 2.3253 2.3253 3.3028 3.3028 3.3162 3.3162 7.0513 7.0513 7.0674 7.0674 9.3561 9.3561 9.3667 9.3667 11.0963 11.0963 11.1130 11.1130 12.3657 12.3657 k = 0.2308 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.1540 -6.1540 -6.1539 -6.1539 -2.6359 -2.6359 -2.6358 -2.6358 2.2911 2.2911 2.2962 2.2962 3.4424 3.4424 3.4543 3.4543 7.1667 7.1667 7.1827 7.1827 9.4248 9.4248 9.4353 9.4353 10.9993 10.9993 11.0152 11.0152 12.3674 12.3674 k = 0.2212 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.1908 -6.1908 -6.1907 -6.1907 -2.6636 -2.6636 -2.6636 -2.6636 2.2602 2.2602 2.2642 2.2642 3.5885 3.5885 3.5994 3.5994 7.2827 7.2827 7.2986 7.2986 9.4908 9.4908 9.5011 9.5011 10.8991 10.8991 10.9141 10.9141 12.3695 12.3695 k = 0.2115 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.2266 -6.2266 -6.2265 -6.2265 -2.6907 -2.6907 -2.6906 -2.6906 2.2278 2.2278 2.2310 2.2310 3.7397 3.7397 3.7497 3.7497 7.3992 7.3992 7.4149 7.4149 9.5538 9.5538 9.5638 9.5638 10.7957 10.7957 10.8100 10.8100 12.3719 12.3719 k = 0.2019 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.2614 -6.2614 -6.2612 -6.2612 -2.7169 -2.7169 -2.7169 -2.7169 2.1948 2.1948 2.1975 2.1975 3.8949 3.8949 3.9041 3.9041 7.5158 7.5158 7.5314 7.5314 9.6131 9.6131 9.6228 9.6228 10.6896 10.6896 10.7030 10.7030 12.3747 12.3747 k = 0.1923 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.2950 -6.2950 -6.2948 -6.2948 -2.7423 -2.7423 -2.7422 -2.7422 2.1620 2.1620 2.1641 2.1641 4.0533 4.0533 4.0620 4.0620 7.6322 7.6322 7.6476 7.6476 9.6680 9.6680 9.6772 9.6772 10.5813 10.5813 10.5939 10.5939 12.3777 12.3777 k = 0.1827 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.3273 -6.3273 -6.3272 -6.3272 -2.7667 -2.7667 -2.7667 -2.7667 2.1297 2.1297 2.1315 2.1315 4.2145 4.2145 4.2227 4.2227 7.7481 7.7481 7.7632 7.7632 9.7176 9.7176 9.7260 9.7260 10.4718 10.4718 10.4833 10.4833 12.3808 12.3808 k = 0.1731 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.3584 -6.3584 -6.3583 -6.3583 -2.7903 -2.7903 -2.7902 -2.7902 2.0983 2.0983 2.0998 2.0998 4.3781 4.3781 4.3859 4.3859 7.8630 7.8630 7.8778 7.8778 9.7600 9.7600 9.7671 9.7671 10.3632 10.3632 10.3733 10.3733 12.3841 12.3841 k = 0.1635 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.3881 -6.3881 -6.3880 -6.3880 -2.8128 -2.8128 -2.8127 -2.8127 2.0680 2.0680 2.0692 2.0692 4.5437 4.5437 4.5512 4.5512 7.9765 7.9765 7.9909 7.9909 9.7915 9.7915 9.7964 9.7964 10.2596 10.2596 10.2673 10.2673 12.3873 12.3873 k = 0.1538 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.4164 -6.4164 -6.4163 -6.4163 -2.8342 -2.8342 -2.8342 -2.8342 2.0389 2.0389 2.0399 2.0399 4.7111 4.7111 4.7184 4.7184 8.0880 8.0880 8.1020 8.1020 9.8044 9.8044 9.8052 9.8052 10.1698 10.1698 10.1735 10.1735 12.3903 12.3903 k = 0.1442 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.4432 -6.4432 -6.4431 -6.4431 -2.8545 -2.8545 -2.8545 -2.8545 2.0112 2.0112 2.0120 2.0120 4.8801 4.8801 4.8871 4.8871 8.1967 8.1967 8.2101 8.2101 9.7788 9.7788 9.7840 9.7840 10.1067 10.1067 10.1089 10.1089 12.3931 12.3931 k = 0.1346 0.4623-0.0000 ( 1540 PWs) bands (ev): -6.4685 -6.4685 -6.4684 -6.4684 -2.8738 -2.8738 -2.8737 -2.8737 1.9849 1.9849 1.9856 1.9856 5.0503 5.0503 5.0571 5.0571 8.3016 8.3016 8.3143 8.3143 9.7100 9.7100 9.7203 9.7203 10.0775 10.0775 10.0845 10.0845 12.3955 12.3955 k = 0.1250 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.4922 -6.4922 -6.4921 -6.4921 -2.8918 -2.8918 -2.8917 -2.8917 1.9602 1.9602 1.9608 1.9608 5.2216 5.2216 5.2283 5.2283 8.4011 8.4011 8.4129 8.4129 9.6123 9.6123 9.6253 9.6253 10.0753 10.0753 10.0845 10.0845 12.3974 12.3974 k = 0.1154 0.4623-0.0000 ( 1538 PWs) bands (ev): -6.5144 -6.5144 -6.5143 -6.5143 -2.9086 -2.9086 -2.9086 -2.9086 1.9372 1.9372 1.9377 1.9377 5.3937 5.3937 5.4003 5.4003 8.4929 8.4929 8.5035 8.5035 9.5023 9.5023 9.5167 9.5167 10.0845 10.0845 10.0943 10.0943 12.3989 12.3989 k = 0.1058 0.4623-0.0000 ( 1542 PWs) bands (ev): -6.5348 -6.5348 -6.5347 -6.5347 -2.9242 -2.9242 -2.9242 -2.9242 1.9158 1.9158 1.9162 1.9162 5.5665 5.5665 5.5730 5.5730 8.5723 8.5723 8.5812 8.5812 9.3914 9.3914 9.4071 9.4071 10.0965 10.0965 10.1065 10.1065 12.3998 12.3998 k = 0.0962 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.5536 -6.5536 -6.5536 -6.5536 -2.9385 -2.9385 -2.9385 -2.9385 1.8962 1.8962 1.8965 1.8965 5.7397 5.7397 5.7461 5.7461 8.6309 8.6309 8.6376 8.6376 9.2913 9.2913 9.3085 9.3085 10.1079 10.1079 10.1177 10.1177 12.4001 12.4001 k = 0.0865 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.5707 -6.5707 -6.5707 -6.5707 -2.9516 -2.9516 -2.9515 -2.9515 1.8783 1.8783 1.8786 1.8786 5.9131 5.9131 5.9194 5.9194 8.6533 8.6533 8.6578 8.6578 9.2182 9.2182 9.2368 9.2368 10.1170 10.1170 10.1265 10.1265 12.3999 12.3999 k = 0.0769 0.4623-0.0000 ( 1544 PWs) bands (ev): -6.5861 -6.5861 -6.5860 -6.5860 -2.9633 -2.9633 -2.9633 -2.9633 1.8623 1.8623 1.8625 1.8625 6.0865 6.0865 6.0927 6.0927 8.6234 8.6234 8.6266 8.6266 9.1888 9.1888 9.2076 9.2076 10.1233 10.1233 10.1324 10.1324 12.3993 12.3993 k = 0.0673 0.4623-0.0000 ( 1536 PWs) bands (ev): -6.5997 -6.5997 -6.5997 -6.5997 -2.9737 -2.9737 -2.9737 -2.9737 1.8481 1.8481 1.8483 1.8483 6.2593 6.2593 6.2655 6.2655 8.5424 8.5424 8.5457 8.5457 9.2017 9.2017 9.2192 9.2192 10.1265 10.1265 10.1352 10.1352 12.3983 12.3983 k = 0.0577 0.4623-0.0000 ( 1536 PWs) bands (ev): -6.6115 -6.6115 -6.6115 -6.6115 -2.9827 -2.9827 -2.9827 -2.9827 1.8357 1.8357 1.8359 1.8359 6.4314 6.4314 6.4374 6.4374 8.4278 8.4278 8.4317 8.4317 9.2390 9.2390 9.2546 9.2546 10.1269 10.1269 10.1350 10.1350 12.3970 12.3970 k = 0.0481 0.4623-0.0000 ( 1536 PWs) bands (ev): -6.6216 -6.6216 -6.6215 -6.6215 -2.9904 -2.9904 -2.9904 -2.9904 1.8252 1.8252 1.8253 1.8253 6.6020 6.6020 6.6080 6.6080 8.2948 8.2948 8.2993 8.2993 9.2851 9.2851 9.2986 9.2986 10.1248 10.1248 10.1321 10.1321 12.3958 12.3958 k = 0.0385 0.4623-0.0000 ( 1532 PWs) bands (ev): -6.6298 -6.6298 -6.6298 -6.6298 -2.9967 -2.9967 -2.9967 -2.9967 1.8166 1.8166 1.8167 1.8167 6.7703 6.7703 6.7762 6.7762 8.1525 8.1525 8.1573 8.1573 9.3311 9.3311 9.3423 9.3423 10.1211 10.1211 10.1275 10.1275 12.3947 12.4005 k = 0.0288 0.4623-0.0000 ( 1528 PWs) bands (ev): -6.6362 -6.6362 -6.6362 -6.6362 -3.0016 -3.0016 -3.0016 -3.0016 1.8099 1.8099 1.8100 1.8100 6.9346 6.9346 6.9402 6.9402 8.0064 8.0064 8.0113 8.0113 9.3716 9.3716 9.3804 9.3804 10.1166 10.1166 10.1218 10.1218 12.3938 12.3980 k = 0.0192 0.4623-0.0000 ( 1534 PWs) bands (ev): -6.6408 -6.6408 -6.6408 -6.6408 -3.0051 -3.0051 -3.0051 -3.0051 1.8051 1.8051 1.8051 1.8051 7.0904 7.0904 7.0956 7.0956 7.8628 7.8628 7.8675 7.8675 9.4034 9.4034 9.4094 9.4094 10.1125 10.1125 10.1162 10.1162 12.3932 12.3959 k = 0.0096 0.4623-0.0000 ( 1518 PWs) bands (ev): -6.6436 -6.6436 -6.6436 -6.6436 -3.0072 -3.0072 -3.0072 -3.0072 1.8022 1.8022 1.8022 1.8022 7.2247 7.2247 7.2285 7.2285 7.7367 7.7367 7.7404 7.7404 9.4241 9.4241 9.4272 9.4272 10.1101 10.1101 10.1120 10.1120 12.3934 12.3942 k = 0.0000 0.4623-0.0000 ( 1518 PWs) bands (ev): -6.6445 -6.6445 -6.6445 -6.6445 -3.0079 -3.0079 -3.0079 -3.0079 1.8013 1.8013 1.8013 1.8013 7.2899 7.2899 7.2899 7.2899 7.6775 7.6775 7.6775 7.6775 9.4323 9.4323 9.4323 9.4323 10.1098 10.1098 10.1098 10.1098 12.3937 12.3937 k = 0.0000 0.4623-0.0000 ( 1518 PWs) bands (ev): -6.6445 -6.6445 -6.6445 -6.6445 -3.0079 -3.0079 -3.0079 -3.0079 1.8013 1.8013 1.8013 1.8013 7.2899 7.2899 7.2899 7.2899 7.6775 7.6775 7.6775 7.6775 9.4323 9.4323 9.4323 9.4323 10.1098 10.1098 10.1098 10.1098 12.3937 12.3937 k = 0.0000 0.4527-0.0000 ( 1528 PWs) bands (ev): -6.7506 -6.7506 -6.5368 -6.5368 -3.0580 -3.0580 -2.9595 -2.9595 1.7610 1.7610 1.8463 1.8463 7.1957 7.1957 7.3846 7.3846 7.5700 7.5700 7.7856 7.7856 9.3989 9.3989 9.4659 9.4659 10.0762 10.0762 10.1408 10.1408 12.3445 12.3445 k = 0.0000 0.4430-0.0000 ( 1528 PWs) bands (ev): -6.8550 -6.8550 -6.4276 -6.4276 -3.1095 -3.1095 -2.9131 -2.9131 1.7259 1.7259 1.8960 1.8960 7.1024 7.1024 7.4628 7.4628 7.4803 7.4803 7.8942 7.8942 9.3661 9.3661 9.4996 9.4996 10.0403 10.0403 10.1694 10.1694 12.2949 12.2949 k = 0.0000 0.4334-0.0000 ( 1525 PWs) bands (ev): -6.9578 -6.9578 -6.3170 -6.3170 -3.1621 -3.1621 -2.8688 -2.8688 1.6962 1.6962 1.9501 1.9501 7.0100 7.0100 7.3573 7.3573 7.5750 7.5750 8.0034 8.0034 9.3342 9.3342 9.5332 9.5332 10.0021 10.0021 10.1957 10.1957 12.2450 12.2450 k = 0.0000 0.4238-0.0000 ( 1525 PWs) bands (ev): -7.0588 -7.0588 -6.2051 -6.2051 -3.2156 -3.2156 -2.8269 -2.8269 1.6720 1.6720 2.0081 2.0081 6.9187 6.9187 7.2522 7.2522 7.6698 7.6698 8.1130 8.1130 9.3035 9.3035 9.5666 9.5666 9.9617 9.9617 10.2194 10.2194 12.1948 12.1948 k = 0.0000 0.4141-0.0000 ( 1525 PWs) bands (ev): -7.1580 -7.1580 -6.0919 -6.0919 -3.2697 -3.2697 -2.7876 -2.7876 1.6536 1.6536 2.0700 2.0700 6.8287 6.8287 7.1480 7.1480 7.7638 7.7638 8.2229 8.2229 9.2747 9.2747 9.5994 9.5994 9.9191 9.9191 10.2406 10.2406 12.1446 12.1446 k = 0.0000 0.4045-0.0000 ( 1527 PWs) bands (ev): -7.2554 -7.2554 -5.9777 -5.9777 -3.3242 -3.3242 -2.7512 -2.7512 1.6412 1.6412 2.1355 2.1355 6.7400 6.7400 7.0447 7.0447 7.8564 7.8564 8.3330 8.3330 9.2483 9.2483 9.6317 9.6317 9.8744 9.8744 10.2592 10.2592 12.0945 12.0945 k = 0.0000 0.3949-0.0000 ( 1531 PWs) bands (ev): -7.3509 -7.3509 -5.8624 -5.8624 -3.3788 -3.3788 -2.7177 -2.7177 1.6350 1.6350 2.2042 2.2042 6.6528 6.6528 6.9423 6.9423 7.9465 7.9465 8.4430 8.4430 9.2252 9.2252 9.6633 9.6633 9.8280 9.8280 10.2752 10.2752 12.0445 12.0445 k = 0.0000 0.3852-0.0000 ( 1539 PWs) bands (ev): -7.4444 -7.4444 -5.7463 -5.7463 -3.4332 -3.4332 -2.6873 -2.6873 1.6350 1.6350 2.2759 2.2759 6.5670 6.5670 6.8409 6.8409 8.0332 8.0332 8.5528 8.5528 9.2065 9.2065 9.6939 9.6939 9.7800 9.7800 10.2887 10.2887 11.9949 11.9949 k = 0.0000 0.3756-0.0000 ( 1539 PWs) bands (ev): -7.5360 -7.5360 -5.6296 -5.6296 -3.4871 -3.4871 -2.6602 -2.6602 1.6413 1.6413 2.3504 2.3504 6.4828 6.4828 6.7406 6.7406 8.1152 8.1152 8.6619 8.6619 9.1936 9.1936 9.7190 9.7190 9.7354 9.7354 10.2997 10.2997 11.9457 11.9457 k = 0.0000 0.3660-0.0000 ( 1541 PWs) bands (ev): -7.6256 -7.6256 -5.5124 -5.5124 -3.5402 -3.5402 -2.6363 -2.6363 1.6541 1.6541 2.4273 2.4273 6.4003 6.4003 6.6414 6.6414 8.1906 8.1906 8.7697 8.7697 9.1884 9.1884 9.6785 9.6785 9.7548 9.7548 10.3081 10.3081 11.8970 11.8970 k = 0.0000 0.3563-0.0000 ( 1545 PWs) bands (ev): -7.7132 -7.7132 -5.3952 -5.3952 -3.5921 -3.5921 -2.6158 -2.6158 1.6732 1.6732 2.5065 2.5065 6.3195 6.3195 6.5434 6.5434 8.2572 8.2572 8.8752 8.8752 9.1927 9.1927 9.6288 9.6288 9.7826 9.7826 10.3140 10.3140 11.8490 11.8490 k = 0.0000 0.3467-0.0000 ( 1543 PWs) bands (ev): -7.7987 -7.7987 -5.2784 -5.2784 -3.6423 -3.6423 -2.5987 -2.5987 1.6987 1.6987 2.5876 2.5876 6.2404 6.2404 6.4467 6.4467 8.3130 8.3130 8.9765 8.9765 9.2085 9.2085 9.5813 9.5813 9.8097 9.8097 10.3173 10.3173 11.8017 11.8017 k = 0.0000 0.3371-0.0000 ( 1547 PWs) bands (ev): -7.8821 -7.8821 -5.1624 -5.1624 -3.6901 -3.6901 -2.5848 -2.5848 1.7305 1.7305 2.6705 2.6705 6.1630 6.1630 6.3514 6.3514 8.3562 8.3562 9.0692 9.0692 9.2371 9.2371 9.5406 9.5406 9.8358 9.8358 10.3182 10.3182 11.7553 11.7553 k = 0.0000 0.3275-0.0000 ( 1547 PWs) bands (ev): -7.9634 -7.9634 -5.0481 -5.0481 -3.7349 -3.7349 -2.5740 -2.5740 1.7684 1.7684 2.7547 2.7547 6.0875 6.0875 6.2575 6.2575 8.3864 8.3864 9.1436 9.1436 9.2783 9.2783 9.5173 9.5173 9.8608 9.8608 10.3166 10.3166 11.7098 11.7098 k = 0.0000 0.3178-0.0000 ( 1547 PWs) bands (ev): -8.0426 -8.0426 -4.9365 -4.9365 -3.7755 -3.7755 -2.5664 -2.5664 1.8123 1.8123 2.8400 2.8400 6.0138 6.0138 6.1651 6.1651 8.4040 8.4040 9.1812 9.1812 9.3325 9.3325 9.5289 9.5289 9.8848 9.8848 10.3125 10.3125 11.6653 11.6653 k = 0.0000 0.3082-0.0000 ( 1547 PWs) bands (ev): -8.1196 -8.1196 -4.8294 -4.8294 -3.8102 -3.8102 -2.5617 -2.5617 1.8620 1.8620 2.9260 2.9260 5.9420 5.9420 6.0745 6.0745 8.4106 8.4106 9.1726 9.1726 9.4004 9.4004 9.5823 9.5823 9.9077 9.9077 10.3061 10.3061 11.6219 11.6219 k = 0.0000 0.2986-0.0000 ( 1545 PWs) bands (ev): -8.1945 -8.1945 -4.7292 -4.7292 -3.8366 -3.8366 -2.5597 -2.5597 1.9172 1.9172 3.0124 3.0124 5.8721 5.8721 5.9859 5.9859 8.4083 8.4083 9.1327 9.1327 9.4790 9.4790 9.6633 9.6633 9.9295 9.9295 10.2973 10.2973 11.5797 11.5797 k = 0.0000 0.2889-0.0000 ( 1545 PWs) bands (ev): -8.2671 -8.2671 -4.6394 -4.6394 -3.8511 -3.8511 -2.5603 -2.5603 1.9777 1.9777 3.0987 3.0987 5.8040 5.8040 5.8994 5.8994 8.3991 8.3991 9.0771 9.0771 9.5651 9.5651 9.7574 9.7574 9.9500 9.9500 10.2862 10.2862 11.5388 11.5388 k = 0.0000 0.2793-0.0000 ( 1541 PWs) bands (ev): -8.3375 -8.3375 -4.5650 -4.5650 -3.8489 -3.8489 -2.5633 -2.5633 2.0431 2.0431 3.1846 3.1846 5.7378 5.7378 5.8154 5.8154 8.3848 8.3848 9.0133 9.0133 9.6567 9.6567 9.8573 9.8573 9.9695 9.9695 10.2728 10.2728 11.4993 11.4993 k = 0.0000 0.2697-0.0000 ( 1541 PWs) bands (ev): -8.4057 -8.4057 -4.5106 -4.5106 -3.8255 -3.8255 -2.5683 -2.5683 2.1133 2.1133 3.2696 3.2696 5.6734 5.6734 5.7343 5.7343 8.3666 8.3666 8.9442 8.9442 9.7522 9.7522 9.9590 9.9590 9.9885 9.9885 10.2572 10.2572 11.4612 11.4612 k = 0.0000 0.2600-0.0000 ( 1545 PWs) bands (ev): -8.4716 -8.4716 -4.4786 -4.4786 -3.7784 -3.7784 -2.5753 -2.5753 2.1878 2.1878 3.3529 3.3529 5.6104 5.6104 5.6569 5.6569 8.3458 8.3458 8.8714 8.8714 9.8506 9.8506 10.0039 10.0039 10.0638 10.0638 10.2395 10.2395 11.4248 11.4248 k = 0.0000 0.2504-0.0000 ( 1545 PWs) bands (ev): -8.5353 -8.5353 -4.4671 -4.4671 -3.7097 -3.7097 -2.5840 -2.5840 2.2664 2.2664 3.4339 3.4339 5.5487 5.5487 5.5840 5.5840 8.3232 8.3232 8.7959 8.7959 9.9508 9.9508 10.0201 10.0201 10.1663 10.1663 10.2199 10.2199 11.3901 11.3901 k = 0.0000 0.2408-0.0000 ( 1547 PWs) bands (ev): -8.5967 -8.5967 -4.4715 -4.4715 -3.6242 -3.6242 -2.5941 -2.5941 2.3487 2.3487 3.5119 3.5119 5.4877 5.4877 5.5167 5.5167 8.2994 8.2994 8.7181 8.7181 10.0349 10.0349 10.0521 10.0521 10.1982 10.1982 10.2682 10.2682 11.3575 11.3575 k = 0.0000 0.2311-0.0000 ( 1547 PWs) bands (ev): -8.6557 -8.6557 -4.4866 -4.4866 -3.5271 -3.5271 -2.6054 -2.6054 2.4343 2.4343 3.5858 3.5858 5.4279 5.4279 5.4555 5.4555 8.2748 8.2748 8.6384 8.6384 10.0483 10.0483 10.1537 10.1537 10.1753 10.1753 10.3680 10.3680 11.3271 11.3271 k = 0.0000 0.2215-0.0000 ( 1547 PWs) bands (ev): -8.7125 -8.7125 -4.5084 -4.5084 -3.4226 -3.4226 -2.6177 -2.6177 2.5230 2.5230 3.6544 3.6544 5.3711 5.3711 5.3994 5.3994 8.2500 8.2500 8.5571 8.5571 10.0601 10.0601 10.1505 10.1505 10.2558 10.2558 10.4654 10.4654 11.2994 11.2994 k = 0.0000 0.2119-0.0000 ( 1543 PWs) bands (ev): -8.7669 -8.7669 -4.5343 -4.5343 -3.3135 -3.3135 -2.6309 -2.6309 2.6144 2.6144 3.7165 3.7165 5.3196 5.3196 5.3474 5.3474 8.2251 8.2251 8.4743 8.4743 10.0692 10.0692 10.1262 10.1262 10.3571 10.3571 10.5593 10.5593 11.2751 11.2751 k = 0.0000 0.2023-0.0000 ( 1551 PWs) bands (ev): -8.8190 -8.8190 -4.5625 -4.5625 -3.2018 -3.2018 -2.6446 -2.6446 2.7080 2.7080 3.7706 3.7706 5.2746 5.2746 5.2994 5.2994 8.2002 8.2002 8.3903 8.3903 10.0702 10.0702 10.1074 10.1074 10.4573 10.4573 10.6483 10.6483 11.2553 11.2553 k = 0.0000 0.1926-0.0000 ( 1551 PWs) bands (ev): -8.8687 -8.8687 -4.5918 -4.5918 -3.0889 -3.0889 -2.6588 -2.6588 2.8037 2.8037 3.8152 3.8152 5.2352 5.2352 5.2581 5.2581 8.1755 8.1755 8.3055 8.3055 10.0525 10.0525 10.1050 10.1050 10.5561 10.5561 10.7306 10.7306 11.2417 11.2417 k = 0.0000 0.1830-0.0000 ( 1551 PWs) bands (ev): -8.9161 -8.9161 -4.6214 -4.6214 -2.9759 -2.9759 -2.6733 -2.6733 2.9009 2.9009 3.8490 3.8490 5.1960 5.1960 5.2298 5.2298 8.1505 8.1505 8.2208 8.2208 10.0244 10.0244 10.1108 10.1108 10.6531 10.6531 10.8031 10.8031 11.2371 11.2371 k = 0.0000 0.1734-0.0000 ( 1547 PWs) bands (ev): -8.9611 -8.9611 -4.6507 -4.6507 -2.8636 -2.8636 -2.6878 -2.6878 2.9993 2.9993 3.8710 3.8710 5.1558 5.1558 5.2166 5.2166 8.1164 8.1164 8.1452 8.1452 9.9932 9.9932 10.1179 10.1179 10.7476 10.7476 10.8621 10.8621 11.2454 11.2454 k = 0.0000 0.1637-0.0000 ( 1547 PWs) bands (ev): -9.0037 -9.0037 -4.6794 -4.6794 -2.7527 -2.7527 -2.7023 -2.7023 3.0985 3.0985 3.8809 3.8809 5.1165 5.1165 5.2167 5.2167 8.0406 8.0406 8.1116 8.1116 9.9604 9.9604 10.1249 10.1249 10.8377 10.8377 10.9053 10.9053 11.2699 11.2699 k = 0.0000 0.1541-0.0000 ( 1543 PWs) bands (ev): -9.0439 -9.0439 -4.7072 -4.7072 -2.7167 -2.7167 -2.6437 -2.6437 3.1980 3.1980 3.8792 3.8792 5.0791 5.0791 5.2288 5.2288 7.9547 7.9547 8.0890 8.0890 9.9267 9.9267 10.1316 10.1316 10.9075 10.9075 10.9481 10.9481 11.3106 11.3106 k = 0.0000 0.1445-0.0000 ( 1541 PWs) bands (ev): -9.0817 -9.0817 -4.7339 -4.7339 -2.7308 -2.7308 -2.5373 -2.5373 3.2975 3.2975 3.8669 3.8669 5.0437 5.0437 5.2513 5.2513 7.8678 7.8678 8.0683 8.0683 9.8924 9.8924 10.1376 10.1376 10.9262 10.9262 11.0249 11.0249 11.3636 11.3636 k = 0.0000 0.1348-0.0000 ( 1541 PWs) bands (ev): -9.1171 -9.1171 -4.7593 -4.7593 -2.7444 -2.7444 -2.4339 -2.4339 3.3963 3.3963 3.8458 3.8458 5.0105 5.0105 5.2823 5.2823 7.7812 7.7812 8.0488 8.0488 9.8577 9.8577 10.1431 10.1431 10.9274 10.9274 11.1065 11.1065 11.4234 11.4234 k = 0.0000 0.1252-0.0000 ( 1541 PWs) bands (ev): -9.1501 -9.1501 -4.7832 -4.7832 -2.7575 -2.7575 -2.3342 -2.3342 3.4940 3.4940 3.8177 3.8177 4.9796 4.9796 5.3200 5.3200 7.6954 7.6954 8.0306 8.0306 9.8231 9.8231 10.1480 10.1480 10.9221 10.9221 11.1856 11.1856 11.4859 11.4859 k = 0.0000 0.1156-0.0000 ( 1545 PWs) bands (ev): -9.1807 -9.1807 -4.8057 -4.8057 -2.7699 -2.7699 -2.2387 -2.2387 3.5899 3.5899 3.7846 3.7846 4.9507 4.9507 5.3623 5.3623 7.6109 7.6109 8.0136 8.0136 9.7889 9.7889 10.1523 10.1523 10.9138 10.9138 11.2608 11.2608 11.5484 11.5484 k = 0.0000 0.1059-0.0000 ( 1549 PWs) bands (ev): -9.2089 -9.2089 -4.8266 -4.8266 -2.7817 -2.7817 -2.1479 -2.1479 3.6826 3.6826 3.7489 3.7489 4.9243 4.9243 5.4073 5.4073 7.5282 7.5282 7.9979 7.9979 9.7553 9.7553 10.1562 10.1562 10.9041 10.9041 11.3316 11.3316 11.6090 11.6090 k = 0.0000 0.0963-0.0000 ( 1543 PWs) bands (ev): -9.2346 -9.2346 -4.8458 -4.8458 -2.7927 -2.7927 -2.0624 -2.0624 3.7076 3.7076 3.7763 3.7763 4.9001 4.9001 5.4534 5.4534 7.4479 7.4479 7.9834 7.9834 9.7228 9.7228 10.1597 10.1597 10.8940 10.8940 11.3978 11.3978 11.6668 11.6668 k = 0.0000 0.0867-0.0000 ( 1537 PWs) bands (ev): -9.2579 -9.2579 -4.8633 -4.8633 -2.8028 -2.8028 -1.9827 -1.9827 3.6699 3.6699 3.8623 3.8623 4.8782 4.8782 5.4992 5.4992 7.3709 7.3709 7.9702 7.9702 9.6917 9.6917 10.1628 10.1628 10.8841 10.8841 11.4587 11.4587 11.7207 11.7207 k = 0.0000 0.0770-0.0000 ( 1541 PWs) bands (ev): -9.2787 -9.2787 -4.8791 -4.8791 -2.8120 -2.8120 -1.9095 -1.9095 3.6323 3.6323 3.9442 3.9442 4.8586 4.8586 5.5433 5.5433 7.2977 7.2977 7.9583 7.9583 9.6624 9.6624 10.1654 10.1654 10.8746 10.8746 11.5143 11.5143 11.7703 11.7703 k = 0.0000 0.0674-0.0000 ( 1545 PWs) bands (ev): -9.2971 -9.2971 -4.8931 -4.8931 -2.8203 -2.8203 -1.8432 -1.8432 3.5965 3.5965 4.0205 4.0205 4.8412 4.8412 5.5847 5.5847 7.2293 7.2293 7.9478 7.9478 9.6353 9.6353 10.1676 10.1676 10.8660 10.8660 11.5640 11.5640 11.8149 11.8149 k = 0.0000 0.0578-0.0000 ( 1541 PWs) bands (ev): -9.3131 -9.3131 -4.9053 -4.9053 -2.8275 -2.8275 -1.7844 -1.7844 3.5636 3.5636 4.0901 4.0901 4.8262 4.8262 5.6225 5.6225 7.1669 7.1669 7.9387 7.9387 9.6109 9.6109 10.1695 10.1695 10.8583 10.8583 11.6078 11.6078 11.8543 11.8543 k = 0.0000 0.0482-0.0000 ( 1541 PWs) bands (ev): -9.3266 -9.3266 -4.9156 -4.9156 -2.8337 -2.8337 -1.7336 -1.7336 3.5344 3.5344 4.1518 4.1518 4.8135 4.8135 5.6558 5.6558 7.1113 7.1113 7.9309 7.9309 9.5894 9.5894 10.1711 10.1711 10.8516 10.8516 11.6453 11.6453 11.8882 11.8882 k = 0.0000 0.0385-0.0000 ( 1541 PWs) bands (ev): -9.3376 -9.3376 -4.9241 -4.9241 -2.8389 -2.8389 -1.6914 -1.6914 3.5095 3.5095 4.2044 4.2044 4.8031 4.8031 5.6841 5.6841 7.0638 7.0638 7.9245 7.9245 9.5713 9.5713 10.1723 10.1723 10.8461 10.8461 11.6763 11.6763 11.9163 11.9163 k = 0.0000 0.0289-0.0000 ( 1541 PWs) bands (ev): -9.3462 -9.3462 -4.9307 -4.9307 -2.8429 -2.8429 -1.6581 -1.6581 3.4896 3.4896 4.2467 4.2467 4.7951 4.7951 5.7066 5.7066 7.0254 7.0254 7.9195 7.9195 9.5568 9.5568 10.1733 10.1733 10.8417 10.8417 11.7006 11.7006 11.9384 11.9384 k = 0.0000 0.0193-0.0000 ( 1545 PWs) bands (ev): -9.3524 -9.3524 -4.9355 -4.9355 -2.8457 -2.8457 -1.6340 -1.6340 3.4750 3.4750 4.2778 4.2778 4.7893 4.7893 5.7230 5.7230 6.9971 6.9971 7.9159 7.9159 9.5463 9.5463 10.1739 10.1739 10.8385 10.8385 11.7180 11.7180 11.9543 11.9543 k = 0.0000 0.0096-0.0000 ( 1551 PWs) bands (ev): -9.3561 -9.3561 -4.9383 -4.9383 -2.8475 -2.8475 -1.6195 -1.6195 3.4661 3.4661 4.2968 4.2968 4.7858 4.7858 5.7330 5.7330 6.9798 6.9798 7.9138 7.9138 9.5398 9.5398 10.1743 10.1743 10.8366 10.8366 11.7285 11.7285 11.9638 11.9638 k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -9.3573 -9.3573 -4.9393 -4.9393 -2.8481 -2.8481 -1.6146 -1.6146 3.4631 3.4631 4.3032 4.3032 4.7847 4.7847 5.7364 5.7364 6.9739 6.9739 7.9130 7.9130 9.5375 9.5375 10.1744 10.1744 10.8360 10.8360 11.7319 11.7319 11.9670 11.9670 k = 0.0000 0.0000 0.0000 ( 1559 PWs) bands (ev): -9.3573 -9.3573 -4.9393 -4.9393 -2.8481 -2.8481 -1.6146 -1.6146 3.4631 3.4631 4.3032 4.3032 4.7847 4.7847 5.7364 5.7364 6.9739 6.9739 7.9130 7.9130 9.5375 9.5375 10.1744 10.1744 10.8360 10.8360 11.7319 11.7319 11.9670 11.9670 k = 0.0000 0.0000 0.0095 ( 1547 PWs) bands (ev): -9.3562 -9.3562 -4.9472 -4.9472 -2.8413 -2.8413 -1.6125 -1.6125 3.4641 3.4641 4.2972 4.2972 4.7856 4.7856 5.7463 5.7463 6.9697 6.9697 7.9095 7.9095 9.5413 9.5413 10.1766 10.1766 10.8259 10.8259 11.7328 11.7328 11.9674 11.9674 k = 0.0000 0.0000 0.0189 ( 1543 PWs) bands (ev): -9.3527 -9.3527 -4.9708 -4.9708 -2.8214 -2.8214 -1.6063 -1.6063 3.4672 3.4672 4.2795 4.2795 4.7886 4.7886 5.7753 5.7753 6.9569 6.9569 7.8989 7.8989 9.5522 9.5522 10.1831 10.1831 10.7959 10.7959 11.7351 11.7351 11.9686 11.9686 k = 0.0000 0.0000 0.0284 ( 1539 PWs) bands (ev): -9.3470 -9.3470 -5.0089 -5.0089 -2.7897 -2.7897 -1.5959 -1.5959 3.4722 3.4722 4.2517 4.2517 4.7935 4.7935 5.8221 5.8221 6.9358 6.9358 7.8815 7.8815 9.5700 9.5700 10.1936 10.1936 10.7464 10.7464 11.7388 11.7388 11.9706 11.9706 k = 0.0000 0.0000 0.0379 ( 1533 PWs) bands (ev): -9.3390 -9.3390 -5.0599 -5.0599 -2.7478 -2.7478 -1.5811 -1.5811 3.4793 3.4793 4.2160 4.2160 4.8004 4.8004 5.8843 5.8843 6.9070 6.9070 7.8574 7.8574 9.5942 9.5942 10.2080 10.2080 10.6785 10.6785 11.7440 11.7440 11.9734 11.9734 k = 0.0000 0.0000 0.0474 ( 1533 PWs) bands (ev): -9.3288 -9.3288 -5.1222 -5.1222 -2.6979 -2.6979 -1.5618 -1.5618 3.4883 3.4883 4.1749 4.1749 4.8092 4.8092 5.9599 5.9599 6.8710 6.8710 7.8272 7.8272 9.6242 9.6242 10.2257 10.2257 10.5934 10.5934 11.7507 11.7507 11.9769 11.9769 k = 0.0000 0.0000 0.0568 ( 1535 PWs) bands (ev): -9.3162 -9.3162 -5.1938 -5.1938 -2.6422 -2.6422 -1.5378 -1.5378 3.4994 3.4994 4.1305 4.1305 4.8199 4.8199 6.0467 6.0467 6.8283 6.8283 7.7913 7.7913 9.6595 9.6595 10.2462 10.2462 10.4926 10.4926 11.7587 11.7587 11.9812 11.9812 k = 0.0000 0.0000 0.0663 ( 1539 PWs) bands (ev): -9.3015 -9.3015 -5.2731 -5.2731 -2.5826 -2.5826 -1.5089 -1.5089 3.5124 3.5124 4.0849 4.0849 4.8326 4.8326 6.1428 6.1428 6.7797 6.7797 7.7502 7.7502 9.6992 9.6992 10.2686 10.2686 10.3780 10.3780 11.7681 11.7681 11.9863 11.9863 k = 0.0000 0.0000 0.0758 ( 1539 PWs) bands (ev): -9.2844 -9.2844 -5.3586 -5.3586 -2.5213 -2.5213 -1.4750 -1.4750 3.5274 3.5274 4.0398 4.0398 4.8472 4.8472 6.2468 6.2468 6.7260 6.7260 7.7043 7.7043 9.7426 9.7426 10.2455 10.2455 10.2982 10.2982 11.7788 11.7788 11.9922 11.9922 k = 0.0000 0.0000 0.0853 ( 1539 PWs) bands (ev): -9.2652 -9.2652 -5.4489 -5.4489 -2.4598 -2.4598 -1.4360 -1.4360 3.5443 3.5443 3.9966 3.9966 4.8636 4.8636 6.3574 6.3574 6.6678 6.6678 7.6543 7.6543 9.7889 9.7889 10.1081 10.1081 10.3225 10.3225 11.7907 11.7908 11.9987 11.9987 k = 0.0000 0.0000 0.0947 ( 1537 PWs) bands (ev): -9.2437 -9.2437 -5.5429 -5.5429 -2.3996 -2.3996 -1.3921 -1.3921 3.5631 3.5631 3.9567 3.9567 4.8820 4.8820 6.4731 6.4731 6.6062 6.6062 7.6006 7.6006 9.8370 9.8370 9.9591 9.9591 10.3499 10.3499 11.8039 11.8039 12.0061 12.0061 k = 0.0000 0.0000 0.1042 ( 1539 PWs) bands (ev): -9.2201 -9.2201 -5.6396 -5.6396 -2.3416 -2.3416 -1.3436 -1.3436 3.5839 3.5839 3.9211 3.9211 4.9023 4.9023 6.5367 6.5367 6.5985 6.5985 7.5437 7.5437 9.7982 9.7982 9.8896 9.8896 10.3781 10.3781 11.8181 11.8181 12.0141 12.0141 k = 0.0000 0.0000 0.1137 ( 1543 PWs) bands (ev): -9.1943 -9.1943 -5.7383 -5.7383 -2.2866 -2.2866 -1.2908 -1.2908 3.6065 3.6065 3.8908 3.8908 4.9244 4.9244 6.4704 6.4704 6.7220 6.7220 7.4841 7.4841 9.6327 9.6327 9.9399 9.9399 10.4065 10.4065 11.8333 11.8333 12.0228 12.0228 k = 0.0000 0.0000 0.1232 ( 1539 PWs) bands (ev): -9.1664 -9.1664 -5.8382 -5.8382 -2.2350 -2.2350 -1.2345 -1.2345 3.6308 3.6308 3.8667 3.8667 4.9483 4.9483 6.4003 6.4003 6.8511 6.8511 7.4222 7.4222 9.4599 9.4599 9.9916 9.9916 10.4348 10.4348 11.8493 11.8493 12.0321 12.0321 k = 0.0000 0.0000 0.1326 ( 1539 PWs) bands (ev): -9.1364 -9.1364 -5.9389 -5.9389 -2.1869 -2.1869 -1.1755 -1.1755 3.6570 3.6570 3.8497 3.8497 4.9740 4.9740 6.3282 6.3282 6.9836 6.9836 7.3584 7.3584 9.2811 9.2811 10.0433 10.0433 10.4627 10.4627 11.8659 11.8659 12.0420 12.0420 k = 0.0000 0.0000 0.1421 ( 1543 PWs) bands (ev): -9.1043 -9.1043 -6.0399 -6.0399 -2.1423 -2.1423 -1.1149 -1.1149 3.6848 3.6848 3.8404 3.8404 5.0015 5.0015 6.2548 6.2548 7.1188 7.1188 7.2933 7.2933 9.0975 9.0975 10.0944 10.0944 10.4899 10.4899 11.8831 11.8831 12.0524 12.0524 k = 0.0000 0.0000 0.1516 ( 1543 PWs) bands (ev): -9.0703 -9.0703 -6.1407 -6.1407 -2.1010 -2.1010 -1.0537 -1.0537 3.7143 3.7143 3.8395 3.8395 5.0307 5.0307 6.1804 6.1804 7.2228 7.2228 7.2610 7.2610 8.9099 8.9099 10.1446 10.1446 10.5161 10.5161 11.9006 11.9006 12.0632 12.0632 k = 0.0000 0.0000 0.1611 ( 1541 PWs) bands (ev): -9.0344 -9.0344 -6.2409 -6.2409 -2.0628 -2.0628 -0.9929 -0.9929 3.7453 3.7453 3.8477 3.8477 5.0616 5.0616 6.1056 6.1056 7.1581 7.1581 7.3988 7.3988 8.7190 8.7190 10.1935 10.1935 10.5413 10.5413 11.9182 11.9182 12.0744 12.0744 k = 0.0000 0.0000 0.1705 ( 1537 PWs) bands (ev): -8.9966 -8.9966 -6.3402 -6.3402 -2.0273 -2.0273 -0.9335 -0.9335 3.7779 3.7779 3.8654 3.8654 5.0941 5.0941 6.0306 6.0306 7.0902 7.0902 7.5412 7.5412 8.5256 8.5256 10.2407 10.2407 10.5653 10.5653 11.9354 11.9354 12.0855 12.0855 k = 0.0000 0.0000 0.1800 ( 1549 PWs) bands (ev): -8.9570 -8.9570 -6.4384 -6.4384 -1.9944 -1.9944 -0.8763 -0.8763 3.8120 3.8120 3.8929 3.8929 5.1281 5.1281 5.9557 5.9557 7.0219 7.0219 7.6854 7.6854 8.3302 8.3302 10.2859 10.2859 10.5879 10.5879 11.9512 11.9512 12.0950 12.0950 k = 0.0000 0.0000 0.1895 ( 1549 PWs) bands (ev): -8.9158 -8.9158 -6.5351 -6.5351 -1.9638 -1.9638 -0.8222 -0.8222 3.8476 3.8476 3.9305 3.9305 5.1636 5.1636 5.8813 5.8813 6.9536 6.9536 7.8306 7.8306 8.1341 8.1341 10.3290 10.3290 10.6091 10.6091 11.9606 11.9606 12.0702 12.0702 k = 0.0000 0.0000 0.1990 ( 1551 PWs) bands (ev): -8.8731 -8.8731 -6.6299 -6.6299 -1.9353 -1.9353 -0.7716 -0.7716 3.8846 3.8846 3.9785 3.9785 5.2004 5.2004 5.8077 5.8077 6.8855 6.8855 7.9247 7.9247 7.9897 7.9897 10.3696 10.3696 10.6290 10.6290 11.9188 11.9188 12.0137 12.0137 k = 0.0000 0.0000 0.2084 ( 1551 PWs) bands (ev): -8.8291 -8.8291 -6.7227 -6.7227 -1.9089 -1.9089 -0.7251 -0.7251 3.9227 3.9227 4.0369 4.0369 5.2385 5.2385 5.7353 5.7353 6.8179 6.8179 7.7347 7.7347 8.1302 8.1302 10.4078 10.4078 10.6473 10.6473 11.8059 11.8059 12.0179 12.0179 k = 0.0000 0.0000 0.2179 ( 1549 PWs) bands (ev): -8.7840 -8.7840 -6.8130 -6.8130 -1.8843 -1.8843 -0.6830 -0.6830 3.9616 3.9616 4.1060 4.1060 5.2776 5.2776 5.6645 5.6645 6.7512 6.7512 7.5370 7.5370 8.2794 8.2794 10.4432 10.4432 10.6641 10.6641 11.6792 11.6792 12.0310 12.0310 k = 0.0000 0.0000 0.2274 ( 1549 PWs) bands (ev): -8.7381 -8.7381 -6.9005 -6.9005 -1.8616 -1.8616 -0.6453 -0.6453 4.0009 4.0009 4.1856 4.1856 5.3176 5.3176 5.5955 5.5955 6.6856 6.6856 7.3395 7.3395 8.4295 8.4295 10.4757 10.4757 10.6795 10.6795 11.5475 11.5475 12.0451 12.0451 k = 0.0000 0.0000 0.2369 ( 1541 PWs) bands (ev): -8.6917 -8.6917 -6.9847 -6.9847 -1.8409 -1.8409 -0.6121 -0.6121 4.0405 4.0405 4.2757 4.2757 5.3583 5.3583 5.5290 5.5290 6.6215 6.6215 7.1430 7.1430 8.5802 8.5802 10.5053 10.5053 10.6933 10.6933 11.4125 11.4125 12.0587 12.0587 k = 0.0000 0.0000 0.2463 ( 1540 PWs) bands (ev): -8.6454 -8.6454 -7.0650 -7.0650 -1.8220 -1.8220 -0.5834 -0.5834 4.0797 4.0797 4.3757 4.3757 5.3991 5.3991 5.4654 5.4654 6.5593 6.5593 6.9477 6.9477 8.7309 8.7309 10.5319 10.5319 10.7056 10.7056 11.2752 11.2752 12.0714 12.0714 k = 0.0000 0.0000 0.2558 ( 1544 PWs) bands (ev): -8.5997 -8.5997 -7.1409 -7.1409 -1.8051 -1.8051 -0.5589 -0.5589 4.1181 4.1181 4.4852 4.4852 5.4047 5.4047 5.4403 5.4403 6.4997 6.4997 6.7543 6.7543 8.8810 8.8810 10.5554 10.5554 10.7165 10.7165 11.1363 11.1363 12.0830 12.0830 k = 0.0000 0.0000 0.2653 ( 1534 PWs) bands (ev): -8.5554 -8.5554 -7.2113 -7.2113 -1.7902 -1.7902 -0.5384 -0.5384 4.1549 4.1549 4.6040 4.6040 5.3491 5.3491 5.4800 5.4800 6.4432 6.4432 6.5633 6.5633 9.0301 9.0301 10.5758 10.5758 10.7261 10.7261 10.9969 10.9969 12.0933 12.0933 k = 0.0000 0.0000 0.2748 ( 1534 PWs) bands (ev): -8.5137 -8.5137 -7.2753 -7.2753 -1.7774 -1.7774 -0.5217 -0.5217 4.1893 4.1893 4.7313 4.7313 5.2985 5.2985 5.5182 5.5182 6.3744 6.3744 6.3915 6.3915 9.1768 9.1768 10.5931 10.5931 10.7340 10.7340 10.8581 10.8581 12.1022 12.1022 k = 0.0000 0.0000 0.2842 ( 1534 PWs) bands (ev): -8.4758 -8.4758 -7.3315 -7.3315 -1.7668 -1.7668 -0.5084 -0.5084 4.2203 4.2203 4.8666 4.8666 5.2542 5.2542 5.5536 5.5536 6.1900 6.1900 6.3440 6.3440 9.3193 9.3193 10.6072 10.6072 10.7211 10.7211 10.7412 10.7412 12.1096 12.1096 k = 0.0000 0.0000 0.2937 ( 1538 PWs) bands (ev): -8.4434 -8.4434 -7.3781 -7.3781 -1.7585 -1.7585 -0.4984 -0.4984 4.2464 4.2464 5.0090 5.0090 5.2177 5.2177 5.5844 5.5844 6.0090 6.0090 6.3040 6.3040 9.4541 9.4541 10.5911 10.5911 10.6186 10.6186 10.7456 10.7456 12.1154 12.1154 k = 0.0000 0.0000 0.3032 ( 1538 PWs) bands (ev): -8.4183 -8.4183 -7.4134 -7.4134 -1.7525 -1.7525 -0.4915 -0.4915 4.2665 4.2665 5.1567 5.1567 5.1911 5.1911 5.6086 5.6086 5.8333 5.8333 6.2730 6.2730 9.5744 9.5744 10.4745 10.4745 10.6261 10.6261 10.7491 10.7491 12.1196 12.1196 k = 0.0000 0.0000 0.3127 ( 1538 PWs) bands (ev): -8.4023 -8.4023 -7.4355 -7.4355 -1.7489 -1.7489 -0.4874 -0.4874 4.2792 4.2792 5.1725 5.1725 5.3095 5.3095 5.6210 5.6210 5.6690 5.6690 6.2532 6.2532 9.6652 9.6652 10.3858 10.3858 10.6308 10.6308 10.7513 10.7513 12.1221 12.1221 k = 0.0000 0.0000 0.3221 ( 1538 PWs) bands (ev): -8.3968 -8.3968 -7.4430 -7.4430 -1.7477 -1.7477 -0.4860 -0.4860 4.2835 4.2835 5.1668 5.1668 5.4211 5.4211 5.5447 5.5447 5.6337 5.6337 6.2463 6.2463 9.7009 9.7009 10.3507 10.3507 10.6324 10.6324 10.7520 10.7520 12.1230 12.1230 k = 0.0000 0.0000 0.3221 ( 1538 PWs) bands (ev): -8.3968 -8.3968 -7.4430 -7.4430 -1.7477 -1.7477 -0.4860 -0.4860 4.2835 4.2835 5.1668 5.1668 5.4211 5.4211 5.5447 5.5447 5.6337 5.6337 6.2463 6.2463 9.7009 9.7009 10.3507 10.3507 10.6324 10.6324 10.7520 10.7520 12.1230 12.1230 k = 0.0096-0.0000 0.3221 ( 1538 PWs) bands (ev): -8.3955 -8.3955 -7.4420 -7.4420 -1.7488 -1.7488 -0.4883 -0.4883 4.2847 4.2847 5.1678 5.1678 5.4166 5.4166 5.5226 5.5226 5.6554 5.6554 6.2503 6.2503 9.7000 9.7000 10.3373 10.3373 10.6315 10.6315 10.7618 10.7618 12.1195 12.1195 k = 0.0192-0.0000 0.3221 ( 1538 PWs) bands (ev): -8.3918 -8.3918 -7.4387 -7.4387 -1.7521 -1.7521 -0.4953 -0.4953 4.2883 4.2883 5.1709 5.1709 5.4035 5.4035 5.4805 5.4805 5.6964 5.6964 6.2619 6.2619 9.6973 9.6973 10.3009 10.3009 10.6284 10.6284 10.7881 10.7881 12.1093 12.1093 k = 0.0288-0.0000 0.3221 ( 1534 PWs) bands (ev): -8.3856 -8.3856 -7.4333 -7.4333 -1.7577 -1.7577 -0.5069 -0.5069 4.2942 4.2942 5.1762 5.1762 5.3821 5.3821 5.4343 5.4343 5.7412 5.7412 6.2805 6.2805 9.6928 9.6928 10.2479 10.2479 10.6230 10.6230 10.8247 10.8247 12.0924 12.0924 k = 0.0385-0.0000 0.3221 ( 1536 PWs) bands (ev): -8.3769 -8.3769 -7.4258 -7.4258 -1.7656 -1.7656 -0.5232 -0.5232 4.3025 4.3025 5.1835 5.1835 5.3524 5.3524 5.3884 5.3884 5.7868 5.7868 6.3052 6.3052 9.6864 9.6864 10.1839 10.1839 10.6149 10.6149 10.8662 10.8662 12.0688 12.0688 k = 0.0481-0.0000 0.3221 ( 1542 PWs) bands (ev): -8.3657 -8.3657 -7.4161 -7.4161 -1.7757 -1.7757 -0.5441 -0.5441 4.3131 4.3131 5.1929 5.1929 5.3144 5.3144 5.3448 5.3448 5.8322 5.8322 6.3349 6.3349 9.6782 9.6782 10.1124 10.1124 10.6043 10.6043 10.9094 10.9094 12.0388 12.0388 k = 0.0577-0.0000 0.3221 ( 1542 PWs) bands (ev): -8.3521 -8.3521 -7.4042 -7.4042 -1.7882 -1.7882 -0.5698 -0.5698 4.3262 4.3262 5.2043 5.2043 5.2701 5.2701 5.3034 5.3034 5.8772 5.8772 6.3689 6.3689 9.6682 9.6682 10.0354 10.0354 10.5913 10.5913 10.9525 10.9525 12.0026 12.0026 k = 0.0673-0.0000 0.3221 ( 1546 PWs) bands (ev): -8.3359 -8.3359 -7.3902 -7.3902 -1.8030 -1.8030 -0.6002 -0.6002 4.3415 4.3415 5.2171 5.2171 5.2233 5.2233 5.2621 5.2621 5.9218 5.9218 6.4062 6.4062 9.6561 9.6561 9.9541 9.9541 10.5758 10.5758 10.9943 10.9943 11.9605 11.9605 k = 0.0769-0.0000 0.3221 ( 1546 PWs) bands (ev): -8.3173 -8.3173 -7.3741 -7.3741 -1.8201 -1.8201 -0.6354 -0.6354 4.3592 4.3592 5.1756 5.1756 5.2157 5.2157 5.2365 5.2365 5.9660 5.9660 6.4463 6.4463 9.6422 9.6422 9.8694 9.8694 10.5579 10.5579 11.0343 11.0343 11.9128 11.9128 k = 0.0865-0.0000 0.3221 ( 1546 PWs) bands (ev): -8.2962 -8.2962 -7.3558 -7.3558 -1.8397 -1.8397 -0.6754 -0.6754 4.3793 4.3793 5.1288 5.1288 5.1735 5.1735 5.2525 5.2525 6.0098 6.0098 6.4885 6.4885 9.6265 9.6265 9.7819 9.7819 10.5375 10.5375 11.0721 11.0721 11.8598 11.8598 k = 0.0962-0.0000 0.3221 ( 1546 PWs) bands (ev): -8.2727 -8.2727 -7.3354 -7.3354 -1.8617 -1.8617 -0.7201 -0.7201 4.4017 4.4017 5.0832 5.0832 5.1290 5.1290 5.2721 5.2721 6.0534 6.0534 6.5325 6.5325 9.6087 9.6087 9.6921 9.6921 10.5146 10.5146 11.1074 11.1074 11.8019 11.8019 k = 0.1058-0.0000 0.3221 ( 1546 PWs) bands (ev): -8.2467 -8.2467 -7.3129 -7.3129 -1.8862 -1.8862 -0.7696 -0.7696 4.4264 4.4264 5.0392 5.0392 5.0840 5.0840 5.2939 5.2939 6.0967 6.0967 6.5779 6.5779 9.5881 9.5881 9.6010 9.6010 10.4893 10.4893 11.1400 11.1400 11.7395 11.7395 k = 0.1154-0.0000 0.3221 ( 1548 PWs) bands (ev): -8.2182 -8.2182 -7.2882 -7.2882 -1.9132 -1.9132 -0.8238 -0.8238 4.4535 4.4535 4.9971 4.9971 5.0391 5.0391 5.3178 5.3178 6.1400 6.1400 6.6245 6.6245 9.5061 9.5061 9.5676 9.5676 10.4615 10.4615 11.1697 11.1697 11.6729 11.6729 k = 0.1250-0.0000 0.3221 ( 1544 PWs) bands (ev): -8.1873 -8.1873 -7.2615 -7.2615 -1.9427 -1.9427 -0.8828 -0.8828 4.4828 4.4828 4.9573 4.9573 4.9949 4.9949 5.3438 5.3438 6.1833 6.1833 6.6722 6.6722 9.4110 9.4110 9.5438 9.5438 10.4312 10.4312 11.1966 11.1966 11.6027 11.6027 k = 0.1346-0.0000 0.3221 ( 1552 PWs) bands (ev): -8.1540 -8.1540 -7.2326 -7.2326 -1.9749 -1.9749 -0.9465 -0.9465 4.5144 4.5144 4.9198 4.9198 4.9519 4.9519 5.3718 5.3718 6.2266 6.2266 6.7207 6.7207 9.3145 9.3145 9.5179 9.5179 10.3984 10.3984 11.2200 11.2200 11.5292 11.5292 k = 0.1442-0.0000 0.3221 ( 1552 PWs) bands (ev): -8.1182 -8.1182 -7.2017 -7.2017 -2.0097 -2.0097 -1.0148 -1.0148 4.5482 4.5482 4.8844 4.8844 4.9112 4.9112 5.4019 5.4019 6.2703 6.2703 6.7700 6.7700 9.2170 9.2170 9.4899 9.4899 10.3631 10.3631 11.2397 11.2397 11.4534 11.4534 k = 0.1538-0.0000 0.3221 ( 1552 PWs) bands (ev): -8.0800 -8.0800 -7.1688 -7.1688 -2.0471 -2.0471 -1.0876 -1.0876 4.5842 4.5842 4.8502 4.8502 4.8741 4.8741 5.4339 5.4339 6.3142 6.3142 6.8200 6.8200 9.1185 9.1185 9.4598 9.4598 10.3254 10.3254 11.2538 11.2538 11.3771 11.3771 k = 0.1635-0.0000 0.3221 ( 1548 PWs) bands (ev): -8.0393 -8.0393 -7.1337 -7.1337 -2.0873 -2.0873 -1.1648 -1.1648 4.6220 4.6220 4.8160 4.8160 4.8425 4.8425 5.4680 5.4680 6.3586 6.3586 6.8706 6.8706 9.0194 9.0194 9.4276 9.4276 10.2853 10.2853 11.2503 11.2503 11.3120 11.3120 k = 0.1731-0.0000 0.3221 ( 1548 PWs) bands (ev): -7.9963 -7.9963 -7.0966 -7.0966 -2.1301 -2.1301 -1.2463 -1.2463 4.6611 4.6611 4.7824 4.7824 4.8170 4.8170 5.5040 5.5040 6.4034 6.4034 6.9217 6.9217 8.9196 8.9196 9.3931 9.3931 10.2426 10.2426 11.1923 11.1923 11.2829 11.2829 k = 0.1827-0.0000 0.3221 ( 1546 PWs) bands (ev): -7.9508 -7.9508 -7.0575 -7.0575 -2.1757 -2.1757 -1.3319 -1.3319 4.6972 4.6972 4.7541 4.7541 4.7973 4.7973 5.5421 5.5421 6.4488 6.4488 6.9733 6.9733 8.8194 8.8194 9.3566 9.3566 10.1975 10.1975 11.1107 11.1107 11.2004 11.2004 k = 0.1923-0.0000 0.3221 ( 1546 PWs) bands (ev): -7.9030 -7.9030 -7.0164 -7.0164 -2.2239 -2.2239 -1.4215 -1.4215 4.7015 4.7015 4.7565 4.7565 4.7871 4.7871 5.5820 5.5820 6.4949 6.4949 7.0252 7.0252 8.7189 8.7189 9.3179 9.3179 10.1499 10.1499 11.0241 11.0241 11.1050 11.1050 k = 0.2019-0.0000 0.3221 ( 1546 PWs) bands (ev): -7.8528 -7.8528 -6.9733 -6.9733 -2.2748 -2.2748 -1.5148 -1.5148 4.6770 4.6770 4.7610 4.7610 4.8125 4.8125 5.6238 5.6238 6.5416 6.5416 7.0774 7.0774 8.6182 8.6182 9.2771 9.2771 10.1000 10.1000 10.9347 10.9347 11.0071 11.0071 k = 0.2115-0.0000 0.3221 ( 1546 PWs) bands (ev): -7.8002 -7.8002 -6.9282 -6.9282 -2.3285 -2.3285 -1.6118 -1.6118 4.6508 4.6508 4.7550 4.7550 4.8588 4.8588 5.6675 5.6675 6.5891 6.5891 7.1296 7.1296 8.5176 8.5176 9.2343 9.2343 10.0477 10.0477 10.8425 10.8425 10.9083 10.9083 k = 0.2212-0.0000 0.3221 ( 1542 PWs) bands (ev): -7.7452 -7.7452 -6.8812 -6.8812 -2.3847 -2.3847 -1.7121 -1.7121 4.6267 4.6267 4.7515 4.7515 4.9098 4.9098 5.7131 5.7131 6.6374 6.6374 7.1819 7.1819 8.4171 8.4171 9.1896 9.1896 9.9931 9.9931 10.7467 10.7467 10.8102 10.8102 k = 0.2308-0.0000 0.3221 ( 1546 PWs) bands (ev): -7.6880 -7.6880 -6.8323 -6.8323 -2.4436 -2.4436 -1.8156 -1.8156 4.6052 4.6052 4.7513 4.7513 4.9637 4.9637 5.7605 5.7605 6.6864 6.6864 7.2340 7.2340 8.3169 8.3169 9.1432 9.1432 9.9362 9.9362 10.6463 10.6463 10.7142 10.7142 k = 0.2404-0.0000 0.3221 ( 1554 PWs) bands (ev): -7.6284 -7.6284 -6.7814 -6.7814 -2.5050 -2.5050 -1.9220 -1.9220 4.5866 4.5866 4.7548 4.7548 5.0202 5.0202 5.8098 5.8098 6.7364 6.7364 7.2855 7.2855 8.2171 8.2171 9.0953 9.0953 9.8769 9.8769 10.5413 10.5413 10.6211 10.6211 k = 0.2500-0.0000 0.3221 ( 1558 PWs) bands (ev): -7.5664 -7.5664 -6.7287 -6.7287 -2.5689 -2.5689 -2.0311 -2.0311 4.5713 4.5713 4.7619 4.7619 5.0790 5.0790 5.8608 5.8608 6.7871 6.7871 7.3363 7.3363 8.1179 8.1179 9.0463 9.0463 9.8154 9.8154 10.4323 10.4323 10.5307 10.5307 k = 0.2596-0.0000 0.3221 ( 1562 PWs) bands (ev): -7.5022 -7.5022 -6.6741 -6.6741 -2.6352 -2.6352 -2.1426 -2.1426 4.5591 4.5591 4.7725 4.7725 5.1401 5.1401 5.9137 5.9137 6.8387 6.8387 7.3857 7.3857 8.0194 8.0194 8.9964 8.9964 9.7520 9.7520 10.3203 10.3203 10.4426 10.4426 k = 0.2692-0.0000 0.3221 ( 1566 PWs) bands (ev): -7.4358 -7.4358 -6.6177 -6.6177 -2.7039 -2.7039 -2.2564 -2.2564 4.5503 4.5503 4.7865 4.7865 5.2034 5.2034 5.9682 5.9682 6.8912 6.8912 7.4334 7.4334 7.9218 7.9218 8.9465 8.9465 9.6865 9.6865 10.2060 10.2060 10.3562 10.3562 k = 0.2788-0.0000 0.3221 ( 1562 PWs) bands (ev): -7.3670 -7.3670 -6.5595 -6.5595 -2.7747 -2.7747 -2.3721 -2.3721 4.5448 4.5448 4.8037 4.8037 5.2689 5.2689 6.0245 6.0245 6.9446 6.9446 7.4786 7.4786 7.8254 7.8254 8.8971 8.8971 9.6192 9.6192 10.0900 10.0900 10.2717 10.2717 k = 0.2885-0.0000 0.3221 ( 1558 PWs) bands (ev): -7.2961 -7.2961 -6.4995 -6.4995 -2.8477 -2.8477 -2.4896 -2.4896 4.5427 4.5427 4.8239 4.8239 5.3366 5.3366 6.0825 6.0825 6.9989 6.9989 7.5204 7.5204 7.7305 7.7305 8.8493 8.8493 9.5499 9.5499 9.9725 9.9725 10.1888 10.1888 k = 0.2981-0.0000 0.3221 ( 1552 PWs) bands (ev): -7.2229 -7.2229 -6.4379 -6.4379 -2.9227 -2.9227 -2.6085 -2.6085 4.5440 4.5440 4.8469 4.8469 5.4064 5.4064 6.1421 6.1421 7.0539 7.0539 7.5571 7.5571 7.6378 7.6378 8.8041 8.8041 9.4790 9.4790 9.8538 9.8538 10.1077 10.1077 k = 0.3077-0.0000 0.3221 ( 1552 PWs) bands (ev): -7.1475 -7.1475 -6.3746 -6.3746 -2.9996 -2.9996 -2.7288 -2.7288 4.5486 4.5486 4.8725 4.8725 5.4783 5.4783 6.2032 6.2032 7.1095 7.1095 7.5428 7.5428 7.5921 7.5921 8.7628 8.7628 9.4063 9.4063 9.7344 9.7344 10.0284 10.0284 k = 0.3173-0.0000 0.3221 ( 1552 PWs) bands (ev): -7.0700 -7.0700 -6.3096 -6.3096 -3.0783 -3.0783 -2.8502 -2.8502 4.5566 4.5566 4.9003 4.9003 5.5523 5.5523 6.2659 6.2659 7.1653 7.1653 7.4554 7.4554 7.6150 7.6150 8.7271 8.7271 9.3321 9.3321 9.6143 9.6143 9.9510 9.9510 k = 0.3269-0.0000 0.3221 ( 1556 PWs) bands (ev): -6.9904 -6.9904 -6.2431 -6.2431 -3.1586 -3.1586 -2.9724 -2.9724 4.5677 4.5677 4.9301 4.9301 5.6283 5.6283 6.3301 6.3301 7.2194 7.2194 7.3714 7.3714 7.6302 7.6302 8.6986 8.6986 9.2564 9.2564 9.4937 9.4937 9.8757 9.8757 k = 0.3365-0.0000 0.3221 ( 1556 PWs) bands (ev): -6.9087 -6.9087 -6.1750 -6.1750 -3.2405 -3.2405 -3.0953 -3.0953 4.5821 4.5821 4.9616 4.9616 5.7064 5.7064 6.3957 6.3957 7.2485 7.2485 7.3157 7.3157 7.6353 7.6353 8.6786 8.6786 9.1794 9.1794 9.3729 9.3729 9.8027 9.8027 k = 0.3462-0.0000 0.3221 ( 1556 PWs) bands (ev): -6.8249 -6.8249 -6.1056 -6.1056 -3.3237 -3.3237 -3.2185 -3.2185 4.5995 4.5995 4.9942 4.9942 5.7864 5.7864 6.4626 6.4626 7.1887 7.1887 7.3526 7.3526 7.6290 7.6290 8.6679 8.6679 9.1011 9.1011 9.2520 9.2520 9.7323 9.7323 k = 0.3558-0.0000 0.3221 ( 1546 PWs) bands (ev): -6.7391 -6.7391 -6.0347 -6.0347 -3.4081 -3.4081 -3.3420 -3.3420 4.6200 4.6200 5.0276 5.0276 5.8683 5.8683 6.5308 6.5308 7.1129 7.1129 7.4096 7.4096 7.6113 7.6113 8.6666 8.6666 9.0219 9.0219 9.1312 9.1312 9.6652 9.6652 k = 0.3654-0.0000 0.3221 ( 1542 PWs) bands (ev): -6.6513 -6.6513 -5.9626 -5.9626 -3.4936 -3.4936 -3.4655 -3.4655 4.6434 4.6434 5.0611 5.0611 5.9522 5.9522 6.6003 6.6003 7.0388 7.0388 7.4693 7.4693 7.5826 7.5826 8.6736 8.6736 8.9417 8.9417 9.0108 9.0108 9.6018 9.6018 k = 0.3750-0.0000 0.3221 ( 1538 PWs) bands (ev): -6.5616 -6.5616 -5.8892 -5.8892 -3.5888 -3.5888 -3.5799 -3.5799 4.6694 4.6694 5.0943 5.0943 6.0379 6.0379 6.6708 6.6708 6.9687 6.9687 7.5280 7.5280 7.5464 7.5464 8.6866 8.6866 8.8607 8.8607 8.8909 8.8909 9.5432 9.5432 k = 0.3846-0.0000 0.3221 ( 1540 PWs) bands (ev): -6.4700 -6.4700 -5.8149 -5.8149 -3.7116 -3.7116 -3.6671 -3.6671 4.6980 4.6980 5.1262 5.1262 6.1254 6.1254 6.7421 6.7421 6.9035 6.9035 7.4960 7.4960 7.5934 7.5934 8.7022 8.7022 8.7719 8.7719 8.7797 8.7797 9.4909 9.4909 k = 0.3942-0.0000 0.3221 ( 1540 PWs) bands (ev): -6.3767 -6.3767 -5.7397 -5.7397 -3.8336 -3.8336 -3.7548 -3.7548 4.7291 4.7291 5.1562 5.1562 6.2146 6.2146 6.8133 6.8133 6.8451 6.8451 7.4426 7.4426 7.6558 7.6558 8.6519 8.6519 8.6923 8.6923 8.7253 8.7253 9.4469 9.4469 k = 0.4038-0.0000 0.3221 ( 1542 PWs) bands (ev): -6.2816 -6.2816 -5.6638 -5.6638 -3.9546 -3.9546 -3.8430 -3.8430 4.7623 4.7623 5.1833 5.1833 6.3054 6.3054 6.7906 6.7906 6.8878 6.8878 7.3840 7.3840 7.7191 7.7191 8.5352 8.5352 8.6120 8.6120 8.7349 8.7349 9.4138 9.4138 k = 0.4135-0.0000 0.3221 ( 1546 PWs) bands (ev): -6.1849 -6.1849 -5.5877 -5.5877 -4.0742 -4.0742 -3.9313 -3.9313 4.7975 4.7975 5.2066 5.2066 6.3978 6.3978 6.7458 6.7458 6.9607 6.9607 7.3218 7.3218 7.7829 7.7829 8.4196 8.4196 8.5291 8.5291 8.7391 8.7391 9.3945 9.3945 k = 0.4231-0.0000 0.3221 ( 1550 PWs) bands (ev): -6.0867 -6.0867 -5.5118 -5.5118 -4.1917 -4.1917 -4.0197 -4.0197 4.8344 4.8344 5.2249 5.2249 6.4915 6.4915 6.7095 6.7095 7.0334 7.0334 7.2572 7.2572 7.8470 7.8470 8.3059 8.3059 8.4460 8.4460 8.7323 8.7323 9.3912 9.3912 k = 0.4327-0.0000 0.3221 ( 1550 PWs) bands (ev): -5.9872 -5.9872 -5.4369 -5.4369 -4.3063 -4.3063 -4.1079 -4.1079 4.8727 4.8727 5.2376 5.2376 6.5864 6.5864 6.6828 6.6828 7.1053 7.1053 7.1916 7.1916 7.9116 7.9116 8.1950 8.1950 8.3630 8.3630 8.7132 8.7132 9.4042 9.4042 k = 0.4423-0.0000 0.3221 ( 1550 PWs) bands (ev): -5.8866 -5.8866 -5.3644 -5.3644 -4.4167 -4.4167 -4.1955 -4.1955 4.9120 4.9120 5.2437 5.2437 6.6635 6.6635 6.6852 6.6852 7.1254 7.1254 7.1754 7.1754 7.9764 7.9764 8.0881 8.0881 8.2805 8.2805 8.6823 8.6823 9.4321 9.4321 k = 0.4519-0.0000 0.3221 ( 1550 PWs) bands (ev): -5.7853 -5.7853 -5.2968 -5.2968 -4.5201 -4.5201 -4.2822 -4.2822 4.9520 4.9520 5.2429 5.2429 6.6592 6.6592 6.7803 6.7803 7.0605 7.0605 7.2406 7.2406 7.9875 7.9875 8.0412 8.0412 8.1989 8.1989 8.6418 8.6418 9.4723 9.4723 k = 0.4615-0.0000 0.3221 ( 1552 PWs) bands (ev): -5.6836 -5.6836 -5.2390 -5.2390 -4.6118 -4.6118 -4.3674 -4.3674 4.9922 4.9922 5.2349 5.2349 6.6639 6.6639 6.8769 6.8769 6.9976 6.9976 7.2970 7.2970 7.8979 7.8979 8.1030 8.1030 8.1215 8.1215 8.5940 8.5940 9.5220 9.5220 k = 0.4712-0.0000 0.3221 ( 1556 PWs) bands (ev): -5.5823 -5.5823 -5.2007 -5.2007 -4.6821 -4.6821 -4.4504 -4.4504 5.0319 5.0319 5.2202 5.2202 6.6788 6.6788 6.9326 6.9326 6.9778 6.9778 7.3355 7.3355 7.8279 7.8279 8.0392 8.0392 8.1716 8.1716 8.5408 8.5408 9.5788 9.5788 k = 0.4808-0.0000 0.3221 ( 1564 PWs) bands (ev): -5.4828 -5.4828 -5.1959 -5.1959 -4.7168 -4.7168 -4.5298 -4.5298 5.0706 5.0706 5.1992 5.1992 6.7033 6.7033 6.8775 6.8775 7.0708 7.0708 7.3425 7.3425 7.7915 7.7915 7.9643 7.9643 8.2357 8.2357 8.4837 8.4837 9.6409 9.6409 k = 0.4904-0.0000 0.3221 ( 1572 PWs) bands (ev): -5.3875 -5.3875 -5.2324 -5.2324 -4.7082 -4.7082 -4.6031 -4.6031 5.1076 5.1076 5.1728 5.1728 6.7365 6.7365 6.8247 6.8247 7.1618 7.1618 7.3093 7.3093 7.7971 7.7971 7.8951 7.8951 8.2995 8.2995 8.4239 8.4239 9.7068 9.7068 k = 0.5000-0.0000 0.3221 ( 1572 PWs) bands (ev): -5.3009 -5.3009 -5.3009 -5.3009 -4.6656 -4.6656 -4.6656 -4.6656 5.1420 5.1420 5.1420 5.1420 6.7773 6.7773 6.7773 6.7773 7.2445 7.2445 7.2445 7.2445 7.8363 7.8363 7.8363 7.8363 8.3624 8.3624 8.3624 8.3624 9.7756 9.7756 k = 0.5000-0.0000 0.3221 ( 1572 PWs) bands (ev): -5.3009 -5.3009 -5.3009 -5.3009 -4.6656 -4.6656 -4.6656 -4.6656 5.1420 5.1420 5.1420 5.1420 6.7773 6.7773 6.7773 6.7773 7.2445 7.2445 7.2445 7.2445 7.8363 7.8363 7.8363 7.8363 8.3624 8.3624 8.3624 8.3624 9.7756 9.7756 k = 0.5000 0.0096 0.3221 ( 1572 PWs) bands (ev): -5.3002 -5.3002 -5.3001 -5.3001 -4.6649 -4.6649 -4.6649 -4.6649 5.1386 5.1386 5.1389 5.1389 6.7589 6.7589 6.7668 6.7668 7.2437 7.2437 7.2493 7.2493 7.8165 7.8165 7.8230 7.8230 8.3876 8.3876 8.3893 8.3893 9.7789 9.7789 k = 0.5000 0.0193 0.3221 ( 1572 PWs) bands (ev): -5.2978 -5.2978 -5.2977 -5.2977 -4.6627 -4.6627 -4.6626 -4.6626 5.1287 5.1287 5.1293 5.1293 6.7136 6.7136 6.7282 6.7282 7.2472 7.2472 7.2572 7.2572 7.7724 7.7724 7.7839 7.7839 8.4570 8.4570 8.4591 8.4591 9.7917 9.7917 k = 0.5000 0.0289 0.3221 ( 1564 PWs) bands (ev): -5.2938 -5.2938 -5.2937 -5.2937 -4.6589 -4.6589 -4.6589 -4.6589 5.1122 5.1122 5.1132 5.1132 6.6456 6.6456 6.6649 6.6649 7.2538 7.2538 7.2665 7.2665 7.7175 7.7175 7.7325 7.7325 8.5551 8.5551 8.5568 8.5568 9.8135 9.8135 k = 0.5000 0.0385 0.3221 ( 1556 PWs) bands (ev): -5.2883 -5.2883 -5.2881 -5.2881 -4.6537 -4.6537 -4.6536 -4.6536 5.0889 5.0889 5.0902 5.0902 6.5592 6.5592 6.5816 6.5816 7.2621 7.2621 7.2762 7.2762 7.6600 7.6600 7.6777 7.6777 8.6707 8.6707 8.6714 8.6714 9.8434 9.8434 k = 0.5000 0.0482 0.3221 ( 1552 PWs) bands (ev): -5.2812 -5.2812 -5.2810 -5.2810 -4.6471 -4.6471 -4.6469 -4.6469 5.0586 5.0586 5.0604 5.0604 6.4588 6.4588 6.4831 6.4831 7.2713 7.2713 7.2858 7.2858 7.6037 7.6037 7.6234 7.6234 8.7965 8.7965 8.7969 8.7969 9.8804 9.8804 k = 0.5000 0.0578 0.3221 ( 1548 PWs) bands (ev): -5.2725 -5.2725 -5.2723 -5.2723 -4.6389 -4.6389 -4.6388 -4.6388 5.0211 5.0211 5.0233 5.0233 6.3481 6.3481 6.3734 6.3734 7.2808 7.2808 7.2953 7.2953 7.5501 7.5501 7.5713 7.5713 8.9284 8.9284 8.9297 8.9297 9.9233 9.9233 k = 0.5000 0.0674 0.3221 ( 1548 PWs) bands (ev): -5.2623 -5.2623 -5.2621 -5.2621 -4.6293 -4.6293 -4.6291 -4.6291 4.9760 4.9760 4.9787 4.9787 6.2301 6.2301 6.2560 6.2560 7.2906 7.2906 7.3046 7.3046 7.4997 7.4997 7.5221 7.5221 9.0645 9.0645 9.0668 9.0668 9.9708 9.9708 k = 0.5000 0.0770 0.3221 ( 1544 PWs) bands (ev): -5.2507 -5.2507 -5.2504 -5.2504 -4.6183 -4.6183 -4.6181 -4.6181 4.9232 4.9232 4.9265 4.9265 6.1075 6.1075 6.1335 6.1335 7.3007 7.3007 7.3141 7.3141 7.4530 7.4530 7.4761 7.4761 9.2030 9.2030 9.2062 9.2062 10.0217 10.0217 k = 0.5000 0.0867 0.3221 ( 1544 PWs) bands (ev): -5.2375 -5.2375 -5.2372 -5.2372 -4.6058 -4.6058 -4.6056 -4.6056 4.8625 4.8625 4.8663 4.8663 5.9821 5.9821 6.0082 6.0082 7.3110 7.3110 7.3238 7.3238 7.4101 7.4101 7.4337 7.4337 9.3427 9.3427 9.3466 9.3466 10.0748 10.0748 k = 0.5000 0.0963 0.3221 ( 1544 PWs) bands (ev): -5.2229 -5.2229 -5.2226 -5.2226 -4.5920 -4.5920 -4.5917 -4.5917 4.7938 4.7938 4.7982 4.7982 5.8557 5.8557 5.8815 5.8815 7.3216 7.3216 7.3338 7.3338 7.3713 7.3713 7.3952 7.3952 9.4825 9.4825 9.4871 9.4871 10.1291 10.1291 k = 0.5000 0.1059 0.3221 ( 1544 PWs) bands (ev): -5.2070 -5.2070 -5.2066 -5.2066 -4.5768 -4.5768 -4.5765 -4.5765 4.7172 4.7172 4.7220 4.7220 5.7294 5.7294 5.7549 5.7549 7.3303 7.3303 7.3393 7.3393 7.3435 7.3435 7.3614 7.3614 9.6215 9.6215 9.6268 9.6268 10.1834 10.1834 k = 0.5000 0.1156 0.3221 ( 1548 PWs) bands (ev): -5.1896 -5.1896 -5.1893 -5.1893 -4.5602 -4.5602 -4.5599 -4.5599 4.6328 4.6328 4.6380 4.6380 5.6042 5.6042 5.6291 5.6291 7.3056 7.3056 7.3292 7.3292 7.3453 7.3453 7.3564 7.3564 9.7590 9.7590 9.7651 9.7651 10.2371 10.2371 k = 0.5000 0.1252 0.3221 ( 1548 PWs) bands (ev): -5.1710 -5.1710 -5.1706 -5.1706 -4.5423 -4.5423 -4.5419 -4.5419 4.5411 4.5411 4.5465 4.5465 5.4807 5.4807 5.5050 5.5050 7.2802 7.2802 7.3037 7.3037 7.3573 7.3573 7.3676 7.3676 9.8944 9.8944 9.9012 9.9012 10.2893 10.2893 k = 0.5000 0.1348 0.3221 ( 1548 PWs) bands (ev): -5.1511 -5.1511 -5.1507 -5.1507 -4.5230 -4.5230 -4.5227 -4.5227 4.4424 4.4424 4.4480 4.4480 5.3594 5.3594 5.3828 5.3828 7.2593 7.2593 7.2823 7.2823 7.3699 7.3699 7.3796 7.3796 10.0268 10.0268 10.0347 10.0347 10.3394 10.3394 k = 0.5000 0.1445 0.3221 ( 1552 PWs) bands (ev): -5.1301 -5.1301 -5.1296 -5.1296 -4.5026 -4.5026 -4.5022 -4.5022 4.3376 4.3376 4.3431 4.3431 5.2404 5.2404 5.2628 5.2628 7.2428 7.2428 7.2654 7.2654 7.3830 7.3830 7.3923 7.3923 10.1553 10.1553 10.1646 10.1646 10.3873 10.3873 k = 0.5000 0.1541 0.3221 ( 1556 PWs) bands (ev): -5.1079 -5.1079 -5.1074 -5.1074 -4.4809 -4.4809 -4.4805 -4.4805 4.2273 4.2273 4.2327 4.2327 5.1239 5.1239 5.1452 5.1452 7.2308 7.2308 7.2528 7.2528 7.3967 7.3967 7.4055 7.4055 10.2780 10.2780 10.2895 10.2895 10.4335 10.4335 k = 0.5000 0.1637 0.3221 ( 1560 PWs) bands (ev): -5.0846 -5.0846 -5.0842 -5.0842 -4.4580 -4.4580 -4.4576 -4.4576 4.1125 4.1125 4.1176 4.1176 5.0098 5.0098 5.0298 5.0298 7.2231 7.2231 7.2444 7.2444 7.4108 7.4108 7.4192 7.4192 10.3899 10.3899 10.4032 10.4032 10.4834 10.4834 k = 0.5000 0.1734 0.3221 ( 1560 PWs) bands (ev): -5.0604 -5.0604 -5.0599 -5.0599 -4.4340 -4.4340 -4.4336 -4.4336 3.9940 3.9940 3.9988 3.9988 4.8979 4.8979 4.9167 4.9167 7.2195 7.2195 7.2401 7.2401 7.4255 7.4255 7.4334 7.4334 10.4763 10.4763 10.4798 10.4798 10.5624 10.5624 k = 0.5000 0.1830 0.3221 ( 1560 PWs) bands (ev): -5.0353 -5.0353 -5.0348 -5.0348 -4.4089 -4.4089 -4.4085 -4.4085 3.8726 3.8726 3.8771 3.8771 4.7883 4.7883 4.8058 4.8058 7.2197 7.2197 7.2397 7.2397 7.4405 7.4405 7.4481 7.4481 10.5203 10.5203 10.5286 10.5286 10.6689 10.6689 k = 0.5000 0.1926 0.3221 ( 1564 PWs) bands (ev): -5.0093 -5.0093 -5.0088 -5.0088 -4.3828 -4.3828 -4.3824 -4.3824 3.7493 3.7493 3.7534 3.7534 4.6807 4.6807 4.6970 4.6970 7.2235 7.2235 7.2428 7.2428 7.4559 7.4559 7.4632 7.4632 10.5492 10.5492 10.5624 10.5624 10.7780 10.7780 k = 0.5000 0.2023 0.3221 ( 1560 PWs) bands (ev): -4.9827 -4.9827 -4.9821 -4.9821 -4.3557 -4.3557 -4.3553 -4.3553 3.6248 3.6248 3.6285 3.6285 4.5752 4.5752 4.5902 4.5902 7.2307 7.2307 7.2493 7.2493 7.4717 7.4717 7.4787 7.4787 10.5718 10.5718 10.5872 10.5872 10.8842 10.8858 k = 0.5000 0.2119 0.3221 ( 1552 PWs) bands (ev): -4.9554 -4.9554 -4.9548 -4.9548 -4.3278 -4.3278 -4.3273 -4.3273 3.4997 3.4997 3.5030 3.5030 4.4717 4.4717 4.4856 4.4856 7.2410 7.2410 7.2588 7.2588 7.4879 7.4879 7.4946 7.4946 10.5890 10.5890 10.6054 10.6054 10.9865 10.9870 k = 0.5000 0.2215 0.3221 ( 1548 PWs) bands (ev): -4.9276 -4.9276 -4.9270 -4.9270 -4.2990 -4.2990 -4.2985 -4.2985 3.3747 3.3747 3.3776 3.3776 4.3703 4.3703 4.3831 4.3831 7.2540 7.2540 7.2712 7.2712 7.5043 7.5043 7.5107 7.5107 10.6011 10.6011 10.6181 10.6181 11.0839 11.0840 k = 0.5000 0.2311 0.3221 ( 1548 PWs) bands (ev): -4.8994 -4.8994 -4.8988 -4.8988 -4.2694 -4.2694 -4.2690 -4.2690 3.2504 3.2504 3.2529 3.2529 4.2710 4.2710 4.2827 4.2827 7.2695 7.2695 7.2860 7.2860 7.5209 7.5209 7.5271 7.5271 10.6085 10.6085 10.6256 10.6256 11.1764 11.1766 k = 0.5000 0.2408 0.3221 ( 1544 PWs) bands (ev): -4.8708 -4.8708 -4.8703 -4.8703 -4.2392 -4.2392 -4.2388 -4.2388 3.1272 3.1272 3.1295 3.1295 4.1740 4.1740 4.1847 4.1847 7.2873 7.2873 7.3032 7.3032 7.5378 7.5378 7.5436 7.5436 10.6114 10.6114 10.6284 10.6284 11.2640 11.2644 k = 0.5000 0.2504 0.3221 ( 1544 PWs) bands (ev): -4.8421 -4.8421 -4.8416 -4.8416 -4.2085 -4.2085 -4.2081 -4.2081 3.0057 3.0057 3.0077 3.0077 4.0793 4.0793 4.0891 4.0891 7.3072 7.3072 7.3223 7.3223 7.5547 7.5547 7.5604 7.5604 10.6099 10.6099 10.6267 10.6267 11.3466 11.3472 k = 0.5000 0.2600 0.3221 ( 1544 PWs) bands (ev): -4.8134 -4.8134 -4.8128 -4.8128 -4.1773 -4.1773 -4.1769 -4.1769 2.8863 2.8863 2.8880 2.8880 3.9871 3.9871 3.9960 3.9960 7.3287 7.3287 7.3432 7.3432 7.5717 7.5717 7.5772 7.5772 10.6044 10.6044 10.6210 10.6210 11.4241 11.4250 k = 0.5000 0.2697 0.3221 ( 1544 PWs) bands (ev): -4.7847 -4.7847 -4.7842 -4.7842 -4.1457 -4.1457 -4.1453 -4.1453 2.7693 2.7693 2.7708 2.7708 3.8976 3.8976 3.9057 3.9057 7.3517 7.3517 7.3655 7.3655 7.5888 7.5888 7.5940 7.5940 10.5951 10.5952 10.6114 10.6114 11.4972 11.4979 k = 0.5000 0.2793 0.3221 ( 1544 PWs) bands (ev): -4.7562 -4.7562 -4.7557 -4.7557 -4.1140 -4.1140 -4.1136 -4.1136 2.6552 2.6552 2.6564 2.6564 3.8109 3.8109 3.8183 3.8183 7.3759 7.3759 7.3891 7.3891 7.6058 7.6058 7.6109 7.6109 10.5825 10.5825 10.5983 10.5983 11.5650 11.5657 k = 0.5000 0.2889 0.3221 ( 1548 PWs) bands (ev): -4.7281 -4.7281 -4.7276 -4.7276 -4.0822 -4.0822 -4.0818 -4.0818 2.5443 2.5443 2.5453 2.5453 3.7272 3.7272 3.7340 3.7340 7.4011 7.4011 7.4135 7.4135 7.6227 7.6227 7.6277 7.6277 10.5668 10.5668 10.5822 10.5822 11.6277 11.6287 k = 0.5000 0.2986 0.3221 ( 1548 PWs) bands (ev): -4.7005 -4.7005 -4.7000 -4.7000 -4.0504 -4.0504 -4.0500 -4.0500 2.4369 2.4369 2.4377 2.4377 3.6468 3.6468 3.6529 3.6529 7.4269 7.4269 7.4386 7.4386 7.6396 7.6396 7.6445 7.6445 10.5486 10.5486 10.5634 10.5634 11.6860 11.6871 k = 0.5000 0.3082 0.3221 ( 1556 PWs) bands (ev): -4.6734 -4.6734 -4.6729 -4.6729 -4.0189 -4.0189 -4.0185 -4.0185 2.3333 2.3333 2.3340 2.3340 3.5697 3.5697 3.5752 3.5752 7.4530 7.4530 7.4641 7.4641 7.6564 7.6564 7.6612 7.6612 10.5279 10.5279 10.5421 10.5421 11.7397 11.7403 k = 0.5000 0.3178 0.3221 ( 1552 PWs) bands (ev): -4.6471 -4.6471 -4.6467 -4.6467 -3.9878 -3.9878 -3.9874 -3.9874 2.2339 2.2339 2.2345 2.2345 3.4962 3.4962 3.5012 3.5012 7.4793 7.4793 7.4896 7.4896 7.6732 7.6732 7.6778 7.6778 10.5056 10.5056 10.5192 10.5192 11.7890 11.7898 k = 0.5000 0.3275 0.3221 ( 1552 PWs) bands (ev): -4.6217 -4.6217 -4.6213 -4.6213 -3.9573 -3.9573 -3.9569 -3.9569 2.1390 2.1390 2.1395 2.1395 3.4264 3.4264 3.4309 3.4309 7.5053 7.5053 7.5148 7.5148 7.6897 7.6897 7.6943 7.6943 10.4818 10.4818 10.4947 10.4947 11.8338 11.8346 k = 0.5000 0.3371 0.3221 ( 1552 PWs) bands (ev): -4.5974 -4.5974 -4.5970 -4.5970 -3.9275 -3.9275 -3.9272 -3.9272 2.0489 2.0489 2.0493 2.0493 3.3606 3.3606 3.3646 3.3646 7.5307 7.5307 7.5395 7.5395 7.7061 7.7061 7.7107 7.7107 10.4570 10.4570 10.4692 10.4692 11.8745 11.8754 k = 0.5000 0.3467 0.3221 ( 1552 PWs) bands (ev): -4.5742 -4.5742 -4.5738 -4.5738 -3.8988 -3.8988 -3.8985 -3.8985 1.9639 1.9639 1.9642 1.9642 3.2988 3.2988 3.3025 3.3025 7.5552 7.5552 7.5632 7.5632 7.7224 7.7224 7.7269 7.7269 10.4317 10.4317 10.4432 10.4432 11.9116 11.9120 k = 0.5000 0.3563 0.3221 ( 1552 PWs) bands (ev): -4.5523 -4.5523 -4.5519 -4.5519 -3.8712 -3.8712 -3.8710 -3.8710 1.8843 1.8843 1.8845 1.8845 3.2413 3.2413 3.2446 3.2446 7.5785 7.5785 7.5856 7.5856 7.7385 7.7385 7.7429 7.7429 10.4062 10.4062 10.4170 10.4170 11.9445 11.9448 k = 0.5000 0.3660 0.3221 ( 1556 PWs) bands (ev): -4.5318 -4.5318 -4.5315 -4.5315 -3.8451 -3.8451 -3.8449 -3.8449 1.8104 1.8104 1.8106 1.8106 3.1883 3.1883 3.1912 3.1912 7.6003 7.6003 7.6066 7.6066 7.7543 7.7543 7.7586 7.7586 10.3811 10.3811 10.3911 10.3911 11.9738 11.9744 k = 0.5000 0.3756 0.3221 ( 1556 PWs) bands (ev): -4.5129 -4.5129 -4.5126 -4.5126 -3.8206 -3.8206 -3.8204 -3.8204 1.7425 1.7425 1.7426 1.7426 3.1398 3.1398 3.1423 3.1423 7.6203 7.6203 7.6258 7.6258 7.7697 7.7697 7.7740 7.7740 10.3568 10.3568 10.3659 10.3659 11.9998 12.0003 k = 0.5000 0.3852 0.3221 ( 1552 PWs) bands (ev): -4.4956 -4.4956 -4.4954 -4.4954 -3.7979 -3.7979 -3.7977 -3.7977 1.6809 1.6809 1.6809 1.6809 3.0960 3.0960 3.0982 3.0982 7.6383 7.6383 7.6430 7.6430 7.7848 7.7848 7.7888 7.7888 10.3338 10.3338 10.3420 10.3420 12.0228 12.0230 k = 0.5000 0.3949 0.3221 ( 1544 PWs) bands (ev): -4.4801 -4.4801 -4.4799 -4.4799 -3.7773 -3.7773 -3.7771 -3.7771 1.6258 1.6258 1.6258 1.6258 3.0571 3.0571 3.0590 3.0590 7.6543 7.6543 7.6582 7.6582 7.7990 7.7990 7.8029 7.8029 10.3125 10.3125 10.3198 10.3198 12.0423 12.0426 k = 0.5000 0.4045 0.3221 ( 1548 PWs) bands (ev): -4.4665 -4.4665 -4.4663 -4.4663 -3.7590 -3.7590 -3.7588 -3.7588 1.5775 1.5775 1.5775 1.5775 3.0231 3.0231 3.0247 3.0247 7.6680 7.6680 7.6712 7.6712 7.8123 7.8123 7.8158 7.8158 10.2930 10.2930 10.2994 10.2994 12.0590 12.0592 k = 0.5000 0.4141 0.3221 ( 1548 PWs) bands (ev): -4.4548 -4.4548 -4.4546 -4.4546 -3.7431 -3.7431 -3.7430 -3.7430 1.5361 1.5361 1.5361 1.5361 2.9942 2.9942 2.9955 2.9955 7.6795 7.6795 7.6821 7.6821 7.8244 7.8244 7.8274 7.8274 10.2760 10.2760 10.2813 10.2813 12.0729 12.0730 k = 0.5000 0.4238 0.3221 ( 1552 PWs) bands (ev): -4.4451 -4.4451 -4.4450 -4.4450 -3.7298 -3.7298 -3.7298 -3.7298 1.5020 1.5020 1.5020 1.5020 2.9704 2.9704 2.9715 2.9715 7.6889 7.6889 7.6909 7.6909 7.8348 7.8348 7.8374 7.8374 10.2616 10.2616 10.2659 10.2659 12.0841 12.0842 k = 0.5000 0.4334 0.3221 ( 1552 PWs) bands (ev): -4.4375 -4.4375 -4.4374 -4.4374 -3.7194 -3.7194 -3.7193 -3.7193 1.4753 1.4753 1.4753 1.4753 2.9519 2.9519 2.9527 2.9527 7.6962 7.6962 7.6977 7.6977 7.8434 7.8434 7.8454 7.8454 10.2503 10.2503 10.2535 10.2535 12.0927 12.0928 k = 0.5000 0.4430 0.3221 ( 1552 PWs) bands (ev): -4.4320 -4.4320 -4.4320 -4.4320 -3.7118 -3.7118 -3.7118 -3.7118 1.4561 1.4561 1.4561 1.4561 2.9387 2.9387 2.9392 2.9392 7.7014 7.7014 7.7024 7.7024 7.8498 7.8498 7.8512 7.8512 10.2422 10.2422 10.2444 10.2444 12.0988 12.0989 k = 0.5000 0.4527 0.3221 ( 1548 PWs) bands (ev): -4.4287 -4.4287 -4.4287 -4.4287 -3.7072 -3.7072 -3.7072 -3.7072 1.4446 1.4446 1.4446 1.4446 2.9308 2.9308 2.9310 2.9310 7.7046 7.7046 7.7051 7.7051 7.8539 7.8539 7.8546 7.8546 10.2375 10.2375 10.2386 10.2386 12.1025 12.1026 k = 0.5000 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.4276 -4.4276 -4.4276 -4.4276 -3.7057 -3.7057 -3.7057 -3.7057 1.4407 1.4407 1.4407 1.4407 2.9282 2.9282 2.9282 2.9282 7.7058 7.7058 7.7058 7.7058 7.8555 7.8555 7.8555 7.8555 10.2364 10.2364 10.2364 10.2364 12.1038 12.1038 k = 0.5000 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.4276 -4.4276 -4.4276 -4.4276 -3.7057 -3.7057 -3.7057 -3.7057 1.4407 1.4407 1.4407 1.4407 2.9282 2.9282 2.9282 2.9282 7.7058 7.7058 7.7058 7.7058 7.8555 7.8555 7.8555 7.8555 10.2364 10.2364 10.2364 10.2364 12.1038 12.1038 k = 0.4904 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.4289 -4.4289 -4.4289 -4.4289 -3.7077 -3.7077 -3.7077 -3.7077 1.4452 1.4452 1.4452 1.4452 2.9308 2.9308 2.9311 2.9311 7.7044 7.7044 7.7049 7.7049 7.8535 7.8535 7.8543 7.8543 10.2381 10.2381 10.2393 10.2393 12.1035 12.1037 k = 0.4808 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4329 -4.4329 -4.4328 -4.4328 -3.7139 -3.7139 -3.7139 -3.7139 1.4584 1.4584 1.4585 1.4585 2.9389 2.9389 2.9394 2.9394 7.7006 7.7006 7.7016 7.7016 7.8484 7.8484 7.8498 7.8498 10.2443 10.2443 10.2468 10.2468 12.1030 12.1033 k = 0.4712 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4395 -4.4395 -4.4393 -4.4393 -3.7241 -3.7241 -3.7240 -3.7240 1.4804 1.4804 1.4805 1.4805 2.9525 2.9525 2.9531 2.9531 7.6944 7.6944 7.6958 7.6958 7.8404 7.8404 7.8424 7.8424 10.2552 10.2552 10.2589 10.2589 12.1022 12.1025 k = 0.4615 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4486 -4.4486 -4.4484 -4.4484 -3.7382 -3.7382 -3.7381 -3.7381 1.5111 1.5111 1.5112 1.5112 2.9714 2.9714 2.9723 2.9723 7.6857 7.6857 7.6877 7.6877 7.8296 7.8296 7.8322 7.8322 10.2704 10.2704 10.2753 10.2753 12.1010 12.1016 k = 0.4519 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4603 -4.4603 -4.4600 -4.4600 -3.7560 -3.7560 -3.7558 -3.7558 1.5501 1.5501 1.5502 1.5502 2.9956 2.9956 2.9968 2.9968 7.6744 7.6744 7.6771 7.6771 7.8165 7.8165 7.8195 7.8195 10.2897 10.2897 10.2958 10.2958 12.0994 12.0997 k = 0.4423 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4744 -4.4744 -4.4741 -4.4741 -3.7772 -3.7772 -3.7771 -3.7771 1.5974 1.5974 1.5975 1.5975 3.0251 3.0251 3.0265 3.0265 7.6606 7.6606 7.6639 7.6639 7.8013 7.8013 7.8048 7.8048 10.3127 10.3127 10.3199 10.3199 12.0974 12.0981 k = 0.4327 0.4623 0.3221 ( 1552 PWs) bands (ev): -4.4908 -4.4908 -4.4905 -4.4905 -3.8017 -3.8017 -3.8015 -3.8015 1.6525 1.6525 1.6527 1.6527 3.0597 3.0597 3.0614 3.0614 7.6441 7.6441 7.6482 7.6482 7.7846 7.7846 7.7884 7.7884 10.3391 10.3391 10.3474 10.3474 12.0946 12.0948 k = 0.4231 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.5096 -4.5096 -4.5092 -4.5092 -3.8292 -3.8292 -3.8290 -3.8290 1.7153 1.7153 1.7155 1.7155 3.0993 3.0993 3.1012 3.1012 7.6251 7.6251 7.6300 7.6300 7.7668 7.7668 7.7707 7.7707 10.3686 10.3686 10.3780 10.3780 12.0911 12.0923 k = 0.4135 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.5305 -4.5305 -4.5301 -4.5301 -3.8594 -3.8594 -3.8591 -3.8591 1.7854 1.7854 1.7855 1.7855 3.1437 3.1437 3.1459 3.1459 7.6035 7.6035 7.6093 7.6093 7.7481 7.7481 7.7520 7.7520 10.4005 10.4005 10.4109 10.4109 12.0866 12.0877 k = 0.4038 0.4623 0.3221 ( 1536 PWs) bands (ev): -4.5535 -4.5535 -4.5530 -4.5530 -3.8919 -3.8919 -3.8916 -3.8916 1.8625 1.8625 1.8626 1.8626 3.1928 3.1928 3.1954 3.1954 7.5797 7.5797 7.5863 7.5863 7.7288 7.7288 7.7327 7.7327 10.4345 10.4345 10.4459 10.4459 12.0812 12.0828 k = 0.3942 0.4623 0.3221 ( 1536 PWs) bands (ev): -4.5784 -4.5784 -4.5779 -4.5779 -3.9265 -3.9265 -3.9261 -3.9261 1.9461 1.9461 1.9462 1.9462 3.2464 3.2464 3.2493 3.2493 7.5538 7.5538 7.5613 7.5613 7.7090 7.7090 7.7129 7.7129 10.4702 10.4702 10.4825 10.4825 12.0744 12.0763 k = 0.3846 0.4623 0.3221 ( 1536 PWs) bands (ev): -4.6052 -4.6052 -4.6047 -4.6047 -3.9628 -3.9628 -3.9624 -3.9624 2.0360 2.0360 2.0360 2.0360 3.3044 3.3044 3.3077 3.3077 7.5263 7.5263 7.5346 7.5346 7.6889 7.6889 7.6928 7.6928 10.5071 10.5071 10.5204 10.5204 12.0662 12.0678 k = 0.3750 0.4623 0.3221 ( 1532 PWs) bands (ev): -4.6336 -4.6336 -4.6331 -4.6331 -4.0006 -4.0006 -4.0002 -4.0002 2.1317 2.1317 2.1317 2.1317 3.3665 3.3665 3.3702 3.3702 7.4974 7.4974 7.5067 7.5067 7.6685 7.6685 7.6724 7.6724 10.5449 10.5449 10.5590 10.5590 12.0566 12.0577 k = 0.3654 0.4623 0.3221 ( 1532 PWs) bands (ev): -4.6636 -4.6636 -4.6630 -4.6630 -4.0397 -4.0397 -4.0392 -4.0392 2.2328 2.2328 2.2330 2.2330 3.4325 3.4325 3.4367 3.4367 7.4677 7.4677 7.4778 7.4778 7.6478 7.6478 7.6517 7.6517 10.5830 10.5830 10.5980 10.5980 12.0456 12.0475 k = 0.3558 0.4623 0.3221 ( 1536 PWs) bands (ev): -4.6950 -4.6950 -4.6944 -4.6944 -4.0796 -4.0796 -4.0791 -4.0791 2.3391 2.3391 2.3394 2.3394 3.5023 3.5023 3.5069 3.5069 7.4376 7.4376 7.4484 7.4484 7.6269 7.6269 7.6308 7.6308 10.6210 10.6210 10.6369 10.6369 12.0315 12.0345 k = 0.3462 0.4623 0.3221 ( 1536 PWs) bands (ev): -4.7277 -4.7277 -4.7270 -4.7270 -4.1202 -4.1202 -4.1197 -4.1197 2.4502 2.4502 2.4506 2.4506 3.5756 3.5756 3.5807 3.5807 7.4073 7.4073 7.4189 7.4189 7.6058 7.6058 7.6098 7.6098 10.6586 10.6586 10.6753 10.6753 12.0156 12.0156 k = 0.3365 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.7614 -4.7614 -4.7607 -4.7607 -4.1613 -4.1613 -4.1607 -4.1607 2.5657 2.5657 2.5662 2.5662 3.6522 3.6522 3.6579 3.6579 7.3774 7.3774 7.3897 7.3897 7.5845 7.5845 7.5885 7.5885 10.6953 10.6953 10.7128 10.7128 11.9973 12.0009 k = 0.3269 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.7961 -4.7961 -4.7953 -4.7953 -4.2026 -4.2026 -4.2020 -4.2020 2.6851 2.6851 2.6859 2.6859 3.7318 3.7318 3.7382 3.7382 7.3481 7.3481 7.3611 7.3611 7.5632 7.5632 7.5672 7.5672 10.7310 10.7310 10.7493 10.7493 11.9764 11.9764 k = 0.3173 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.8315 -4.8315 -4.8308 -4.8308 -4.2439 -4.2439 -4.2433 -4.2433 2.8082 2.8082 2.8092 2.8092 3.8144 3.8144 3.8214 3.8214 7.3199 7.3199 7.3336 7.3336 7.5418 7.5418 7.5459 7.5459 10.7650 10.7650 10.7841 10.7841 11.9526 11.9527 k = 0.3077 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.8676 -4.8676 -4.8668 -4.8668 -4.2851 -4.2851 -4.2845 -4.2845 2.9346 2.9346 2.9358 2.9358 3.8996 3.8996 3.9074 3.9074 7.2930 7.2930 7.3074 7.3074 7.5205 7.5205 7.5247 7.5247 10.7971 10.7971 10.8170 10.8170 11.9257 11.9257 k = 0.2981 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.9042 -4.9042 -4.9034 -4.9034 -4.3260 -4.3260 -4.3253 -4.3253 3.0637 3.0637 3.0652 3.0652 3.9873 3.9873 3.9960 3.9960 7.2677 7.2677 7.2829 7.2829 7.4993 7.4993 7.5036 7.5036 10.8269 10.8269 10.8476 10.8476 11.8954 11.8954 k = 0.2885 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.9411 -4.9411 -4.9403 -4.9403 -4.3664 -4.3664 -4.3658 -4.3658 3.1951 3.1951 3.1970 3.1970 4.0773 4.0773 4.0869 4.0869 7.2445 7.2445 7.2604 7.2604 7.4783 7.4783 7.4827 7.4827 10.8541 10.8541 10.8757 10.8757 11.8617 11.8675 k = 0.2788 0.4623 0.3221 ( 1540 PWs) bands (ev): -4.9782 -4.9782 -4.9773 -4.9773 -4.4063 -4.4063 -4.4056 -4.4056 3.3283 3.3283 3.3306 3.3306 4.1694 4.1694 4.1802 4.1802 7.2235 7.2235 7.2401 7.2401 7.4577 7.4577 7.4623 7.4623 10.8784 10.8784 10.9008 10.9008 11.8241 11.8241 k = 0.2692 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.0153 -5.0153 -5.0144 -5.0144 -4.4455 -4.4455 -4.4448 -4.4448 3.4626 3.4626 3.4654 3.4654 4.2637 4.2637 4.2756 4.2756 7.2051 7.2051 7.2225 7.2225 7.4376 7.4376 7.4423 7.4423 10.8995 10.8995 10.9227 10.9227 11.7825 11.7825 k = 0.2596 0.4623 0.3221 ( 1556 PWs) bands (ev): -5.0522 -5.0522 -5.0514 -5.0514 -4.4839 -4.4839 -4.4832 -4.4832 3.5975 3.5975 3.6008 3.6008 4.3601 4.3601 4.3732 4.3732 7.1896 7.1896 7.2077 7.2077 7.4183 7.4183 7.4231 7.4231 10.9170 10.9170 10.9410 10.9410 11.7370 11.7370 k = 0.2500 0.4623 0.3221 ( 1556 PWs) bands (ev): -5.0890 -5.0890 -5.0881 -5.0881 -4.5215 -4.5215 -4.5208 -4.5208 3.7320 3.7320 3.7359 3.7359 4.4587 4.4587 4.4733 4.4733 7.1772 7.1772 7.1960 7.1960 7.3999 7.3999 7.4050 7.4050 10.9307 10.9307 10.9557 10.9557 11.6872 11.6872 k = 0.2404 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.1253 -5.1253 -5.1244 -5.1244 -4.5580 -4.5580 -4.5573 -4.5573 3.8651 3.8651 3.8698 3.8698 4.5599 4.5599 4.5759 4.5759 7.1681 7.1681 7.1877 7.1877 7.3828 7.3828 7.3880 7.3880 10.9405 10.9405 10.9664 10.9664 11.6330 11.6330 k = 0.2308 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.1611 -5.1611 -5.1603 -5.1603 -4.5936 -4.5936 -4.5929 -4.5929 3.9959 3.9959 4.0012 4.0012 4.6639 4.6639 4.6814 4.6814 7.1623 7.1623 7.1827 7.1827 7.3672 7.3672 7.3728 7.3728 10.9460 10.9460 10.9729 10.9729 11.5744 11.5744 k = 0.2212 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.1962 -5.1962 -5.1954 -5.1954 -4.6281 -4.6281 -4.6274 -4.6274 4.1229 4.1229 4.1288 4.1288 4.7715 4.7715 4.7904 4.7904 7.1600 7.1600 7.1810 7.1810 7.3538 7.3538 7.3597 7.3597 10.9468 10.9468 10.9748 10.9748 11.5114 11.5114 k = 0.2115 0.4623 0.3221 ( 1548 PWs) bands (ev): -5.2306 -5.2306 -5.2299 -5.2299 -4.6614 -4.6614 -4.6607 -4.6607 4.2448 4.2448 4.2511 4.2511 4.8831 4.8831 4.9035 4.9035 7.1607 7.1607 7.1822 7.1822 7.3433 7.3433 7.3498 7.3498 10.9428 10.9428 10.9719 10.9719 11.4439 11.4439 k = 0.2019 0.4623 0.3221 ( 1544 PWs) bands (ev): -5.2642 -5.2642 -5.2634 -5.2634 -4.6936 -4.6936 -4.6929 -4.6929 4.3603 4.3603 4.3668 4.3668 4.9996 4.9996 5.0211 5.0211 7.1640 7.1640 7.1857 7.1857 7.3367 7.3367 7.3441 7.3441 10.9336 10.9336 10.9640 10.9640 11.3722 11.3722 k = 0.1923 0.4623 0.3221 ( 1544 PWs) bands (ev): -5.2968 -5.2968 -5.2960 -5.2960 -4.7245 -4.7245 -4.7238 -4.7238 4.4681 4.4681 4.4746 4.4746 5.1211 5.1211 5.1436 5.1436 7.1687 7.1687 7.1902 7.1902 7.3355 7.3355 7.3444 7.3444 10.9187 10.9187 10.9506 10.9506 11.2965 11.2965 k = 0.1827 0.4623 0.3221 ( 1544 PWs) bands (ev): -5.3283 -5.3283 -5.3276 -5.3276 -4.7541 -4.7541 -4.7535 -4.7535 4.5674 4.5674 4.5736 4.5736 5.2479 5.2479 5.2710 5.2710 7.1737 7.1737 7.1944 7.1944 7.3416 7.3416 7.3523 7.3523 10.8974 10.8974 10.9310 10.9310 11.2175 11.2175 k = 0.1731 0.4623 0.3221 ( 1544 PWs) bands (ev): -5.3587 -5.3587 -5.3580 -5.3580 -4.7824 -4.7824 -4.7818 -4.7818 4.6578 4.6578 4.6635 4.6635 5.3794 5.3794 5.4030 5.4030 7.1779 7.1779 7.1975 7.1975 7.3562 7.3562 7.3691 7.3691 10.8687 10.8687 10.9038 10.9038 11.1365 11.1365 k = 0.1635 0.4623 0.3221 ( 1540 PWs) bands (ev): -5.3878 -5.3878 -5.3872 -5.3872 -4.8093 -4.8093 -4.8088 -4.8088 4.7393 4.7393 4.7442 4.7442 5.5148 5.5148 5.5386 5.5386 7.1812 7.1812 7.1996 7.1996 7.3800 7.3800 7.3951 7.3951 10.8305 10.8305 10.8666 10.8666 11.0565 11.0565 k = 0.1538 0.4623 0.3221 ( 1536 PWs) bands (ev): -5.4157 -5.4157 -5.4150 -5.4150 -4.8349 -4.8349 -4.8344 -4.8344 4.8121 4.8121 4.8161 4.8161 5.6527 5.6527 5.6767 5.6767 7.1842 7.1842 7.2018 7.2018 7.4128 7.4128 7.4298 7.4298 10.7799 10.7799 10.8146 10.8146 10.9822 10.9822 k = 0.1442 0.4623 0.3221 ( 1536 PWs) bands (ev): -5.4421 -5.4421 -5.4415 -5.4415 -4.8591 -4.8591 -4.8585 -4.8585 4.8766 4.8766 4.8798 4.8798 5.7915 5.7915 5.8157 5.8157 7.1883 7.1883 7.2054 7.2054 7.4536 7.4536 7.4722 7.4722 10.7138 10.7138 10.7435 10.7435 10.9181 10.9181 k = 0.1346 0.4623 0.3221 ( 1536 PWs) bands (ev): -5.4672 -5.4672 -5.4666 -5.4666 -4.8818 -4.8818 -4.8813 -4.8813 4.9334 4.9334 4.9358 4.9358 5.9295 5.9295 5.9537 5.9537 7.1952 7.1952 7.2121 7.2121 7.5016 7.5016 7.5212 7.5212 10.6316 10.6316 10.6546 10.6546 10.8636 10.8636 k = 0.1250 0.4623 0.3221 ( 1532 PWs) bands (ev): -5.4907 -5.4907 -5.4902 -5.4902 -4.9030 -4.9030 -4.9026 -4.9026 4.9831 4.9831 4.9848 4.9848 6.0643 6.0643 6.0887 6.0887 7.2068 7.2068 7.2236 7.2236 7.5558 7.5558 7.5762 7.5762 10.5357 10.5357 10.5529 10.5529 10.8133 10.8133 k = 0.1154 0.4623 0.3221 ( 1536 PWs) bands (ev): -5.5127 -5.5127 -5.5122 -5.5122 -4.9228 -4.9228 -4.9223 -4.9223 5.0263 5.0263 5.0274 5.0274 6.1933 6.1933 6.2176 6.2176 7.2252 7.2252 7.2420 7.2420 7.6152 7.6152 7.6361 7.6361 10.4296 10.4296 10.4426 10.4426 10.7614 10.7614 k = 0.1058 0.4623 0.3221 ( 1544 PWs) bands (ev): -5.5331 -5.5331 -5.5326 -5.5326 -4.9410 -4.9410 -4.9406 -4.9406 5.0636 5.0636 5.0643 5.0643 6.3134 6.3134 6.3373 6.3373 7.2531 7.2531 7.2696 7.2696 7.6791 7.6791 7.7002 7.7002 10.3158 10.3158 10.3259 10.3259 10.7109 10.7109 k = 0.0962 0.4623 0.3221 ( 1548 PWs) bands (ev): -5.5518 -5.5518 -5.5514 -5.5514 -4.9578 -4.9578 -4.9574 -4.9574 5.0956 5.0956 5.0959 5.0959 6.4211 6.4211 6.4442 6.4442 7.2932 7.2932 7.3090 7.3090 7.7469 7.7469 7.7680 7.7680 10.1961 10.1961 10.2041 10.2041 10.6611 10.6611 k = 0.0865 0.4623 0.3221 ( 1548 PWs) bands (ev): -5.5689 -5.5689 -5.5685 -5.5685 -4.9729 -4.9729 -4.9726 -4.9726 5.1229 5.1229 5.1229 5.1229 6.5134 6.5134 6.5348 6.5348 7.3476 7.3476 7.3620 7.3620 7.8181 7.8181 7.8390 7.8390 10.0716 10.0716 10.0781 10.0781 10.6122 10.6122 k = 0.0769 0.4623 0.3221 ( 1548 PWs) bands (ev): -5.5843 -5.5843 -5.5839 -5.5839 -4.9866 -4.9866 -4.9863 -4.9863 5.1457 5.1457 5.1459 5.1459 6.5883 6.5883 6.6075 6.6075 7.4165 7.4165 7.4287 7.4287 7.8925 7.8925 7.9129 7.9129 9.9432 9.9432 9.9488 9.9488 10.5644 10.5644 k = 0.0673 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.5979 -5.5979 -5.5976 -5.5976 -4.9986 -4.9986 -4.9983 -4.9983 5.1648 5.1648 5.1651 5.1651 6.6463 6.6463 6.6626 6.6626 7.4970 7.4970 7.5068 7.5068 7.9703 7.9703 7.9899 7.9899 9.8119 9.8119 9.8169 9.8169 10.5184 10.5184 k = 0.0577 0.4623 0.3221 ( 1556 PWs) bands (ev): -5.6098 -5.6098 -5.6095 -5.6095 -5.0091 -5.0091 -5.0088 -5.0088 5.1805 5.1805 5.1809 5.1809 6.6892 6.6892 6.7026 6.7026 7.5837 7.5837 7.5911 7.5911 8.0521 8.0521 8.0707 8.0707 9.6787 9.6787 9.6832 9.6832 10.4753 10.4753 k = 0.0481 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.6198 -5.6198 -5.6196 -5.6196 -5.0179 -5.0179 -5.0177 -5.0177 5.1933 5.1933 5.1936 5.1936 6.7202 6.7202 6.7307 6.7307 7.6698 7.6698 7.6751 7.6751 8.1393 8.1393 8.1562 8.1562 9.5447 9.5447 9.5491 9.5491 10.4362 10.4362 k = 0.0385 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.6281 -5.6281 -5.6279 -5.6279 -5.0252 -5.0252 -5.0250 -5.0250 5.2033 5.2033 5.2037 5.2037 6.7420 6.7420 6.7500 6.7500 7.7482 7.7482 7.7519 7.7519 8.2322 8.2322 8.2472 8.2472 9.4118 9.4118 9.4162 9.4162 10.4021 10.4021 k = 0.0288 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.6345 -5.6345 -5.6344 -5.6344 -5.0309 -5.0309 -5.0307 -5.0307 5.2109 5.2109 5.2112 5.2112 6.7571 6.7571 6.7628 6.7628 7.8131 7.8131 7.8157 7.8157 8.3300 8.3300 8.3425 8.3425 9.2834 9.2834 9.2877 9.2877 10.3743 10.3743 k = 0.0192 0.4623 0.3221 ( 1552 PWs) bands (ev): -5.6391 -5.6391 -5.6390 -5.6390 -5.0349 -5.0349 -5.0348 -5.0348 5.2162 5.2162 5.2164 5.2164 6.7670 6.7670 6.7707 6.7707 7.8611 7.8611 7.8628 7.8628 8.4268 8.4268 8.4364 8.4364 9.1658 9.1658 9.1699 9.1699 10.3539 10.3539 k = 0.0096 0.4623 0.3221 ( 1556 PWs) bands (ev): -5.6419 -5.6419 -5.6418 -5.6418 -5.0373 -5.0373 -5.0373 -5.0373 5.2194 5.2194 5.2195 5.2195 6.7729 6.7729 6.7747 6.7747 7.8903 7.8903 7.8912 7.8912 8.5083 8.5083 8.5139 8.5139 9.0740 9.0740 9.0769 9.0769 10.3417 10.3430 k = 0.0000 0.4623 0.3221 ( 1560 PWs) bands (ev): -5.6428 -5.6428 -5.6428 -5.6428 -5.0381 -5.0381 -5.0381 -5.0381 5.2205 5.2205 5.2205 5.2205 6.7754 6.7754 6.7754 6.7754 7.9004 7.9004 7.9004 7.9004 8.5449 8.5449 8.5449 8.5449 9.0374 9.0374 9.0374 9.0374 10.3382 10.3382 k = 0.0000 0.4623 0.3221 ( 1560 PWs) bands (ev): -5.6428 -5.6428 -5.6428 -5.6428 -5.0381 -5.0381 -5.0381 -5.0381 5.2205 5.2205 5.2205 5.2205 6.7754 6.7754 6.7754 6.7754 7.9004 7.9004 7.9004 7.9004 8.5449 8.5449 8.5449 8.5449 9.0374 9.0374 9.0374 9.0374 10.3382 10.3382 k = 0.0000 0.4527 0.3221 ( 1556 PWs) bands (ev): -5.7428 -5.7428 -5.5500 -5.5500 -5.1081 -5.1081 -4.9580 -4.9580 5.1665 5.1665 5.2720 5.2720 6.7265 6.7265 6.8289 6.8289 7.8585 7.8585 7.9225 7.9225 8.5471 8.5471 8.5643 8.5643 8.9607 8.9607 9.1104 9.1104 10.2693 10.2693 k = 0.0000 0.4430 0.3221 ( 1556 PWs) bands (ev): -5.8450 -5.8450 -5.4788 -5.4788 -5.1536 -5.1536 -4.8730 -4.8730 5.1111 5.1111 5.3199 5.3199 6.6836 6.6836 6.8861 6.8861 7.8017 7.8017 7.9225 7.9225 8.5733 8.5733 8.6002 8.6002 8.8813 8.8813 9.1780 9.1780 10.2052 10.2052 k = 0.0000 0.4334 0.3221 ( 1550 PWs) bands (ev): -5.9474 -5.9474 -5.4584 -5.4584 -5.1456 -5.1456 -4.7851 -4.7851 5.0549 5.0549 5.3630 5.3630 6.6482 6.6482 6.9462 6.9462 7.7351 7.7351 7.9027 7.9027 8.6210 8.6210 8.6473 8.6473 8.8001 8.8001 9.2380 9.2380 10.1483 10.1483 k = 0.0000 0.4238 0.3221 ( 1550 PWs) bands (ev): -6.0490 -6.0490 -5.4937 -5.4937 -5.0789 -5.0789 -4.6952 -4.6952 4.9987 4.9987 5.3996 5.3996 6.6215 6.6215 7.0082 7.0082 7.6626 7.6626 7.8680 7.8680 8.6855 8.6855 8.6963 8.6963 8.7233 8.7233 9.2871 9.2871 10.1019 10.1019 k = 0.0000 0.4141 0.3221 ( 1550 PWs) bands (ev): -6.1494 -6.1494 -5.5560 -5.5560 -4.9824 -4.9824 -4.6038 -4.6038 4.9428 4.9428 5.4283 5.4283 6.6052 6.6052 7.0715 7.0715 7.5867 7.5867 7.8234 7.8234 8.6308 8.6308 8.7617 8.7617 8.7648 8.7648 9.3214 9.3214 10.0704 10.0704 k = 0.0000 0.4045 0.3221 ( 1552 PWs) bands (ev): -6.2483 -6.2483 -5.6277 -5.6277 -4.8736 -4.8736 -4.5113 -4.5113 4.8877 4.8877 5.4478 5.4478 6.6007 6.6007 7.1354 7.1354 7.5090 7.5090 7.7725 7.7725 8.5464 8.5464 8.8280 8.8280 8.8460 8.8460 9.3370 9.3370 10.0576 10.0576 k = 0.0000 0.3949 0.3221 ( 1548 PWs) bands (ev): -6.3456 -6.3456 -5.7027 -5.7027 -4.7586 -4.7586 -4.4180 -4.4180 4.8339 4.8339 5.4573 5.4573 6.6088 6.6088 7.1994 7.1994 7.4308 7.4308 7.7177 7.7177 8.4609 8.4609 8.8939 8.8939 8.9361 8.9361 9.3324 9.3324 10.0656 10.0656 k = 0.0000 0.3852 0.3221 ( 1544 PWs) bands (ev): -6.4410 -6.4410 -5.7786 -5.7786 -4.6399 -4.6399 -4.3240 -4.3240 4.7814 4.7814 5.4565 5.4565 6.6298 6.6298 7.2622 7.2622 7.3530 7.3530 7.6605 7.6605 8.3749 8.3749 8.9613 8.9613 9.0302 9.0302 9.3092 9.3092 10.0930 10.0930 k = 0.0000 0.3756 0.3221 ( 1548 PWs) bands (ev): -6.5346 -6.5346 -5.8544 -5.8544 -4.5185 -4.5185 -4.2295 -4.2295 4.7307 4.7307 5.4459 5.4459 6.6630 6.6630 7.2714 7.2714 7.3280 7.3280 7.6021 7.6021 8.2886 8.2886 9.0297 9.0297 9.1273 9.1273 9.2718 9.2718 10.1361 10.1361 k = 0.0000 0.3660 0.3221 ( 1548 PWs) bands (ev): -6.6261 -6.6261 -5.9294 -5.9294 -4.3950 -4.3950 -4.1346 -4.1346 4.6819 4.6819 5.4267 5.4267 6.7074 6.7074 7.1956 7.1956 7.3868 7.3868 7.5431 7.5431 8.2020 8.2020 9.0983 9.0983 9.2222 9.2222 9.2297 9.2297 10.1906 10.1906 k = 0.0000 0.3563 0.3221 ( 1552 PWs) bands (ev): -6.7157 -6.7157 -6.0034 -6.0034 -4.2698 -4.2698 -4.0396 -4.0396 4.6352 4.6352 5.4001 5.4001 6.7616 6.7616 7.1195 7.1195 7.4435 7.4435 7.4845 7.4845 8.1154 8.1154 9.1565 9.1565 9.1835 9.1835 9.3283 9.3283 10.2528 10.2528 k = 0.0000 0.3467 0.3221 ( 1552 PWs) bands (ev): -6.8031 -6.8031 -6.0761 -6.0761 -4.1432 -4.1432 -3.9444 -3.9444 4.5908 4.5908 5.3677 5.3677 6.8241 6.8241 7.0445 7.0445 7.4245 7.4245 7.4982 7.4982 8.0289 8.0289 9.1142 9.1142 9.2405 9.2405 9.4309 9.4309 10.3203 10.3203 k = 0.0000 0.3371 0.3221 ( 1548 PWs) bands (ev): -6.8885 -6.8885 -6.1474 -6.1474 -4.0153 -4.0153 -3.8494 -3.8494 4.5489 4.5489 5.3307 5.3307 6.8934 6.8934 6.9709 6.9709 7.3663 7.3663 7.5467 7.5467 7.9427 7.9427 9.0608 9.0608 9.3094 9.3094 9.5346 9.5346 10.3913 10.3913 k = 0.0000 0.3275 0.3221 ( 1544 PWs) bands (ev): -6.9717 -6.9717 -6.2173 -6.2173 -3.8863 -3.8863 -3.7546 -3.7546 4.5096 4.5096 5.2903 5.2903 6.8986 6.8986 6.9680 6.9680 7.3088 7.3088 7.5888 7.5888 7.8571 7.8571 9.0100 9.0100 9.3784 9.3784 9.6392 9.6392 10.4644 10.4644 k = 0.0000 0.3178 0.3221 ( 1544 PWs) bands (ev): -7.0527 -7.0527 -6.2855 -6.2855 -3.7563 -3.7563 -3.6601 -3.6601 4.4730 4.4730 5.2474 5.2474 6.8280 6.8280 7.0464 7.0464 7.2520 7.2520 7.6229 7.6229 7.7728 7.7728 8.9644 8.9644 9.4470 9.4470 9.7442 9.7442 10.5389 10.5389 k = 0.0000 0.3082 0.3221 ( 1536 PWs) bands (ev): -7.1315 -7.1315 -6.3522 -6.3522 -3.6255 -3.6255 -3.5662 -3.5662 4.4392 4.4392 5.2029 5.2029 6.7591 6.7591 7.1266 7.1266 7.1967 7.1967 7.6469 7.6469 7.6911 7.6911 8.9262 8.9262 9.5150 9.5150 9.8497 9.8497 10.6143 10.6143 k = 0.0000 0.2986 0.3221 ( 1536 PWs) bands (ev): -7.2081 -7.2081 -6.4171 -6.4171 -3.4941 -3.4941 -3.4729 -3.4729 4.4085 4.4085 5.1574 5.1574 6.6919 6.6919 7.1404 7.1404 7.2072 7.2072 7.6126 7.6126 7.6616 7.6616 8.8971 8.8971 9.5821 9.5821 9.9552 9.9552 10.6899 10.6899 k = 0.0000 0.2889 0.3221 ( 1536 PWs) bands (ev): -7.2824 -7.2824 -6.4803 -6.4803 -3.3805 -3.3805 -3.3621 -3.3621 4.3808 4.3808 5.1113 5.1113 6.6264 6.6264 7.0873 7.0873 7.2744 7.2744 7.5505 7.5505 7.6620 7.6620 8.8787 8.8787 9.6483 9.6483 10.0606 10.0606 10.7655 10.7655 k = 0.0000 0.2793 0.3221 ( 1540 PWs) bands (ev): -7.3544 -7.3544 -6.5417 -6.5417 -3.2890 -3.2890 -3.2298 -3.2298 4.3564 4.3564 5.0651 5.0651 6.5628 6.5628 7.0350 7.0350 7.3013 7.3013 7.5314 7.5314 7.6497 7.6497 8.8716 8.8716 9.7134 9.7134 10.1658 10.1658 10.8407 10.8407 k = 0.0000 0.2697 0.3221 ( 1536 PWs) bands (ev): -7.4242 -7.4242 -6.6012 -6.6012 -3.1987 -3.1987 -3.0973 -3.0973 4.3352 4.3352 5.0191 5.0191 6.5011 6.5011 6.9841 6.9841 7.2652 7.2652 7.5773 7.5773 7.6250 7.6250 8.8757 8.8757 9.7774 9.7774 10.2706 10.2706 10.9155 10.9155 k = 0.0000 0.2600 0.3221 ( 1538 PWs) bands (ev): -7.4916 -7.4916 -6.6589 -6.6589 -3.1096 -3.1096 -2.9648 -2.9648 4.3175 4.3175 4.9735 4.9735 6.4413 6.4413 6.9345 6.9345 7.1970 7.1970 7.5858 7.5858 7.6599 7.6599 8.8899 8.8899 9.8400 9.8400 10.3747 10.3747 10.9895 10.9895 k = 0.0000 0.2504 0.3221 ( 1532 PWs) bands (ev): -7.5567 -7.5567 -6.7148 -6.7148 -3.0220 -3.0220 -2.8325 -2.8325 4.3034 4.3034 4.9286 4.9286 6.3835 6.3835 6.8864 6.8864 7.1188 7.1188 7.5382 7.5382 7.7524 7.7524 8.9129 8.9129 9.9013 9.9013 10.4780 10.4780 11.0628 11.0628 k = 0.0000 0.2408 0.3221 ( 1532 PWs) bands (ev): -7.6195 -7.6195 -6.7687 -6.7687 -2.9361 -2.9361 -2.7005 -2.7005 4.2928 4.2928 4.8845 4.8845 6.3277 6.3277 6.8397 6.8397 7.0368 7.0368 7.4811 7.4811 7.8507 7.8507 8.9431 8.9431 9.9611 9.9611 10.5803 10.5803 11.1350 11.1350 k = 0.0000 0.2311 0.3221 ( 1532 PWs) bands (ev): -7.6799 -7.6799 -6.8206 -6.8206 -2.8520 -2.8520 -2.5691 -2.5691 4.2860 4.2860 4.8415 4.8415 6.2739 6.2739 6.7946 6.7946 6.9533 6.9533 7.4164 7.4164 7.9523 7.9523 8.9789 8.9789 10.0192 10.0192 10.6813 10.6813 11.2061 11.2061 k = 0.0000 0.2215 0.3221 ( 1530 PWs) bands (ev): -7.7379 -7.7379 -6.8706 -6.8706 -2.7698 -2.7698 -2.4384 -2.4384 4.2829 4.2829 4.7995 4.7995 6.2221 6.2221 6.7511 6.7511 6.8694 6.8694 7.3456 7.3456 8.0560 8.0560 9.0187 9.0187 10.0755 10.0755 10.7808 10.7808 11.2759 11.2759 k = 0.0000 0.2119 0.3221 ( 1526 PWs) bands (ev): -7.7935 -7.7935 -6.9186 -6.9186 -2.6898 -2.6898 -2.3088 -2.3088 4.2837 4.2837 4.7588 4.7588 6.1724 6.1724 6.7092 6.7092 6.7855 6.7855 7.2698 7.2698 8.1613 8.1613 9.0615 9.0615 10.1300 10.1300 10.8786 10.8786 11.3442 11.3442 k = 0.0000 0.2023 0.3221 ( 1526 PWs) bands (ev): -7.8468 -7.8468 -6.9646 -6.9646 -2.6121 -2.6121 -2.1805 -2.1805 4.2884 4.2884 4.7195 4.7195 6.1247 6.1247 6.6686 6.6686 6.7021 6.7021 7.1899 7.1899 8.2679 8.2679 9.1059 9.1059 10.1827 10.1827 10.9744 10.9744 11.4108 11.4108 k = 0.0000 0.1926 0.3221 ( 1526 PWs) bands (ev): -7.8976 -7.8976 -7.0086 -7.0086 -2.5369 -2.5369 -2.0539 -2.0539 4.2971 4.2971 4.6815 4.6815 6.0792 6.0792 6.6172 6.6172 6.6319 6.6319 7.1069 7.1069 8.3753 8.3753 9.1512 9.1512 10.2333 10.2333 11.0681 11.0681 11.4755 11.4755 k = 0.0000 0.1830 0.3221 ( 1530 PWs) bands (ev): -7.9460 -7.9460 -7.0505 -7.0505 -2.4644 -2.4644 -1.9290 -1.9290 4.3098 4.3098 4.6450 4.6450 6.0358 6.0358 6.5358 6.5358 6.5941 6.5941 7.0213 7.0213 8.4835 8.4835 9.1968 9.1968 10.2820 10.2820 11.1592 11.1592 11.5370 11.5370 k = 0.0000 0.1734 0.3221 ( 1534 PWs) bands (ev): -7.9920 -7.9920 -7.0904 -7.0904 -2.3946 -2.3946 -1.8065 -1.8065 4.3265 4.3265 4.6100 4.6100 5.9945 5.9945 6.4545 6.4545 6.5588 6.5588 6.9335 6.9335 8.5922 8.5922 9.2420 9.2420 10.3284 10.3284 11.2475 11.2475 11.5825 11.5825 k = 0.0000 0.1637 0.3221 ( 1538 PWs) bands (ev): -8.0355 -8.0355 -7.1282 -7.1282 -2.3278 -2.3278 -1.6864 -1.6864 4.3472 4.3472 4.5767 4.5767 5.9554 5.9554 6.3745 6.3745 6.5255 6.5255 6.8442 6.8442 8.7013 8.7013 9.2863 9.2863 10.3727 10.3727 11.3325 11.3325 11.5733 11.5733 k = 0.0000 0.1541 0.3221 ( 1542 PWs) bands (ev): -8.0766 -8.0766 -7.1639 -7.1639 -2.2641 -2.2641 -1.5694 -1.5694 4.3720 4.3720 4.5450 4.5450 5.9184 5.9184 6.2960 6.2960 6.4939 6.4939 6.7536 6.7536 8.8106 8.8106 9.3295 9.3295 10.4148 10.4148 11.4124 11.4124 11.5501 11.5501 k = 0.0000 0.1445 0.3221 ( 1542 PWs) bands (ev): -8.1153 -8.1153 -7.1975 -7.1975 -2.2036 -2.2036 -1.4557 -1.4557 4.4005 4.4005 4.5153 4.5153 5.8836 5.8836 6.2193 6.2193 6.4641 6.4641 6.6621 6.6621 8.9199 8.9199 9.3713 9.3713 10.4545 10.4545 11.4750 11.4750 11.5347 11.5347 k = 0.0000 0.1348 0.3221 ( 1542 PWs) bands (ev): -8.1515 -8.1515 -7.2289 -7.2289 -2.1464 -2.1464 -1.3458 -1.3458 4.4320 4.4320 4.4884 4.4884 5.8510 5.8510 6.1447 6.1447 6.4360 6.4360 6.5700 6.5700 9.0292 9.0292 9.4113 9.4113 10.4920 10.4920 11.4661 11.4661 11.5820 11.5820 k = 0.0000 0.1252 0.3221 ( 1542 PWs) bands (ev): -8.1852 -8.1852 -7.2583 -7.2583 -2.0928 -2.0928 -1.2401 -1.2401 4.4509 4.4509 4.4797 4.4797 5.8206 5.8206 6.0726 6.0726 6.4094 6.4094 6.4779 6.4779 9.1383 9.1383 9.4493 9.4493 10.5269 10.5269 11.4279 11.4279 11.6499 11.6499 k = 0.0000 0.1156 0.3221 ( 1542 PWs) bands (ev): -8.2164 -8.2164 -7.2855 -7.2855 -2.0427 -2.0427 -1.1392 -1.1392 4.4316 4.4316 4.5150 4.5150 5.7923 5.7923 6.0034 6.0034 6.3763 6.3763 6.3939 6.3939 9.2470 9.2470 9.4850 9.4850 10.5595 10.5595 11.3825 11.3825 11.7163 11.7163 k = 0.0000 0.1059 0.3221 ( 1542 PWs) bands (ev): -8.2452 -8.2452 -7.3106 -7.3106 -1.9963 -1.9963 -1.0435 -1.0435 4.4092 4.4092 4.5589 4.5589 5.7663 5.7663 5.9374 5.9374 6.2899 6.2899 6.3652 6.3652 9.3551 9.3551 9.5184 9.5184 10.5895 10.5895 11.3318 11.3318 11.7789 11.7789 k = 0.0000 0.0963 0.3221 ( 1538 PWs) bands (ev): -8.2714 -8.2714 -7.3335 -7.3335 -1.9537 -1.9537 -0.9536 -0.9536 4.3882 4.3882 4.6071 4.6071 5.7424 5.7424 5.8751 5.8751 6.1977 6.1977 6.3443 6.3443 9.4625 9.4625 9.5494 9.5494 10.6172 10.6172 11.2767 11.2767 11.8371 11.8371 k = 0.0000 0.0867 0.3221 ( 1538 PWs) bands (ev): -8.2952 -8.2952 -7.3543 -7.3543 -1.9150 -1.9150 -0.8700 -0.8700 4.3688 4.3688 4.6590 4.6590 5.7207 5.7207 5.8169 5.8169 6.1058 6.1058 6.3257 6.3257 9.5682 9.5682 9.5784 9.5784 10.6421 10.6421 11.2173 11.2173 11.8904 11.8904 k = 0.0000 0.0770 0.3221 ( 1532 PWs) bands (ev): -8.3165 -8.3165 -7.3729 -7.3729 -1.8801 -1.8801 -0.7933 -0.7933 4.3513 4.3513 4.7144 4.7144 5.7010 5.7010 5.7634 5.7634 6.0145 6.0145 6.3090 6.3090 9.6029 9.6029 9.6746 9.6746 10.6645 10.6645 11.1541 11.1541 11.9386 11.9386 k = 0.0000 0.0674 0.3221 ( 1532 PWs) bands (ev): -8.3353 -8.3353 -7.3893 -7.3893 -1.8493 -1.8493 -0.7241 -0.7241 4.3357 4.3357 4.7729 4.7729 5.6830 5.6830 5.7153 5.7153 5.9244 5.9244 6.2944 6.2944 9.6257 9.6257 9.7785 9.7785 10.6843 10.6843 11.0872 11.0872 11.9815 11.9815 k = 0.0000 0.0578 0.3221 ( 1536 PWs) bands (ev): -8.3516 -8.3516 -7.4036 -7.4036 -1.8224 -1.8224 -0.6627 -0.6627 4.3220 4.3220 4.8343 4.8343 5.6636 5.6636 5.6759 5.6759 5.8360 5.8360 6.2816 6.2816 9.6455 9.6455 9.8807 9.8807 10.7014 10.7014 11.0171 11.0171 12.0189 12.0189 k = 0.0000 0.0482 0.3221 ( 1538 PWs) bands (ev): -8.3654 -8.3654 -7.4156 -7.4156 -1.7996 -1.7996 -0.6098 -0.6098 4.3104 4.3104 4.8980 4.8980 5.6317 5.6317 5.6557 5.6557 5.7509 5.7509 6.2709 6.2709 9.6624 9.6624 9.9806 9.9806 10.7158 10.7158 10.9444 10.9444 12.0506 12.0506 k = 0.0000 0.0385 0.3221 ( 1538 PWs) bands (ev): -8.3767 -8.3767 -7.4255 -7.4255 -1.7810 -1.7810 -0.5658 -0.5658 4.3008 4.3008 4.9634 4.9634 5.6011 5.6011 5.6336 5.6336 5.6774 5.6774 6.2620 6.2620 9.6762 9.6762 10.0775 10.0775 10.7272 10.7272 10.8701 10.8701 12.0767 12.0767 k = 0.0000 0.0289 0.3221 ( 1538 PWs) bands (ev): -8.3855 -8.3855 -7.4332 -7.4332 -1.7664 -1.7664 -0.5312 -0.5312 4.2933 4.2933 5.0291 5.0291 5.5735 5.5735 5.5771 5.5771 5.6483 5.6483 6.2552 6.2552 9.6870 9.6870 10.1697 10.1697 10.7344 10.7344 10.7970 10.7970 12.0969 12.0969 k = 0.0000 0.0193 0.3221 ( 1538 PWs) bands (ev): -8.3918 -8.3918 -7.4387 -7.4387 -1.7560 -1.7560 -0.5062 -0.5062 4.2879 4.2879 5.0919 5.0919 5.5034 5.5034 5.5590 5.5590 5.6394 5.6394 6.2503 6.2503 9.6947 9.6947 10.2541 10.2541 10.7141 10.7141 10.7517 10.7517 12.1114 12.1114 k = 0.0000 0.0096 0.3221 ( 1538 PWs) bands (ev): -8.3955 -8.3955 -7.4420 -7.4420 -1.7498 -1.7498 -0.4911 -0.4911 4.2846 4.2846 5.1441 5.1441 5.4457 5.4457 5.5483 5.5483 5.6351 5.6351 6.2473 6.2473 9.6994 9.6994 10.3218 10.3218 10.6583 10.6583 10.7512 10.7512 12.1201 12.1201 k = 0.0000 0.0000 0.3221 ( 1538 PWs) bands (ev): -8.3968 -8.3968 -7.4430 -7.4430 -1.7477 -1.7477 -0.4860 -0.4860 4.2835 4.2835 5.1668 5.1668 5.4211 5.4211 5.5447 5.5447 5.6337 5.6337 6.2463 6.2463 9.7009 9.7009 10.3507 10.3507 10.6324 10.6324 10.7520 10.7520 12.1230 12.1230 k = 0.0000 0.4623-0.0000 ( 1518 PWs) bands (ev): -6.6445 -6.6445 -6.6445 -6.6445 -3.0079 -3.0079 -3.0079 -3.0079 1.8013 1.8013 1.8013 1.8013 7.2899 7.2899 7.2899 7.2899 7.6775 7.6775 7.6775 7.6775 9.4323 9.4323 9.4323 9.4323 10.1098 10.1098 10.1098 10.1098 12.3937 12.3937 k = 0.0000 0.4623 0.0095 ( 1526 PWs) bands (ev): -6.6434 -6.6434 -6.6434 -6.6434 -3.0122 -3.0122 -3.0122 -3.0122 1.8073 1.8073 1.8073 1.8073 7.2907 7.2907 7.2907 7.2907 7.6777 7.6777 7.6777 7.6777 9.4308 9.4308 9.4308 9.4308 10.1076 10.1076 10.1076 10.1076 12.3884 12.3884 k = 0.0000 0.4623 0.0189 ( 1530 PWs) bands (ev): -6.6400 -6.6400 -6.6400 -6.6400 -3.0248 -3.0248 -3.0248 -3.0248 1.8252 1.8252 1.8252 1.8252 7.2930 7.2930 7.2930 7.2930 7.6783 7.6783 7.6783 7.6783 9.4266 9.4266 9.4266 9.4266 10.1012 10.1012 10.1012 10.1012 12.3729 12.3729 k = 0.0000 0.4623 0.0284 ( 1526 PWs) bands (ev): -6.6345 -6.6345 -6.6345 -6.6345 -3.0456 -3.0456 -3.0456 -3.0456 1.8548 1.8548 1.8548 1.8548 7.2969 7.2969 7.2969 7.2969 7.6794 7.6794 7.6794 7.6794 9.4195 9.4195 9.4195 9.4195 10.0908 10.0908 10.0908 10.0908 12.3473 12.3473 k = 0.0000 0.4623 0.0379 ( 1528 PWs) bands (ev): -6.6267 -6.6267 -6.6267 -6.6267 -3.0743 -3.0743 -3.0743 -3.0743 1.8959 1.8959 1.8959 1.8959 7.3024 7.3024 7.3024 7.3024 7.6807 7.6807 7.6807 7.6807 9.4097 9.4097 9.4097 9.4097 10.0761 10.0761 10.0761 10.0761 12.3120 12.3120 k = 0.0000 0.4623 0.0474 ( 1528 PWs) bands (ev): -6.6167 -6.6167 -6.6167 -6.6167 -3.1104 -3.1104 -3.1104 -3.1104 1.9478 1.9478 1.9478 1.9478 7.3095 7.3095 7.3095 7.3095 7.6824 7.6824 7.6824 7.6824 9.3971 9.3971 9.3971 9.3971 10.0573 10.0573 10.0573 10.0573 12.2673 12.2673 k = 0.0000 0.4623 0.0568 ( 1526 PWs) bands (ev): -6.6045 -6.6045 -6.6045 -6.6045 -3.1535 -3.1535 -3.1535 -3.1535 2.0101 2.0101 2.0101 2.0101 7.3182 7.3182 7.3182 7.3182 7.6842 7.6842 7.6842 7.6842 9.3819 9.3819 9.3819 9.3819 10.0345 10.0345 10.0345 10.0345 12.2139 12.2139 k = 0.0000 0.4623 0.0663 ( 1528 PWs) bands (ev): -6.5902 -6.5902 -6.5902 -6.5902 -3.2029 -3.2029 -3.2029 -3.2029 2.0823 2.0823 2.0823 2.0823 7.3283 7.3283 7.3283 7.3283 7.6860 7.6860 7.6860 7.6860 9.3641 9.3641 9.3641 9.3641 10.0078 10.0078 10.0078 10.0078 12.1523 12.1523 k = 0.0000 0.4623 0.0758 ( 1528 PWs) bands (ev): -6.5736 -6.5736 -6.5736 -6.5736 -3.2580 -3.2580 -3.2580 -3.2580 2.1636 2.1636 2.1636 2.1636 7.3400 7.3400 7.3400 7.3400 7.6877 7.6877 7.6877 7.6877 9.3439 9.3439 9.3439 9.3439 9.9771 9.9771 9.9771 9.9771 12.0834 12.0834 k = 0.0000 0.4623 0.0853 ( 1526 PWs) bands (ev): -6.5548 -6.5548 -6.5548 -6.5548 -3.3183 -3.3183 -3.3183 -3.3183 2.2534 2.2534 2.2534 2.2534 7.3531 7.3531 7.3531 7.3531 7.6892 7.6892 7.6892 7.6892 9.3212 9.3212 9.3212 9.3212 9.9428 9.9428 9.9428 9.9428 12.0079 12.0079 k = 0.0000 0.4623 0.0947 ( 1526 PWs) bands (ev): -6.5339 -6.5339 -6.5339 -6.5339 -3.3832 -3.3832 -3.3832 -3.3832 2.3510 2.3510 2.3510 2.3510 7.3678 7.3678 7.3678 7.3678 7.6902 7.6902 7.6902 7.6902 9.2963 9.2963 9.2963 9.2963 9.9048 9.9048 9.9048 9.9048 11.9267 11.9267 k = 0.0000 0.4623 0.1042 ( 1534 PWs) bands (ev): -6.5108 -6.5108 -6.5108 -6.5108 -3.4520 -3.4520 -3.4520 -3.4520 2.4557 2.4557 2.4557 2.4557 7.3838 7.3838 7.3838 7.3838 7.6903 7.6903 7.6903 7.6903 9.2692 9.2692 9.2692 9.2692 9.8634 9.8634 9.8634 9.8634 11.8406 11.8406 k = 0.0000 0.4623 0.1137 ( 1534 PWs) bands (ev): -6.4856 -6.4856 -6.4856 -6.4856 -3.5241 -3.5241 -3.5241 -3.5241 2.5671 2.5671 2.5671 2.5671 7.4013 7.4013 7.4013 7.4013 7.6894 7.6894 7.6894 7.6894 9.2401 9.2401 9.2401 9.2401 9.8188 9.8188 9.8188 9.8188 11.7506 11.7506 k = 0.0000 0.4623 0.1232 ( 1542 PWs) bands (ev): -6.4583 -6.4583 -6.4583 -6.4583 -3.5991 -3.5991 -3.5991 -3.5991 2.6844 2.6844 2.6844 2.6844 7.4201 7.4201 7.4201 7.4201 7.6869 7.6869 7.6869 7.6869 9.2092 9.2092 9.2092 9.2092 9.7711 9.7711 9.7711 9.7711 11.6576 11.6576 k = 0.0000 0.4623 0.1326 ( 1538 PWs) bands (ev): -6.4289 -6.4289 -6.4289 -6.4289 -3.6764 -3.6764 -3.6764 -3.6764 2.8070 2.8070 2.8070 2.8070 7.4403 7.4403 7.4403 7.4403 7.6826 7.6826 7.6826 7.6826 9.1767 9.1767 9.1767 9.1767 9.7210 9.7210 9.7210 9.7210 11.5626 11.5626 k = 0.0000 0.4623 0.1421 ( 1540 PWs) bands (ev): -6.3975 -6.3975 -6.3975 -6.3975 -3.7556 -3.7556 -3.7556 -3.7556 2.9344 2.9344 2.9344 2.9344 7.4616 7.4616 7.4616 7.4616 7.6759 7.6759 7.6759 7.6759 9.1425 9.1425 9.1425 9.1425 9.6685 9.6685 9.6685 9.6685 11.4667 11.4667 k = 0.0000 0.4623 0.1516 ( 1544 PWs) bands (ev): -6.3640 -6.3640 -6.3640 -6.3640 -3.8363 -3.8363 -3.8363 -3.8363 3.0660 3.0660 3.0660 3.0660 7.4840 7.4840 7.4840 7.4840 7.6662 7.6662 7.6662 7.6662 9.1070 9.1070 9.1070 9.1070 9.6143 9.6143 9.6143 9.6143 11.3706 11.3706 k = 0.0000 0.4623 0.1611 ( 1552 PWs) bands (ev): -6.3286 -6.3286 -6.3286 -6.3286 -3.9180 -3.9180 -3.9180 -3.9180 3.2013 3.2013 3.2013 3.2013 7.5075 7.5075 7.5075 7.5075 7.6530 7.6530 7.6530 7.6530 9.0703 9.0703 9.0703 9.0703 9.5589 9.5589 9.5589 9.5589 11.2752 11.2752 k = 0.0000 0.4623 0.1705 ( 1552 PWs) bands (ev): -6.2912 -6.2912 -6.2912 -6.2912 -4.0003 -4.0003 -4.0003 -4.0003 3.3397 3.3397 3.3397 3.3397 7.5318 7.5318 7.5318 7.5318 7.6358 7.6358 7.6358 7.6358 9.0326 9.0326 9.0326 9.0326 9.5030 9.5030 9.5030 9.5030 11.1815 11.1815 k = 0.0000 0.4623 0.1800 ( 1548 PWs) bands (ev): -6.2519 -6.2519 -6.2519 -6.2519 -4.0830 -4.0830 -4.0830 -4.0830 3.4808 3.4808 3.4808 3.4808 7.5557 7.5557 7.5557 7.5557 7.6149 7.6149 7.6149 7.6149 8.9941 8.9941 8.9941 8.9941 9.4475 9.4475 9.4475 9.4475 11.0902 11.0902 k = 0.0000 0.4623 0.1895 ( 1548 PWs) bands (ev): -6.2109 -6.2109 -6.2109 -6.2109 -4.1657 -4.1657 -4.1657 -4.1657 3.6240 3.6240 3.6240 3.6240 7.5685 7.5685 7.5685 7.5685 7.6000 7.6000 7.6000 7.6000 8.9550 8.9550 8.9550 8.9550 9.3930 9.3930 9.3930 9.3930 11.0020 11.0020 k = 0.0000 0.4623 0.1990 ( 1544 PWs) bands (ev): -6.1681 -6.1681 -6.1681 -6.1681 -4.2481 -4.2481 -4.2481 -4.2481 3.7686 3.7686 3.7686 3.7686 7.5428 7.5428 7.5428 7.5428 7.6179 7.6179 7.6179 7.6179 8.9156 8.9156 8.9156 8.9156 9.3406 9.3406 9.3406 9.3406 10.9175 10.9175 k = 0.0000 0.4623 0.2084 ( 1548 PWs) bands (ev): -6.1237 -6.1237 -6.1237 -6.1237 -4.3298 -4.3298 -4.3298 -4.3298 3.9141 3.9141 3.9141 3.9141 7.5018 7.5018 7.5018 7.5018 7.6444 7.6444 7.6444 7.6444 8.8760 8.8760 8.8760 8.8760 9.2912 9.2912 9.2912 9.2912 10.8373 10.8373 k = 0.0000 0.4623 0.2179 ( 1548 PWs) bands (ev): -6.0779 -6.0779 -6.0779 -6.0779 -4.4106 -4.4106 -4.4106 -4.4106 4.0598 4.0598 4.0598 4.0598 7.4523 7.4523 7.4523 7.4523 7.6723 7.6723 7.6723 7.6723 8.8365 8.8365 8.8365 8.8365 9.2455 9.2455 9.2455 9.2455 10.7620 10.7620 k = 0.0000 0.4623 0.2274 ( 1548 PWs) bands (ev): -6.0308 -6.0308 -6.0308 -6.0308 -4.4901 -4.4901 -4.4901 -4.4901 4.2049 4.2049 4.2049 4.2049 7.3949 7.3949 7.3949 7.3949 7.7008 7.7008 7.7008 7.7008 8.7975 8.7975 8.7975 8.7975 9.2042 9.2042 9.2042 9.2042 10.6918 10.6918 k = 0.0000 0.4623 0.2369 ( 1548 PWs) bands (ev): -5.9827 -5.9827 -5.9827 -5.9827 -4.5679 -4.5679 -4.5679 -4.5679 4.3485 4.3485 4.3485 4.3485 7.3302 7.3302 7.3302 7.3302 7.7294 7.7294 7.7294 7.7294 8.7593 8.7593 8.7593 8.7593 9.1678 9.1678 9.1678 9.1678 10.6271 10.6271 k = 0.0000 0.4623 0.2463 ( 1548 PWs) bands (ev): -5.9338 -5.9338 -5.9338 -5.9338 -4.6436 -4.6436 -4.6436 -4.6436 4.4893 4.4893 4.4893 4.4893 7.2590 7.2590 7.2590 7.2590 7.7576 7.7576 7.7576 7.7576 8.7223 8.7223 8.7223 8.7223 9.1365 9.1365 9.1365 9.1365 10.5684 10.5684 k = 0.0000 0.4623 0.2558 ( 1552 PWs) bands (ev): -5.8847 -5.8847 -5.8847 -5.8847 -4.7166 -4.7166 -4.7166 -4.7166 4.6260 4.6260 4.6260 4.6260 7.1827 7.1827 7.1827 7.1827 7.7850 7.7850 7.7850 7.7850 8.6870 8.6870 8.6870 8.6870 9.1101 9.1101 9.1101 9.1101 10.5157 10.5157 k = 0.0000 0.4623 0.2653 ( 1548 PWs) bands (ev): -5.8361 -5.8361 -5.8361 -5.8361 -4.7861 -4.7861 -4.7861 -4.7861 4.7567 4.7567 4.7567 4.7567 7.1035 7.1035 7.1035 7.1035 7.8111 7.8111 7.8111 7.8111 8.6539 8.6539 8.6539 8.6539 9.0887 9.0887 9.0887 9.0887 10.4696 10.4696 k = 0.0000 0.4623 0.2748 ( 1552 PWs) bands (ev): -5.7887 -5.7887 -5.7887 -5.7887 -4.8513 -4.8513 -4.8513 -4.8513 4.8788 4.8788 4.8788 4.8788 7.0239 7.0239 7.0239 7.0239 7.8354 7.8354 7.8354 7.8354 8.6238 8.6238 8.6238 8.6238 9.0716 9.0716 9.0716 9.0716 10.4300 10.4300 k = 0.0000 0.4623 0.2842 ( 1552 PWs) bands (ev): -5.7441 -5.7441 -5.7441 -5.7441 -4.9105 -4.9105 -4.9105 -4.9105 4.9892 4.9892 4.9892 4.9892 6.9477 6.9477 6.9477 6.9477 7.8569 7.8569 7.8569 7.8569 8.5972 8.5972 8.5972 8.5972 9.0585 9.0585 9.0585 9.0585 10.3972 10.3972 k = 0.0000 0.4623 0.2937 ( 1552 PWs) bands (ev): -5.7043 -5.7043 -5.7043 -5.7043 -4.9618 -4.9618 -4.9618 -4.9618 5.0837 5.0837 5.0837 5.0837 6.8793 6.8793 6.8793 6.8793 7.8751 7.8751 7.8751 7.8751 8.5753 8.5753 8.5753 8.5753 9.0489 9.0489 9.0489 9.0489 10.3716 10.3716 k = 0.0000 0.4623 0.3032 ( 1556 PWs) bands (ev): -5.6719 -5.6719 -5.6719 -5.6719 -5.0024 -5.0024 -5.0024 -5.0024 5.1571 5.1571 5.1571 5.1571 6.8242 6.8242 6.8242 6.8242 7.8888 7.8888 7.8888 7.8888 8.5587 8.5587 8.5587 8.5587 9.0424 9.0424 9.0424 9.0424 10.3531 10.3531 k = 0.0000 0.4623 0.3127 ( 1560 PWs) bands (ev): -5.6504 -5.6504 -5.6504 -5.6504 -5.0288 -5.0288 -5.0288 -5.0288 5.2042 5.2042 5.2042 5.2042 6.7880 6.7880 6.7880 6.7880 7.8974 7.8974 7.8974 7.8974 8.5484 8.5484 8.5484 8.5484 9.0386 9.0386 9.0386 9.0386 10.3419 10.3419 k = 0.0000 0.4623 0.3221 ( 1560 PWs) bands (ev): -5.6428 -5.6428 -5.6428 -5.6428 -5.0381 -5.0381 -5.0381 -5.0381 5.2205 5.2205 5.2205 5.2205 6.7754 6.7754 6.7754 6.7754 7.9004 7.9004 7.9004 7.9004 8.5449 8.5449 8.5449 8.5449 9.0374 9.0374 9.0374 9.0374 10.3382 10.3382 k = 0.5000-0.0000 0.3221 ( 1572 PWs) bands (ev): -5.3009 -5.3009 -5.3009 -5.3009 -4.6656 -4.6656 -4.6656 -4.6656 5.1420 5.1420 5.1420 5.1420 6.7773 6.7773 6.7773 6.7773 7.2445 7.2445 7.2445 7.2445 7.8363 7.8363 7.8363 7.8363 8.3624 8.3624 8.3624 8.3624 9.7756 9.7756 k = 0.5000-0.0000 0.3127 ( 1568 PWs) bands (ev): -5.3081 -5.3081 -5.3081 -5.3081 -4.6569 -4.6569 -4.6569 -4.6569 5.1307 5.1307 5.1307 5.1307 6.7809 6.7809 6.7809 6.7809 7.2407 7.2407 7.2407 7.2407 7.8407 7.8407 7.8407 7.8407 8.3658 8.3658 8.3658 8.3658 9.7814 9.7814 k = 0.5000-0.0000 0.3032 ( 1564 PWs) bands (ev): -5.3283 -5.3283 -5.3283 -5.3283 -4.6318 -4.6318 -4.6318 -4.6318 5.0976 5.0976 5.0976 5.0976 6.7911 6.7911 6.7911 6.7911 7.2298 7.2298 7.2298 7.2298 7.8536 7.8536 7.8536 7.8536 8.3759 8.3759 8.3759 8.3759 9.7984 9.7984 k = 0.5000-0.0000 0.2937 ( 1566 PWs) bands (ev): -5.3589 -5.3589 -5.3589 -5.3589 -4.5930 -4.5930 -4.5930 -4.5930 5.0444 5.0444 5.0444 5.0444 6.8063 6.8063 6.8063 6.8063 7.2126 7.2126 7.2126 7.2126 7.8741 7.8741 7.8741 7.8741 8.3926 8.3926 8.3926 8.3926 9.8267 9.8267 k = 0.5000-0.0000 0.2842 ( 1562 PWs) bands (ev): -5.3970 -5.3970 -5.3970 -5.3970 -4.5435 -4.5435 -4.5435 -4.5435 4.9734 4.9734 4.9734 4.9734 6.8245 6.8245 6.8245 6.8245 7.1905 7.1905 7.1905 7.1905 7.9009 7.9009 7.9009 7.9009 8.4158 8.4158 8.4158 8.4158 9.8660 9.8660 k = 0.5000-0.0000 0.2748 ( 1558 PWs) bands (ev): -5.4400 -5.4400 -5.4400 -5.4400 -4.4860 -4.4860 -4.4860 -4.4860 4.8876 4.8876 4.8876 4.8876 6.8437 6.8437 6.8437 6.8437 7.1645 7.1645 7.1645 7.1645 7.9328 7.9328 7.9328 7.9328 8.4450 8.4450 8.4450 8.4450 9.9160 9.9160 k = 0.5000-0.0000 0.2653 ( 1558 PWs) bands (ev): -5.4858 -5.4858 -5.4858 -5.4858 -4.4226 -4.4226 -4.4226 -4.4226 4.7894 4.7894 4.7894 4.7894 6.8620 6.8620 6.8620 6.8620 7.1358 7.1358 7.1358 7.1358 7.9687 7.9687 7.9687 7.9687 8.4797 8.4797 8.4797 8.4797 9.9761 9.9761 k = 0.5000-0.0000 0.2558 ( 1554 PWs) bands (ev): -5.5332 -5.5332 -5.5332 -5.5332 -4.3545 -4.3545 -4.3545 -4.3545 4.6813 4.6813 4.6813 4.6813 6.8780 6.8780 6.8780 6.8780 7.1053 7.1053 7.1053 7.1053 8.0075 8.0075 8.0075 8.0075 8.5193 8.5193 8.5193 8.5193 10.0458 10.0458 k = 0.5000-0.0000 0.2463 ( 1542 PWs) bands (ev): -5.5811 -5.5811 -5.5811 -5.5811 -4.2828 -4.2828 -4.2828 -4.2828 4.5655 4.5655 4.5655 4.5655 6.8908 6.8908 6.8908 6.8908 7.0739 7.0739 7.0739 7.0739 8.0486 8.0486 8.0486 8.0486 8.5632 8.5632 8.5632 8.5632 10.1246 10.1246 k = 0.5000-0.0000 0.2369 ( 1538 PWs) bands (ev): -5.6289 -5.6289 -5.6289 -5.6289 -4.2084 -4.2084 -4.2084 -4.2084 4.4436 4.4436 4.4436 4.4436 6.8999 6.8999 6.8999 6.8999 7.0419 7.0419 7.0419 7.0419 8.0914 8.0914 8.0914 8.0914 8.6104 8.6104 8.6104 8.6104 10.2116 10.2116 k = 0.5000-0.0000 0.2274 ( 1544 PWs) bands (ev): -5.6761 -5.6761 -5.6761 -5.6761 -4.1317 -4.1317 -4.1317 -4.1317 4.3172 4.3172 4.3172 4.3172 6.9052 6.9052 6.9052 6.9052 7.0099 7.0099 7.0099 7.0099 8.1352 8.1352 8.1352 8.1352 8.6603 8.6603 8.6603 8.6603 10.3060 10.3060 k = 0.5000-0.0000 0.2179 ( 1546 PWs) bands (ev): -5.7224 -5.7224 -5.7224 -5.7224 -4.0533 -4.0533 -4.0533 -4.0533 4.1875 4.1875 4.1875 4.1875 6.9064 6.9064 6.9064 6.9064 6.9788 6.9788 6.9788 6.9788 8.1798 8.1798 8.1798 8.1798 8.7121 8.7121 8.7121 8.7121 10.4069 10.4069 k = 0.5000-0.0000 0.2084 ( 1546 PWs) bands (ev): -5.7675 -5.7675 -5.7675 -5.7675 -3.9735 -3.9735 -3.9735 -3.9735 4.0557 4.0557 4.0557 4.0557 6.9030 6.9030 6.9030 6.9030 6.9497 6.9497 6.9497 6.9497 8.2247 8.2247 8.2247 8.2247 8.7651 8.7651 8.7651 8.7651 10.5134 10.5134 k = 0.5000-0.0000 0.1990 ( 1550 PWs) bands (ev): -5.8112 -5.8112 -5.8112 -5.8112 -3.8928 -3.8928 -3.8928 -3.8928 3.9227 3.9227 3.9227 3.9227 6.8923 6.8923 6.8923 6.8923 6.9257 6.9257 6.9257 6.9257 8.2696 8.2696 8.2696 8.2696 8.8186 8.8186 8.8186 8.8186 10.6244 10.6244 k = 0.5000-0.0000 0.1895 ( 1554 PWs) bands (ev): -5.8534 -5.8534 -5.8534 -5.8534 -3.8113 -3.8113 -3.8113 -3.8113 3.7894 3.7894 3.7894 3.7894 6.8716 6.8716 6.8716 6.8716 6.9103 6.9103 6.9103 6.9103 8.3143 8.3143 8.3143 8.3143 8.8723 8.8723 8.8723 8.8723 10.7391 10.7391 k = 0.5000-0.0000 0.1800 ( 1558 PWs) bands (ev): -5.8939 -5.8939 -5.8939 -5.8939 -3.7295 -3.7295 -3.7295 -3.7295 3.6563 3.6563 3.6563 3.6563 6.8456 6.8456 6.8456 6.8456 6.8993 6.8993 6.8993 6.8993 8.3585 8.3585 8.3585 8.3585 8.9256 8.9256 8.9256 8.9256 10.8563 10.8563 k = 0.5000-0.0000 0.1705 ( 1558 PWs) bands (ev): -5.9327 -5.9327 -5.9327 -5.9327 -3.6477 -3.6477 -3.6477 -3.6477 3.5244 3.5244 3.5244 3.5244 6.8186 6.8186 6.8186 6.8186 6.8889 6.8889 6.8889 6.8889 8.4020 8.4020 8.4020 8.4020 8.9782 8.9782 8.9782 8.9782 10.9752 10.9752 k = 0.5000-0.0000 0.1611 ( 1558 PWs) bands (ev): -5.9696 -5.9696 -5.9696 -5.9696 -3.5661 -3.5661 -3.5661 -3.5661 3.3942 3.3942 3.3942 3.3942 6.7921 6.7921 6.7921 6.7921 6.8781 6.8781 6.8781 6.8781 8.4446 8.4446 8.4446 8.4446 9.0297 9.0297 9.0297 9.0297 11.0946 11.0946 k = 0.5000-0.0000 0.1516 ( 1560 PWs) bands (ev): -6.0046 -6.0046 -6.0046 -6.0046 -3.4852 -3.4852 -3.4852 -3.4852 3.2664 3.2664 3.2664 3.2664 6.7664 6.7664 6.7664 6.7664 6.8669 6.8669 6.8669 6.8669 8.4861 8.4861 8.4861 8.4861 9.0798 9.0798 9.0798 9.0798 11.2137 11.2137 k = 0.5000-0.0000 0.1421 ( 1564 PWs) bands (ev): -6.0377 -6.0377 -6.0377 -6.0377 -3.4054 -3.4054 -3.4054 -3.4054 3.1415 3.1415 3.1415 3.1415 6.7420 6.7420 6.7420 6.7420 6.8554 6.8554 6.8554 6.8554 8.5262 8.5262 8.5262 8.5262 9.1283 9.1283 9.1283 9.1283 11.3314 11.3314 k = 0.5000-0.0000 0.1326 ( 1564 PWs) bands (ev): -6.0688 -6.0688 -6.0688 -6.0688 -3.3269 -3.3269 -3.3269 -3.3269 3.0202 3.0202 3.0202 3.0202 6.7188 6.7188 6.7188 6.7188 6.8437 6.8437 6.8437 6.8437 8.5648 8.5648 8.5648 8.5648 9.1749 9.1749 9.1749 9.1749 11.4469 11.4469 k = 0.5000-0.0000 0.1232 ( 1564 PWs) bands (ev): -6.0979 -6.0979 -6.0979 -6.0979 -3.2502 -3.2502 -3.2502 -3.2502 2.9031 2.9031 2.9031 2.9031 6.6970 6.6970 6.6970 6.6970 6.8321 6.8321 6.8321 6.8321 8.6016 8.6016 8.6016 8.6016 9.2195 9.2195 9.2195 9.2195 11.5592 11.5592 k = 0.5000-0.0000 0.1137 ( 1564 PWs) bands (ev): -6.1249 -6.1249 -6.1249 -6.1249 -3.1759 -3.1759 -3.1759 -3.1759 2.7908 2.7908 2.7908 2.7908 6.6766 6.6766 6.6766 6.6766 6.8208 6.8208 6.8208 6.8208 8.6366 8.6366 8.6366 8.6366 9.2617 9.2617 9.2617 9.2617 11.6675 11.6675 k = 0.5000-0.0000 0.1042 ( 1564 PWs) bands (ev): -6.1498 -6.1498 -6.1498 -6.1498 -3.1044 -3.1044 -3.1044 -3.1044 2.6839 2.6839 2.6839 2.6839 6.6577 6.6577 6.6577 6.6577 6.8099 6.8099 6.8099 6.8099 8.6694 8.6694 8.6694 8.6694 9.3014 9.3014 9.3014 9.3014 11.7709 11.7709 k = 0.5000-0.0000 0.0947 ( 1564 PWs) bands (ev): -6.1727 -6.1727 -6.1727 -6.1727 -3.0362 -3.0362 -3.0362 -3.0362 2.5830 2.5830 2.5830 2.5830 6.6403 6.6403 6.6403 6.6403 6.7996 6.7996 6.7996 6.7996 8.7001 8.7001 8.7001 8.7001 9.3385 9.3385 9.3385 9.3385 11.8686 11.8686 k = 0.5000-0.0000 0.0853 ( 1564 PWs) bands (ev): -6.1934 -6.1934 -6.1934 -6.1934 -2.9719 -2.9719 -2.9719 -2.9719 2.4889 2.4889 2.4889 2.4889 6.6245 6.6245 6.6245 6.6245 6.7899 6.7899 6.7899 6.7899 8.7283 8.7283 8.7283 8.7283 9.3726 9.3726 9.3726 9.3726 11.9598 11.9598 k = 0.5000-0.0000 0.0758 ( 1558 PWs) bands (ev): -6.2119 -6.2119 -6.2119 -6.2119 -2.9121 -2.9121 -2.9121 -2.9121 2.4022 2.4022 2.4022 2.4022 6.6104 6.6104 6.6104 6.6104 6.7809 6.7809 6.7809 6.7809 8.7540 8.7540 8.7540 8.7540 9.4038 9.4038 9.4038 9.4038 12.0437 12.0437 k = 0.5000-0.0000 0.0663 ( 1554 PWs) bands (ev): -6.2283 -6.2283 -6.2283 -6.2283 -2.8574 -2.8574 -2.8574 -2.8574 2.3236 2.3236 2.3236 2.3236 6.5978 6.5978 6.5978 6.5978 6.7729 6.7729 6.7729 6.7729 8.7770 8.7770 8.7770 8.7770 9.4317 9.4317 9.4317 9.4317 12.1197 12.1197 k = 0.5000-0.0000 0.0568 ( 1554 PWs) bands (ev): -6.2426 -6.2426 -6.2426 -6.2426 -2.8084 -2.8084 -2.8084 -2.8084 2.2538 2.2538 2.2538 2.2538 6.5868 6.5868 6.5868 6.5868 6.7658 6.7658 6.7658 6.7658 8.7973 8.7973 8.7973 8.7973 9.4561 9.4561 9.4561 9.4561 12.1869 12.1869 k = 0.5000-0.0000 0.0474 ( 1564 PWs) bands (ev): -6.2547 -6.2547 -6.2547 -6.2547 -2.7657 -2.7657 -2.7657 -2.7657 2.1934 2.1934 2.1934 2.1934 6.5775 6.5775 6.5775 6.5775 6.7596 6.7596 6.7596 6.7596 8.8146 8.8146 8.8146 8.8146 9.4770 9.4770 9.4770 9.4770 12.2448 12.2448 k = 0.5000-0.0000 0.0379 ( 1564 PWs) bands (ev): -6.2646 -6.2646 -6.2646 -6.2646 -2.7298 -2.7298 -2.7298 -2.7298 2.1430 2.1430 2.1430 2.1430 6.5699 6.5699 6.5699 6.5699 6.7545 6.7545 6.7545 6.7545 8.8289 8.8289 8.8289 8.8289 9.4944 9.4944 9.4944 9.4944 12.2930 12.2930 k = 0.5000-0.0000 0.0284 ( 1564 PWs) bands (ev): -6.2723 -6.2723 -6.2723 -6.2723 -2.7014 -2.7014 -2.7014 -2.7014 2.1032 2.1032 2.1032 2.1032 6.5640 6.5640 6.5640 6.5640 6.7505 6.7505 6.7505 6.7505 8.8401 8.8401 8.8401 8.8401 9.5079 9.5079 9.5079 9.5079 12.3310 12.3310 k = 0.5000-0.0000 0.0189 ( 1572 PWs) bands (ev): -6.2778 -6.2778 -6.2778 -6.2778 -2.6807 -2.6807 -2.6807 -2.6807 2.0744 2.0744 2.0744 2.0744 6.5597 6.5597 6.5597 6.5597 6.7476 6.7476 6.7476 6.7476 8.8481 8.8481 8.8481 8.8481 9.5177 9.5177 9.5177 9.5177 12.3584 12.3584 k = 0.5000-0.0000 0.0095 ( 1568 PWs) bands (ev): -6.2811 -6.2811 -6.2811 -6.2811 -2.6682 -2.6682 -2.6682 -2.6682 2.0570 2.0570 2.0570 2.0570 6.5571 6.5571 6.5571 6.5571 6.7459 6.7459 6.7459 6.7459 8.8530 8.8530 8.8530 8.8530 9.5236 9.5236 9.5236 9.5236 12.3750 12.3750 k = 0.5000-0.0000-0.0000 ( 1564 PWs) bands (ev): -6.2822 -6.2822 -6.2822 -6.2822 -2.6640 -2.6640 -2.6640 -2.6640 2.0511 2.0511 2.0511 2.0511 6.5563 6.5563 6.5563 6.5563 6.7453 6.7453 6.7453 6.7453 8.8546 8.8546 8.8546 8.8546 9.5256 9.5256 9.5256 9.5256 12.3805 12.3805 k = 0.5000 0.4623-0.0000 ( 1540 PWs) bands (ev): -5.3100 -5.3100 -5.3100 -5.3100 -1.9767 -1.9767 -1.9767 -1.9767 0.6885 0.6885 0.6885 0.6885 3.6312 3.6312 3.6312 3.6312 4.9763 4.9763 4.9763 4.9763 7.8981 7.8981 7.8981 7.8981 12.3060 12.3060 12.3060 12.3060 12.4833 12.4833 k = 0.5000 0.4623 0.0095 ( 1544 PWs) bands (ev): -5.3090 -5.3090 -5.3090 -5.3090 -1.9801 -1.9801 -1.9801 -1.9801 0.6895 0.6895 0.6895 0.6895 3.6366 3.6366 3.6366 3.6366 4.9705 4.9705 4.9705 4.9705 7.9046 7.9046 7.9046 7.9046 12.2999 12.2999 12.2999 12.2999 12.4827 12.4827 k = 0.5000 0.4623 0.0189 ( 1544 PWs) bands (ev): -5.3058 -5.3058 -5.3058 -5.3058 -1.9903 -1.9903 -1.9903 -1.9903 0.6926 0.6926 0.6926 0.6926 3.6527 3.6527 3.6527 3.6527 4.9532 4.9532 4.9532 4.9532 7.9239 7.9239 7.9239 7.9239 12.2817 12.2817 12.2817 12.2817 12.4811 12.4811 k = 0.5000 0.4623 0.0284 ( 1544 PWs) bands (ev): -5.3007 -5.3007 -5.3007 -5.3007 -2.0071 -2.0071 -2.0071 -2.0071 0.6978 0.6978 0.6978 0.6978 3.6794 3.6794 3.6794 3.6794 4.9250 4.9250 4.9250 4.9250 7.9555 7.9555 7.9555 7.9555 12.2514 12.2514 12.2514 12.2514 12.4786 12.4786 k = 0.5000 0.4623 0.0379 ( 1540 PWs) bands (ev): -5.2934 -5.2934 -5.2934 -5.2934 -2.0304 -2.0304 -2.0304 -2.0304 0.7050 0.7050 0.7050 0.7050 3.7165 3.7165 3.7165 3.7165 4.8866 4.8866 4.8866 4.8866 7.9987 7.9987 7.9987 7.9987 12.2092 12.2092 12.2092 12.2092 12.4752 12.4752 k = 0.5000 0.4623 0.0474 ( 1540 PWs) bands (ev): -5.2841 -5.2841 -5.2841 -5.2841 -2.0599 -2.0599 -2.0599 -2.0599 0.7142 0.7142 0.7142 0.7142 3.7637 3.7637 3.7637 3.7637 4.8390 4.8390 4.8390 4.8390 8.0523 8.0523 8.0523 8.0523 12.1552 12.1552 12.1552 12.1552 12.4711 12.4711 k = 0.5000 0.4623 0.0568 ( 1536 PWs) bands (ev): -5.2728 -5.2728 -5.2728 -5.2728 -2.0951 -2.0951 -2.0951 -2.0951 0.7254 0.7254 0.7254 0.7254 3.8207 3.8207 3.8207 3.8207 4.7832 4.7832 4.7832 4.7832 8.1153 8.1153 8.1153 8.1153 12.0899 12.0899 12.0899 12.0899 12.4662 12.4662 k = 0.5000 0.4623 0.0663 ( 1532 PWs) bands (ev): -5.2593 -5.2593 -5.2593 -5.2593 -2.1359 -2.1359 -2.1359 -2.1359 0.7387 0.7387 0.7387 0.7387 3.8869 3.8869 3.8869 3.8869 4.7203 4.7203 4.7203 4.7203 8.1865 8.1865 8.1865 8.1865 12.0137 12.0137 12.0137 12.0137 12.4605 12.4605 k = 0.5000 0.4623 0.0758 ( 1532 PWs) bands (ev): -5.2439 -5.2439 -5.2439 -5.2439 -2.1816 -2.1816 -2.1816 -2.1816 0.7539 0.7539 0.7539 0.7539 3.9621 3.9621 3.9621 3.9621 4.6515 4.6515 4.6515 4.6515 8.2648 8.2648 8.2648 8.2648 11.9271 11.9271 11.9271 11.9271 12.4541 12.4541 k = 0.5000 0.4623 0.0853 ( 1536 PWs) bands (ev): -5.2265 -5.2265 -5.2265 -5.2265 -2.2319 -2.2319 -2.2319 -2.2319 0.7710 0.7710 0.7710 0.7710 4.0458 4.0458 4.0458 4.0458 4.5778 4.5778 4.5778 4.5778 8.3491 8.3491 8.3491 8.3491 11.8307 11.8307 11.8307 11.8307 12.4467 12.4467 k = 0.5000 0.4623 0.0947 ( 1540 PWs) bands (ev): -5.2070 -5.2070 -5.2070 -5.2070 -2.2863 -2.2863 -2.2863 -2.2863 0.7901 0.7901 0.7901 0.7901 4.1373 4.1373 4.1373 4.1373 4.5001 4.5001 4.5001 4.5001 8.4384 8.4384 8.4384 8.4384 11.7251 11.7251 11.7251 11.7251 12.4385 12.4385 k = 0.5000 0.4623 0.1042 ( 1540 PWs) bands (ev): -5.1856 -5.1856 -5.1856 -5.1856 -2.3444 -2.3444 -2.3444 -2.3444 0.8110 0.8110 0.8110 0.8110 4.2360 4.2360 4.2360 4.2360 4.4196 4.4196 4.4196 4.4196 8.5316 8.5316 8.5316 8.5316 11.6109 11.6109 11.6109 11.6109 12.4295 12.4295 k = 0.5000 0.4623 0.1137 ( 1540 PWs) bands (ev): -5.1623 -5.1623 -5.1623 -5.1623 -2.4057 -2.4057 -2.4057 -2.4057 0.8338 0.8338 0.8338 0.8338 4.3231 4.3231 4.3231 4.3231 4.3555 4.3555 4.3555 4.3555 8.6281 8.6281 8.6281 8.6281 11.4888 11.4888 11.4888 11.4888 12.4195 12.4195 k = 0.5000 0.4623 0.1232 ( 1544 PWs) bands (ev): -5.1370 -5.1370 -5.1370 -5.1370 -2.4697 -2.4697 -2.4697 -2.4697 0.8582 0.8582 0.8582 0.8582 4.2484 4.2484 4.2484 4.2484 4.4580 4.4580 4.4580 4.4580 8.7269 8.7269 8.7269 8.7269 11.3591 11.3591 11.3591 11.3591 12.4085 12.4085 k = 0.5000 0.4623 0.1326 ( 1548 PWs) bands (ev): -5.1098 -5.1098 -5.1098 -5.1098 -2.5361 -2.5361 -2.5361 -2.5361 0.8844 0.8844 0.8844 0.8844 4.1625 4.1625 4.1625 4.1625 4.5768 4.5768 4.5768 4.5768 8.8273 8.8273 8.8273 8.8273 11.2228 11.2228 11.2228 11.2228 12.3966 12.3966 k = 0.5000 0.4623 0.1421 ( 1540 PWs) bands (ev): -5.0808 -5.0808 -5.0808 -5.0808 -2.6045 -2.6045 -2.6045 -2.6045 0.9122 0.9122 0.9122 0.9122 4.0757 4.0757 4.0757 4.0757 4.7018 4.7018 4.7018 4.7018 8.9287 8.9287 8.9287 8.9287 11.0802 11.0802 11.0802 11.0802 12.3838 12.3838 k = 0.5000 0.4623 0.1516 ( 1540 PWs) bands (ev): -5.0499 -5.0499 -5.0499 -5.0499 -2.6744 -2.6744 -2.6744 -2.6744 0.9415 0.9415 0.9415 0.9415 3.9886 3.9886 3.9886 3.9886 4.8323 4.8323 4.8323 4.8323 9.0303 9.0303 9.0303 9.0303 10.9320 10.9320 10.9320 10.9320 12.3700 12.3700 k = 0.5000 0.4623 0.1611 ( 1540 PWs) bands (ev): -5.0173 -5.0173 -5.0173 -5.0173 -2.7455 -2.7455 -2.7455 -2.7455 0.9723 0.9723 0.9723 0.9723 3.9019 3.9019 3.9019 3.9019 4.9679 4.9679 4.9679 4.9679 9.1317 9.1317 9.1317 9.1317 10.7786 10.7786 10.7786 10.7786 12.3553 12.3553 k = 0.5000 0.4623 0.1705 ( 1548 PWs) bands (ev): -4.9831 -4.9831 -4.9831 -4.9831 -2.8174 -2.8174 -2.8174 -2.8174 1.0042 1.0042 1.0042 1.0042 3.8159 3.8159 3.8159 3.8159 5.1083 5.1083 5.1083 5.1083 9.2321 9.2321 9.2321 9.2321 10.6205 10.6205 10.6205 10.6205 12.3396 12.3396 k = 0.5000 0.4623 0.1800 ( 1548 PWs) bands (ev): -4.9472 -4.9472 -4.9472 -4.9472 -2.8898 -2.8898 -2.8898 -2.8898 1.0374 1.0374 1.0374 1.0374 3.7310 3.7310 3.7310 3.7310 5.2530 5.2530 5.2530 5.2530 9.3311 9.3311 9.3311 9.3311 10.4583 10.4583 10.4583 10.4583 12.3231 12.3231 k = 0.5000 0.4623 0.1895 ( 1552 PWs) bands (ev): -4.9098 -4.9098 -4.9098 -4.9098 -2.9624 -2.9624 -2.9624 -2.9624 1.0714 1.0714 1.0714 1.0714 3.6478 3.6478 3.6478 3.6478 5.4019 5.4019 5.4019 5.4019 9.4281 9.4281 9.4281 9.4281 10.2925 10.2925 10.2925 10.2925 12.3057 12.3057 k = 0.5000 0.4623 0.1990 ( 1552 PWs) bands (ev): -4.8711 -4.8711 -4.8711 -4.8711 -3.0347 -3.0347 -3.0347 -3.0347 1.1063 1.1063 1.1063 1.1063 3.5665 3.5665 3.5665 3.5665 5.5546 5.5546 5.5546 5.5546 9.5224 9.5224 9.5224 9.5224 10.1234 10.1234 10.1234 10.1234 12.2877 12.2877 k = 0.5000 0.4623 0.2084 ( 1548 PWs) bands (ev): -4.8310 -4.8310 -4.8310 -4.8310 -3.1066 -3.1066 -3.1066 -3.1066 1.1416 1.1416 1.1416 1.1416 3.4876 3.4876 3.4876 3.4876 5.7108 5.7108 5.7108 5.7108 9.6136 9.6136 9.6136 9.6136 9.9516 9.9516 9.9516 9.9516 12.2691 12.2691 k = 0.5000 0.4623 0.2179 ( 1544 PWs) bands (ev): -4.7899 -4.7899 -4.7899 -4.7899 -3.1775 -3.1775 -3.1775 -3.1775 1.1772 1.1772 1.1772 1.1772 3.4115 3.4115 3.4115 3.4115 5.8703 5.8703 5.8703 5.8703 9.7006 9.7006 9.7006 9.7006 9.7778 9.7778 9.7778 9.7778 12.2502 12.2502 k = 0.5000 0.4623 0.2274 ( 1540 PWs) bands (ev): -4.7480 -4.7480 -4.7480 -4.7480 -3.2472 -3.2472 -3.2472 -3.2472 1.2126 1.2126 1.2126 1.2126 3.3387 3.3387 3.3387 3.3387 6.0329 6.0329 6.0329 6.0329 9.6001 9.6001 9.6001 9.6001 9.7849 9.7849 9.7849 9.7849 12.2310 12.2310 k = 0.5000 0.4623 0.2369 ( 1540 PWs) bands (ev): -4.7055 -4.7055 -4.7055 -4.7055 -3.3151 -3.3151 -3.3151 -3.3151 1.2475 1.2475 1.2475 1.2475 3.2698 3.2698 3.2698 3.2698 6.1982 6.1982 6.1982 6.1982 9.4220 9.4220 9.4220 9.4220 9.8629 9.8629 9.8629 9.8629 12.2119 12.2119 k = 0.5000 0.4623 0.2463 ( 1540 PWs) bands (ev): -4.6629 -4.6629 -4.6629 -4.6629 -3.3809 -3.3809 -3.3809 -3.3809 1.2813 1.2813 1.2813 1.2813 3.2051 3.2051 3.2051 3.2051 6.3661 6.3661 6.3661 6.3661 9.2423 9.2423 9.2423 9.2423 9.9355 9.9355 9.9355 9.9355 12.1931 12.1931 k = 0.5000 0.4623 0.2558 ( 1544 PWs) bands (ev): -4.6206 -4.6206 -4.6206 -4.6206 -3.4438 -3.4438 -3.4438 -3.4438 1.3137 1.3137 1.3137 1.3137 3.1455 3.1455 3.1455 3.1455 6.5362 6.5362 6.5362 6.5362 9.0614 9.0614 9.0614 9.0614 10.0018 10.0018 10.0018 10.0018 12.1751 12.1751 k = 0.5000 0.4623 0.2653 ( 1544 PWs) bands (ev): -4.5794 -4.5794 -4.5794 -4.5794 -3.5030 -3.5030 -3.5030 -3.5030 1.3438 1.3438 1.3438 1.3438 3.0916 3.0916 3.0916 3.0916 6.7084 6.7084 6.7084 6.7084 8.8798 8.8798 8.8798 8.8798 10.0612 10.0612 10.0612 10.0612 12.1582 12.1582 k = 0.5000 0.4623 0.2748 ( 1548 PWs) bands (ev): -4.5402 -4.5402 -4.5402 -4.5402 -3.5576 -3.5576 -3.5576 -3.5576 1.3711 1.3711 1.3711 1.3711 3.0440 3.0440 3.0440 3.0440 6.8824 6.8824 6.8824 6.8824 8.6977 8.6977 8.6977 8.6977 10.1129 10.1129 10.1129 10.1129 12.1429 12.1429 k = 0.5000 0.4623 0.2842 ( 1552 PWs) bands (ev): -4.5043 -4.5043 -4.5043 -4.5043 -3.6063 -3.6063 -3.6063 -3.6063 1.3949 1.3949 1.3949 1.3949 3.0037 3.0037 3.0037 3.0037 7.0579 7.0579 7.0579 7.0579 8.5154 8.5154 8.5154 8.5154 10.1563 10.1563 10.1563 10.1563 12.1295 12.1295 k = 0.5000 0.4623 0.2937 ( 1548 PWs) bands (ev): -4.4731 -4.4731 -4.4731 -4.4731 -3.6473 -3.6473 -3.6473 -3.6473 1.4143 1.4143 1.4143 1.4143 2.9713 2.9713 2.9713 2.9713 7.2345 7.2345 7.2345 7.2345 8.3336 8.3336 8.3336 8.3336 10.1908 10.1908 10.1908 10.1908 12.1186 12.1186 k = 0.5000 0.4623 0.3032 ( 1544 PWs) bands (ev): -4.4487 -4.4487 -4.4487 -4.4487 -3.6788 -3.6788 -3.6788 -3.6788 1.4288 1.4288 1.4288 1.4288 2.9476 2.9476 2.9476 2.9476 7.4112 7.4112 7.4112 7.4112 8.1531 8.1531 8.1531 8.1531 10.2160 10.2160 10.2160 10.2160 12.1105 12.1105 k = 0.5000 0.4623 0.3127 ( 1540 PWs) bands (ev): -4.4330 -4.4330 -4.4330 -4.4330 -3.6988 -3.6988 -3.6988 -3.6988 1.4377 1.4377 1.4377 1.4377 2.9331 2.9331 2.9331 2.9331 7.5845 7.5845 7.5845 7.5845 7.9776 7.9776 7.9776 7.9776 10.2313 10.2313 10.2313 10.2313 12.1055 12.1055 k = 0.5000 0.4623 0.3221 ( 1544 PWs) bands (ev): -4.4276 -4.4276 -4.4276 -4.4276 -3.7057 -3.7057 -3.7057 -3.7057 1.4407 1.4407 1.4407 1.4407 2.9282 2.9282 2.9282 2.9282 7.7058 7.7058 7.7058 7.7058 7.8555 7.8555 7.8555 7.8555 10.2364 10.2364 10.2364 10.2364 12.1038 12.1038 Writing output data file SN.save init_run : 0.12s CPU 0.28s WALL ( 1 calls) electrons : 64.61s CPU 66.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 64.60s CPU 66.28s 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) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 548 calls) cegterg : 58.46s CPU 59.62s WALL ( 577 calls) Called by sum_band: Called by *egterg: h_psi : 32.54s CPU 33.12s WALL ( 8382 calls) s_psi : 1.91s CPU 1.86s WALL ( 8382 calls) g_psi : 0.07s CPU 0.07s WALL ( 7257 calls) cdiaghg : 23.82s CPU 24.40s WALL ( 7805 calls) cegterg:over : 1.71s CPU 1.79s WALL ( 7257 calls) cegterg:upda : 1.00s CPU 1.22s WALL ( 7257 calls) cegterg:last : 0.70s CPU 0.80s WALL ( 1660 calls) cdiaghg:chol : 1.13s CPU 1.25s WALL ( 7805 calls) cdiaghg:inve : 0.46s CPU 0.54s WALL ( 7805 calls) cdiaghg:para : 1.40s CPU 1.47s WALL ( 15610 calls) Called by h_psi: h_psi:vloc : 28.38s CPU 28.95s WALL ( 8382 calls) h_psi:vnl : 4.09s CPU 4.13s WALL ( 8382 calls) add_vuspsi : 2.16s CPU 2.12s WALL ( 8382 calls) General routines calbec : 1.92s CPU 1.99s WALL ( 8382 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.88s CPU 27.33s WALL ( 592800 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 1096 calls) Parallel routines fft_scatter : 12.34s CPU 12.40s WALL ( 592823 calls) PWSCF : 1m15.04s CPU 1m32.98s WALL This run was terminated on: 20:57:46 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=