Program PWSCF v.5.1.1 starts on 16Jul2015 at 15: 6:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PoCl2.save/ file Po.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 64 48 13 2480 1582 245 Max 65 49 14 2487 1601 252 Sum 2057 1541 437 79421 50977 7931 bravais-lattice index = 14 lattice parameter (alat) = 6.9164 a.u. unit-cell volume = 481.2976 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 85.0000 Ry charge density cutoff = 457.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.916397 celldm(2)= 1.185792 celldm(3)= 1.226776 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 1.185792 0.000000 ) a(3) = ( 0.000000 0.000000 1.226776 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.843318 -0.000000 ) b(3) = ( 0.000000 0.000000 0.815145 ) PseudoPot. # 1 for Cl read from file: /home/autes/Pseudo/Cl.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 689bc0dc0caaad1d61892f37b0005eca Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1157 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 Po read from file: /home/autes/Pseudo/Po.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: b83a330bf4f76001f5723c9cad49035a Pseudo is Ultrasoft + core correction, Zval = 16.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1283 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 atomic species valence mass pseudopotential Cl 7.00 35.45300 Cl( 1.00) Po 16.00 210.00000 Po( 1.00) 8 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 472 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0021186 k( 3) = ( 0.0232558 -0.0000000 -0.0000000), wk = 0.0021186 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0021186 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0021186 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0021186 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0021186 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0021186 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0021186 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0021186 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0021186 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0021186 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0021186 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0021186 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0021186 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0021186 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0021186 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0021186 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0021186 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0021186 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0021186 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0021186 k( 23) = ( 0.2558140 -0.0000000 -0.0000000), wk = 0.0021186 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0021186 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0021186 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0021186 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0021186 k( 28) = ( 0.3139535 -0.0000000 -0.0000000), wk = 0.0021186 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0021186 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0021186 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0021186 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0021186 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0021186 k( 34) = ( 0.3837209 -0.0000000 -0.0000000), wk = 0.0021186 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0021186 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0021186 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0021186 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0021186 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0021186 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0021186 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0021186 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0021186 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0021186 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021186 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021186 k( 46) = ( 0.5000000 0.0113962 -0.0000000), wk = 0.0021186 k( 47) = ( 0.5000000 0.0227924 -0.0000000), wk = 0.0021186 k( 48) = ( 0.5000000 0.0341886 -0.0000000), wk = 0.0021186 k( 49) = ( 0.5000000 0.0455848 -0.0000000), wk = 0.0021186 k( 50) = ( 0.5000000 0.0569809 -0.0000000), wk = 0.0021186 k( 51) = ( 0.5000000 0.0683771 -0.0000000), wk = 0.0021186 k( 52) = ( 0.5000000 0.0797733 -0.0000000), wk = 0.0021186 k( 53) = ( 0.5000000 0.0911695 -0.0000000), wk = 0.0021186 k( 54) = ( 0.5000000 0.1025657 -0.0000000), wk = 0.0021186 k( 55) = ( 0.5000000 0.1139619 -0.0000000), wk = 0.0021186 k( 56) = ( 0.5000000 0.1253581 -0.0000000), wk = 0.0021186 k( 57) = ( 0.5000000 0.1367543 -0.0000000), wk = 0.0021186 k( 58) = ( 0.5000000 0.1481505 -0.0000000), wk = 0.0021186 k( 59) = ( 0.5000000 0.1595466 -0.0000000), wk = 0.0021186 k( 60) = ( 0.5000000 0.1709428 -0.0000000), wk = 0.0021186 k( 61) = ( 0.5000000 0.1823390 -0.0000000), wk = 0.0021186 k( 62) = ( 0.5000000 0.1937352 -0.0000000), wk = 0.0021186 k( 63) = ( 0.5000000 0.2051314 -0.0000000), wk = 0.0021186 k( 64) = ( 0.5000000 0.2165276 -0.0000000), wk = 0.0021186 k( 65) = ( 0.5000000 0.2279238 -0.0000000), wk = 0.0021186 k( 66) = ( 0.5000000 0.2393200 -0.0000000), wk = 0.0021186 k( 67) = ( 0.5000000 0.2507162 -0.0000000), wk = 0.0021186 k( 68) = ( 0.5000000 0.2621123 -0.0000000), wk = 0.0021186 k( 69) = ( 0.5000000 0.2735085 -0.0000000), wk = 0.0021186 k( 70) = ( 0.5000000 0.2849047 -0.0000000), wk = 0.0021186 k( 71) = ( 0.5000000 0.2963009 -0.0000000), wk = 0.0021186 k( 72) = ( 0.5000000 0.3076971 -0.0000000), wk = 0.0021186 k( 73) = ( 0.5000000 0.3190933 -0.0000000), wk = 0.0021186 k( 74) = ( 0.5000000 0.3304895 -0.0000000), wk = 0.0021186 k( 75) = ( 0.5000000 0.3418857 -0.0000000), wk = 0.0021186 k( 76) = ( 0.5000000 0.3532819 -0.0000000), wk = 0.0021186 k( 77) = ( 0.5000000 0.3646780 -0.0000000), wk = 0.0021186 k( 78) = ( 0.5000000 0.3760742 -0.0000000), wk = 0.0021186 k( 79) = ( 0.5000000 0.3874704 -0.0000000), wk = 0.0021186 k( 80) = ( 0.5000000 0.3988666 -0.0000000), wk = 0.0021186 k( 81) = ( 0.5000000 0.4102628 -0.0000000), wk = 0.0021186 k( 82) = ( 0.5000000 0.4216590 -0.0000000), wk = 0.0021186 k( 83) = ( 0.5000000 0.4216590 -0.0000000), wk = 0.0021186 k( 84) = ( 0.4883721 0.4216590 -0.0000000), wk = 0.0021186 k( 85) = ( 0.4767442 0.4216590 -0.0000000), wk = 0.0021186 k( 86) = ( 0.4651163 0.4216590 -0.0000000), wk = 0.0021186 k( 87) = ( 0.4534884 0.4216590 -0.0000000), wk = 0.0021186 k( 88) = ( 0.4418605 0.4216590 -0.0000000), wk = 0.0021186 k( 89) = ( 0.4302326 0.4216590 -0.0000000), wk = 0.0021186 k( 90) = ( 0.4186047 0.4216590 -0.0000000), wk = 0.0021186 k( 91) = ( 0.4069767 0.4216590 -0.0000000), wk = 0.0021186 k( 92) = ( 0.3953488 0.4216590 -0.0000000), wk = 0.0021186 k( 93) = ( 0.3837209 0.4216590 -0.0000000), wk = 0.0021186 k( 94) = ( 0.3720930 0.4216590 -0.0000000), wk = 0.0021186 k( 95) = ( 0.3604651 0.4216590 -0.0000000), wk = 0.0021186 k( 96) = ( 0.3488372 0.4216590 -0.0000000), wk = 0.0021186 k( 97) = ( 0.3372093 0.4216590 -0.0000000), wk = 0.0021186 k( 98) = ( 0.3255814 0.4216590 -0.0000000), wk = 0.0021186 k( 99) = ( 0.3139535 0.4216590 -0.0000000), wk = 0.0021186 k( 100) = ( 0.3023256 0.4216590 -0.0000000), wk = 0.0021186 k( 101) = ( 0.2906977 0.4216590 -0.0000000), wk = 0.0021186 k( 102) = ( 0.2790698 0.4216590 -0.0000000), wk = 0.0021186 k( 103) = ( 0.2674419 0.4216590 -0.0000000), wk = 0.0021186 k( 104) = ( 0.2558140 0.4216590 -0.0000000), wk = 0.0021186 k( 105) = ( 0.2441860 0.4216590 -0.0000000), wk = 0.0021186 k( 106) = ( 0.2325581 0.4216590 -0.0000000), wk = 0.0021186 k( 107) = ( 0.2209302 0.4216590 -0.0000000), wk = 0.0021186 k( 108) = ( 0.2093023 0.4216590 -0.0000000), wk = 0.0021186 k( 109) = ( 0.1976744 0.4216590 -0.0000000), wk = 0.0021186 k( 110) = ( 0.1860465 0.4216590 -0.0000000), wk = 0.0021186 k( 111) = ( 0.1744186 0.4216590 -0.0000000), wk = 0.0021186 k( 112) = ( 0.1627907 0.4216590 -0.0000000), wk = 0.0021186 k( 113) = ( 0.1511628 0.4216590 -0.0000000), wk = 0.0021186 k( 114) = ( 0.1395349 0.4216590 -0.0000000), wk = 0.0021186 k( 115) = ( 0.1279070 0.4216590 -0.0000000), wk = 0.0021186 k( 116) = ( 0.1162791 0.4216590 -0.0000000), wk = 0.0021186 k( 117) = ( 0.1046512 0.4216590 -0.0000000), wk = 0.0021186 k( 118) = ( 0.0930233 0.4216590 -0.0000000), wk = 0.0021186 k( 119) = ( 0.0813954 0.4216590 -0.0000000), wk = 0.0021186 k( 120) = ( 0.0697674 0.4216590 -0.0000000), wk = 0.0021186 k( 121) = ( 0.0581395 0.4216590 -0.0000000), wk = 0.0021186 k( 122) = ( 0.0465116 0.4216590 -0.0000000), wk = 0.0021186 k( 123) = ( 0.0348837 0.4216590 -0.0000000), wk = 0.0021186 k( 124) = ( 0.0232558 0.4216590 -0.0000000), wk = 0.0021186 k( 125) = ( 0.0116279 0.4216590 -0.0000000), wk = 0.0021186 k( 126) = ( 0.0000000 0.4216590 -0.0000000), wk = 0.0021186 k( 127) = ( 0.0000000 0.4216590 -0.0000000), wk = 0.0021186 k( 128) = ( 0.0000000 0.4102628 -0.0000000), wk = 0.0021186 k( 129) = ( 0.0000000 0.3988666 -0.0000000), wk = 0.0021186 k( 130) = ( 0.0000000 0.3874704 -0.0000000), wk = 0.0021186 k( 131) = ( 0.0000000 0.3760742 -0.0000000), wk = 0.0021186 k( 132) = ( 0.0000000 0.3646780 -0.0000000), wk = 0.0021186 k( 133) = ( 0.0000000 0.3532819 -0.0000000), wk = 0.0021186 k( 134) = ( 0.0000000 0.3418857 -0.0000000), wk = 0.0021186 k( 135) = ( 0.0000000 0.3304895 -0.0000000), wk = 0.0021186 k( 136) = ( 0.0000000 0.3190933 -0.0000000), wk = 0.0021186 k( 137) = ( 0.0000000 0.3076971 -0.0000000), wk = 0.0021186 k( 138) = ( 0.0000000 0.2963009 -0.0000000), wk = 0.0021186 k( 139) = ( 0.0000000 0.2849047 -0.0000000), wk = 0.0021186 k( 140) = ( 0.0000000 0.2735085 -0.0000000), wk = 0.0021186 k( 141) = ( 0.0000000 0.2621123 -0.0000000), wk = 0.0021186 k( 142) = ( 0.0000000 0.2507162 -0.0000000), wk = 0.0021186 k( 143) = ( 0.0000000 0.2393200 -0.0000000), wk = 0.0021186 k( 144) = ( 0.0000000 0.2279238 -0.0000000), wk = 0.0021186 k( 145) = ( 0.0000000 0.2165276 -0.0000000), wk = 0.0021186 k( 146) = ( 0.0000000 0.2051314 -0.0000000), wk = 0.0021186 k( 147) = ( 0.0000000 0.1937352 -0.0000000), wk = 0.0021186 k( 148) = ( 0.0000000 0.1823390 -0.0000000), wk = 0.0021186 k( 149) = ( 0.0000000 0.1709428 -0.0000000), wk = 0.0021186 k( 150) = ( 0.0000000 0.1595466 -0.0000000), wk = 0.0021186 k( 151) = ( 0.0000000 0.1481505 -0.0000000), wk = 0.0021186 k( 152) = ( 0.0000000 0.1367543 -0.0000000), wk = 0.0021186 k( 153) = ( 0.0000000 0.1253581 -0.0000000), wk = 0.0021186 k( 154) = ( 0.0000000 0.1139619 -0.0000000), wk = 0.0021186 k( 155) = ( 0.0000000 0.1025657 -0.0000000), wk = 0.0021186 k( 156) = ( 0.0000000 0.0911695 -0.0000000), wk = 0.0021186 k( 157) = ( 0.0000000 0.0797733 -0.0000000), wk = 0.0021186 k( 158) = ( 0.0000000 0.0683771 -0.0000000), wk = 0.0021186 k( 159) = ( 0.0000000 0.0569809 -0.0000000), wk = 0.0021186 k( 160) = ( 0.0000000 0.0455848 -0.0000000), wk = 0.0021186 k( 161) = ( 0.0000000 0.0341886 -0.0000000), wk = 0.0021186 k( 162) = ( 0.0000000 0.0227924 -0.0000000), wk = 0.0021186 k( 163) = ( 0.0000000 0.0113962 -0.0000000), wk = 0.0021186 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 166) = ( 0.0000000 0.0000000 0.0116449), wk = 0.0021186 k( 167) = ( 0.0000000 0.0000000 0.0232899), wk = 0.0021186 k( 168) = ( 0.0000000 0.0000000 0.0349348), wk = 0.0021186 k( 169) = ( 0.0000000 0.0000000 0.0465797), wk = 0.0021186 k( 170) = ( 0.0000000 0.0000000 0.0582246), wk = 0.0021186 k( 171) = ( 0.0000000 0.0000000 0.0698696), wk = 0.0021186 k( 172) = ( 0.0000000 0.0000000 0.0815145), wk = 0.0021186 k( 173) = ( 0.0000000 0.0000000 0.0931594), wk = 0.0021186 k( 174) = ( 0.0000000 0.0000000 0.1048043), wk = 0.0021186 k( 175) = ( 0.0000000 0.0000000 0.1164492), wk = 0.0021186 k( 176) = ( 0.0000000 0.0000000 0.1280942), wk = 0.0021186 k( 177) = ( 0.0000000 0.0000000 0.1397391), wk = 0.0021186 k( 178) = ( 0.0000000 0.0000000 0.1513840), wk = 0.0021186 k( 179) = ( 0.0000000 0.0000000 0.1630290), wk = 0.0021186 k( 180) = ( 0.0000000 0.0000000 0.1746739), wk = 0.0021186 k( 181) = ( 0.0000000 0.0000000 0.1863188), wk = 0.0021186 k( 182) = ( 0.0000000 0.0000000 0.1979637), wk = 0.0021186 k( 183) = ( 0.0000000 0.0000000 0.2096087), wk = 0.0021186 k( 184) = ( 0.0000000 0.0000000 0.2212536), wk = 0.0021186 k( 185) = ( 0.0000000 0.0000000 0.2328985), wk = 0.0021186 k( 186) = ( 0.0000000 0.0000000 0.2445434), wk = 0.0021186 k( 187) = ( 0.0000000 0.0000000 0.2561884), wk = 0.0021186 k( 188) = ( 0.0000000 0.0000000 0.2678333), wk = 0.0021186 k( 189) = ( 0.0000000 0.0000000 0.2794782), wk = 0.0021186 k( 190) = ( 0.0000000 0.0000000 0.2911231), wk = 0.0021186 k( 191) = ( 0.0000000 0.0000000 0.3027681), wk = 0.0021186 k( 192) = ( 0.0000000 0.0000000 0.3144130), wk = 0.0021186 k( 193) = ( 0.0000000 0.0000000 0.3260579), wk = 0.0021186 k( 194) = ( 0.0000000 0.0000000 0.3377028), wk = 0.0021186 k( 195) = ( 0.0000000 0.0000000 0.3493478), wk = 0.0021186 k( 196) = ( 0.0000000 0.0000000 0.3609927), wk = 0.0021186 k( 197) = ( 0.0000000 0.0000000 0.3726376), wk = 0.0021186 k( 198) = ( 0.0000000 0.0000000 0.3842825), wk = 0.0021186 k( 199) = ( 0.0000000 0.0000000 0.3959275), wk = 0.0021186 k( 200) = ( 0.0000000 0.0000000 0.4075724), wk = 0.0021186 k( 201) = ( 0.0000000 0.0000000 0.4075724), wk = 0.0021186 k( 202) = ( 0.0116279 -0.0000000 0.4075724), wk = 0.0021186 k( 203) = ( 0.0232558 -0.0000000 0.4075724), wk = 0.0021186 k( 204) = ( 0.0348837 -0.0000000 0.4075724), wk = 0.0021186 k( 205) = ( 0.0465116 -0.0000000 0.4075724), wk = 0.0021186 k( 206) = ( 0.0581395 -0.0000000 0.4075724), wk = 0.0021186 k( 207) = ( 0.0697674 -0.0000000 0.4075724), wk = 0.0021186 k( 208) = ( 0.0813954 -0.0000000 0.4075724), wk = 0.0021186 k( 209) = ( 0.0930233 -0.0000000 0.4075724), wk = 0.0021186 k( 210) = ( 0.1046512 -0.0000000 0.4075724), wk = 0.0021186 k( 211) = ( 0.1162791 -0.0000000 0.4075724), wk = 0.0021186 k( 212) = ( 0.1279070 -0.0000000 0.4075724), wk = 0.0021186 k( 213) = ( 0.1395349 -0.0000000 0.4075724), wk = 0.0021186 k( 214) = ( 0.1511628 -0.0000000 0.4075724), wk = 0.0021186 k( 215) = ( 0.1627907 -0.0000000 0.4075724), wk = 0.0021186 k( 216) = ( 0.1744186 -0.0000000 0.4075724), wk = 0.0021186 k( 217) = ( 0.1860465 -0.0000000 0.4075724), wk = 0.0021186 k( 218) = ( 0.1976744 -0.0000000 0.4075724), wk = 0.0021186 k( 219) = ( 0.2093023 -0.0000000 0.4075724), wk = 0.0021186 k( 220) = ( 0.2209302 -0.0000000 0.4075724), wk = 0.0021186 k( 221) = ( 0.2325581 -0.0000000 0.4075724), wk = 0.0021186 k( 222) = ( 0.2441860 -0.0000000 0.4075724), wk = 0.0021186 k( 223) = ( 0.2558140 -0.0000000 0.4075724), wk = 0.0021186 k( 224) = ( 0.2674419 -0.0000000 0.4075724), wk = 0.0021186 k( 225) = ( 0.2790698 -0.0000000 0.4075724), wk = 0.0021186 k( 226) = ( 0.2906977 -0.0000000 0.4075724), wk = 0.0021186 k( 227) = ( 0.3023256 -0.0000000 0.4075724), wk = 0.0021186 k( 228) = ( 0.3139535 -0.0000000 0.4075724), wk = 0.0021186 k( 229) = ( 0.3255814 -0.0000000 0.4075724), wk = 0.0021186 k( 230) = ( 0.3372093 -0.0000000 0.4075724), wk = 0.0021186 k( 231) = ( 0.3488372 -0.0000000 0.4075724), wk = 0.0021186 k( 232) = ( 0.3604651 -0.0000000 0.4075724), wk = 0.0021186 k( 233) = ( 0.3720930 -0.0000000 0.4075724), wk = 0.0021186 k( 234) = ( 0.3837209 -0.0000000 0.4075724), wk = 0.0021186 k( 235) = ( 0.3953488 -0.0000000 0.4075724), wk = 0.0021186 k( 236) = ( 0.4069767 -0.0000000 0.4075724), wk = 0.0021186 k( 237) = ( 0.4186047 -0.0000000 0.4075724), wk = 0.0021186 k( 238) = ( 0.4302326 -0.0000000 0.4075724), wk = 0.0021186 k( 239) = ( 0.4418605 -0.0000000 0.4075724), wk = 0.0021186 k( 240) = ( 0.4534884 -0.0000000 0.4075724), wk = 0.0021186 k( 241) = ( 0.4651163 -0.0000000 0.4075724), wk = 0.0021186 k( 242) = ( 0.4767442 -0.0000000 0.4075724), wk = 0.0021186 k( 243) = ( 0.4883721 -0.0000000 0.4075724), wk = 0.0021186 k( 244) = ( 0.5000000 -0.0000000 0.4075724), wk = 0.0021186 k( 245) = ( 0.5000000 -0.0000000 0.4075724), wk = 0.0021186 k( 246) = ( 0.5000000 0.0113962 0.4075724), wk = 0.0021186 k( 247) = ( 0.5000000 0.0227924 0.4075724), wk = 0.0021186 k( 248) = ( 0.5000000 0.0341886 0.4075724), wk = 0.0021186 k( 249) = ( 0.5000000 0.0455848 0.4075724), wk = 0.0021186 k( 250) = ( 0.5000000 0.0569809 0.4075724), wk = 0.0021186 k( 251) = ( 0.5000000 0.0683771 0.4075724), wk = 0.0021186 k( 252) = ( 0.5000000 0.0797733 0.4075724), wk = 0.0021186 k( 253) = ( 0.5000000 0.0911695 0.4075724), wk = 0.0021186 k( 254) = ( 0.5000000 0.1025657 0.4075724), wk = 0.0021186 k( 255) = ( 0.5000000 0.1139619 0.4075724), wk = 0.0021186 k( 256) = ( 0.5000000 0.1253581 0.4075724), wk = 0.0021186 k( 257) = ( 0.5000000 0.1367543 0.4075724), wk = 0.0021186 k( 258) = ( 0.5000000 0.1481505 0.4075724), wk = 0.0021186 k( 259) = ( 0.5000000 0.1595466 0.4075724), wk = 0.0021186 k( 260) = ( 0.5000000 0.1709428 0.4075724), wk = 0.0021186 k( 261) = ( 0.5000000 0.1823390 0.4075724), wk = 0.0021186 k( 262) = ( 0.5000000 0.1937352 0.4075724), wk = 0.0021186 k( 263) = ( 0.5000000 0.2051314 0.4075724), wk = 0.0021186 k( 264) = ( 0.5000000 0.2165276 0.4075724), wk = 0.0021186 k( 265) = ( 0.5000000 0.2279238 0.4075724), wk = 0.0021186 k( 266) = ( 0.5000000 0.2393200 0.4075724), wk = 0.0021186 k( 267) = ( 0.5000000 0.2507162 0.4075724), wk = 0.0021186 k( 268) = ( 0.5000000 0.2621123 0.4075724), wk = 0.0021186 k( 269) = ( 0.5000000 0.2735085 0.4075724), wk = 0.0021186 k( 270) = ( 0.5000000 0.2849047 0.4075724), wk = 0.0021186 k( 271) = ( 0.5000000 0.2963009 0.4075724), wk = 0.0021186 k( 272) = ( 0.5000000 0.3076971 0.4075724), wk = 0.0021186 k( 273) = ( 0.5000000 0.3190933 0.4075724), wk = 0.0021186 k( 274) = ( 0.5000000 0.3304895 0.4075724), wk = 0.0021186 k( 275) = ( 0.5000000 0.3418857 0.4075724), wk = 0.0021186 k( 276) = ( 0.5000000 0.3532819 0.4075724), wk = 0.0021186 k( 277) = ( 0.5000000 0.3646780 0.4075724), wk = 0.0021186 k( 278) = ( 0.5000000 0.3760742 0.4075724), wk = 0.0021186 k( 279) = ( 0.5000000 0.3874704 0.4075724), wk = 0.0021186 k( 280) = ( 0.5000000 0.3988666 0.4075724), wk = 0.0021186 k( 281) = ( 0.5000000 0.4102628 0.4075724), wk = 0.0021186 k( 282) = ( 0.5000000 0.4216590 0.4075724), wk = 0.0021186 k( 283) = ( 0.5000000 0.4216590 0.4075724), wk = 0.0021186 k( 284) = ( 0.4883721 0.4216590 0.4075724), wk = 0.0021186 k( 285) = ( 0.4767442 0.4216590 0.4075724), wk = 0.0021186 k( 286) = ( 0.4651163 0.4216590 0.4075724), wk = 0.0021186 k( 287) = ( 0.4534884 0.4216590 0.4075724), wk = 0.0021186 k( 288) = ( 0.4418605 0.4216590 0.4075724), wk = 0.0021186 k( 289) = ( 0.4302326 0.4216590 0.4075724), wk = 0.0021186 k( 290) = ( 0.4186047 0.4216590 0.4075724), wk = 0.0021186 k( 291) = ( 0.4069767 0.4216590 0.4075724), wk = 0.0021186 k( 292) = ( 0.3953488 0.4216590 0.4075724), wk = 0.0021186 k( 293) = ( 0.3837209 0.4216590 0.4075724), wk = 0.0021186 k( 294) = ( 0.3720930 0.4216590 0.4075724), wk = 0.0021186 k( 295) = ( 0.3604651 0.4216590 0.4075724), wk = 0.0021186 k( 296) = ( 0.3488372 0.4216590 0.4075724), wk = 0.0021186 k( 297) = ( 0.3372093 0.4216590 0.4075724), wk = 0.0021186 k( 298) = ( 0.3255814 0.4216590 0.4075724), wk = 0.0021186 k( 299) = ( 0.3139535 0.4216590 0.4075724), wk = 0.0021186 k( 300) = ( 0.3023256 0.4216590 0.4075724), wk = 0.0021186 k( 301) = ( 0.2906977 0.4216590 0.4075724), wk = 0.0021186 k( 302) = ( 0.2790698 0.4216590 0.4075724), wk = 0.0021186 k( 303) = ( 0.2674419 0.4216590 0.4075724), wk = 0.0021186 k( 304) = ( 0.2558140 0.4216590 0.4075724), wk = 0.0021186 k( 305) = ( 0.2441860 0.4216590 0.4075724), wk = 0.0021186 k( 306) = ( 0.2325581 0.4216590 0.4075724), wk = 0.0021186 k( 307) = ( 0.2209302 0.4216590 0.4075724), wk = 0.0021186 k( 308) = ( 0.2093023 0.4216590 0.4075724), wk = 0.0021186 k( 309) = ( 0.1976744 0.4216590 0.4075724), wk = 0.0021186 k( 310) = ( 0.1860465 0.4216590 0.4075724), wk = 0.0021186 k( 311) = ( 0.1744186 0.4216590 0.4075724), wk = 0.0021186 k( 312) = ( 0.1627907 0.4216590 0.4075724), wk = 0.0021186 k( 313) = ( 0.1511628 0.4216590 0.4075724), wk = 0.0021186 k( 314) = ( 0.1395349 0.4216590 0.4075724), wk = 0.0021186 k( 315) = ( 0.1279070 0.4216590 0.4075724), wk = 0.0021186 k( 316) = ( 0.1162791 0.4216590 0.4075724), wk = 0.0021186 k( 317) = ( 0.1046512 0.4216590 0.4075724), wk = 0.0021186 k( 318) = ( 0.0930233 0.4216590 0.4075724), wk = 0.0021186 k( 319) = ( 0.0813954 0.4216590 0.4075724), wk = 0.0021186 k( 320) = ( 0.0697674 0.4216590 0.4075724), wk = 0.0021186 k( 321) = ( 0.0581395 0.4216590 0.4075724), wk = 0.0021186 k( 322) = ( 0.0465116 0.4216590 0.4075724), wk = 0.0021186 k( 323) = ( 0.0348837 0.4216590 0.4075724), wk = 0.0021186 k( 324) = ( 0.0232558 0.4216590 0.4075724), wk = 0.0021186 k( 325) = ( 0.0116279 0.4216590 0.4075724), wk = 0.0021186 k( 326) = ( 0.0000000 0.4216590 0.4075724), wk = 0.0021186 k( 327) = ( 0.0000000 0.4216590 0.4075724), wk = 0.0021186 k( 328) = ( 0.0000000 0.4102628 0.4075724), wk = 0.0021186 k( 329) = ( 0.0000000 0.3988666 0.4075724), wk = 0.0021186 k( 330) = ( 0.0000000 0.3874704 0.4075724), wk = 0.0021186 k( 331) = ( 0.0000000 0.3760742 0.4075724), wk = 0.0021186 k( 332) = ( 0.0000000 0.3646780 0.4075724), wk = 0.0021186 k( 333) = ( 0.0000000 0.3532819 0.4075724), wk = 0.0021186 k( 334) = ( 0.0000000 0.3418857 0.4075724), wk = 0.0021186 k( 335) = ( 0.0000000 0.3304895 0.4075724), wk = 0.0021186 k( 336) = ( 0.0000000 0.3190933 0.4075724), wk = 0.0021186 k( 337) = ( 0.0000000 0.3076971 0.4075724), wk = 0.0021186 k( 338) = ( 0.0000000 0.2963009 0.4075724), wk = 0.0021186 k( 339) = ( 0.0000000 0.2849047 0.4075724), wk = 0.0021186 k( 340) = ( 0.0000000 0.2735085 0.4075724), wk = 0.0021186 k( 341) = ( 0.0000000 0.2621123 0.4075724), wk = 0.0021186 k( 342) = ( 0.0000000 0.2507162 0.4075724), wk = 0.0021186 k( 343) = ( 0.0000000 0.2393200 0.4075724), wk = 0.0021186 k( 344) = ( 0.0000000 0.2279238 0.4075724), wk = 0.0021186 k( 345) = ( 0.0000000 0.2165276 0.4075724), wk = 0.0021186 k( 346) = ( 0.0000000 0.2051314 0.4075724), wk = 0.0021186 k( 347) = ( 0.0000000 0.1937352 0.4075724), wk = 0.0021186 k( 348) = ( 0.0000000 0.1823390 0.4075724), wk = 0.0021186 k( 349) = ( 0.0000000 0.1709428 0.4075724), wk = 0.0021186 k( 350) = ( 0.0000000 0.1595466 0.4075724), wk = 0.0021186 k( 351) = ( 0.0000000 0.1481505 0.4075724), wk = 0.0021186 k( 352) = ( 0.0000000 0.1367543 0.4075724), wk = 0.0021186 k( 353) = ( 0.0000000 0.1253581 0.4075724), wk = 0.0021186 k( 354) = ( 0.0000000 0.1139619 0.4075724), wk = 0.0021186 k( 355) = ( 0.0000000 0.1025657 0.4075724), wk = 0.0021186 k( 356) = ( 0.0000000 0.0911695 0.4075724), wk = 0.0021186 k( 357) = ( 0.0000000 0.0797733 0.4075724), wk = 0.0021186 k( 358) = ( 0.0000000 0.0683771 0.4075724), wk = 0.0021186 k( 359) = ( 0.0000000 0.0569809 0.4075724), wk = 0.0021186 k( 360) = ( 0.0000000 0.0455848 0.4075724), wk = 0.0021186 k( 361) = ( 0.0000000 0.0341886 0.4075724), wk = 0.0021186 k( 362) = ( 0.0000000 0.0227924 0.4075724), wk = 0.0021186 k( 363) = ( 0.0000000 0.0113962 0.4075724), wk = 0.0021186 k( 364) = ( 0.0000000 0.0000000 0.4075724), wk = 0.0021186 k( 365) = ( 0.0000000 0.4216590 -0.0000000), wk = 0.0021186 k( 366) = ( 0.0000000 0.4216590 0.0116449), wk = 0.0021186 k( 367) = ( 0.0000000 0.4216590 0.0232899), wk = 0.0021186 k( 368) = ( 0.0000000 0.4216590 0.0349348), wk = 0.0021186 k( 369) = ( 0.0000000 0.4216590 0.0465797), wk = 0.0021186 k( 370) = ( 0.0000000 0.4216590 0.0582246), wk = 0.0021186 k( 371) = ( 0.0000000 0.4216590 0.0698696), wk = 0.0021186 k( 372) = ( 0.0000000 0.4216590 0.0815145), wk = 0.0021186 k( 373) = ( 0.0000000 0.4216590 0.0931594), wk = 0.0021186 k( 374) = ( 0.0000000 0.4216590 0.1048043), wk = 0.0021186 k( 375) = ( 0.0000000 0.4216590 0.1164492), wk = 0.0021186 k( 376) = ( 0.0000000 0.4216590 0.1280942), wk = 0.0021186 k( 377) = ( 0.0000000 0.4216590 0.1397391), wk = 0.0021186 k( 378) = ( 0.0000000 0.4216590 0.1513840), wk = 0.0021186 k( 379) = ( 0.0000000 0.4216590 0.1630290), wk = 0.0021186 k( 380) = ( 0.0000000 0.4216590 0.1746739), wk = 0.0021186 k( 381) = ( 0.0000000 0.4216590 0.1863188), wk = 0.0021186 k( 382) = ( 0.0000000 0.4216590 0.1979637), wk = 0.0021186 k( 383) = ( 0.0000000 0.4216590 0.2096087), wk = 0.0021186 k( 384) = ( 0.0000000 0.4216590 0.2212536), wk = 0.0021186 k( 385) = ( 0.0000000 0.4216590 0.2328985), wk = 0.0021186 k( 386) = ( 0.0000000 0.4216590 0.2445434), wk = 0.0021186 k( 387) = ( 0.0000000 0.4216590 0.2561884), wk = 0.0021186 k( 388) = ( 0.0000000 0.4216590 0.2678333), wk = 0.0021186 k( 389) = ( 0.0000000 0.4216590 0.2794782), wk = 0.0021186 k( 390) = ( 0.0000000 0.4216590 0.2911231), wk = 0.0021186 k( 391) = ( 0.0000000 0.4216590 0.3027681), wk = 0.0021186 k( 392) = ( 0.0000000 0.4216590 0.3144130), wk = 0.0021186 k( 393) = ( 0.0000000 0.4216590 0.3260579), wk = 0.0021186 k( 394) = ( 0.0000000 0.4216590 0.3377028), wk = 0.0021186 k( 395) = ( 0.0000000 0.4216590 0.3493478), wk = 0.0021186 k( 396) = ( 0.0000000 0.4216590 0.3609927), wk = 0.0021186 k( 397) = ( 0.0000000 0.4216590 0.3726376), wk = 0.0021186 k( 398) = ( 0.0000000 0.4216590 0.3842825), wk = 0.0021186 k( 399) = ( 0.0000000 0.4216590 0.3959275), wk = 0.0021186 k( 400) = ( 0.0000000 0.4216590 0.4075724), wk = 0.0021186 k( 401) = ( 0.5000000 -0.0000000 0.4075724), wk = 0.0021186 k( 402) = ( 0.5000000 -0.0000000 0.3959275), wk = 0.0021186 k( 403) = ( 0.5000000 -0.0000000 0.3842825), wk = 0.0021186 k( 404) = ( 0.5000000 -0.0000000 0.3726376), wk = 0.0021186 k( 405) = ( 0.5000000 -0.0000000 0.3609927), wk = 0.0021186 k( 406) = ( 0.5000000 -0.0000000 0.3493478), wk = 0.0021186 k( 407) = ( 0.5000000 -0.0000000 0.3377028), wk = 0.0021186 k( 408) = ( 0.5000000 -0.0000000 0.3260579), wk = 0.0021186 k( 409) = ( 0.5000000 -0.0000000 0.3144130), wk = 0.0021186 k( 410) = ( 0.5000000 -0.0000000 0.3027681), wk = 0.0021186 k( 411) = ( 0.5000000 -0.0000000 0.2911231), wk = 0.0021186 k( 412) = ( 0.5000000 -0.0000000 0.2794782), wk = 0.0021186 k( 413) = ( 0.5000000 -0.0000000 0.2678333), wk = 0.0021186 k( 414) = ( 0.5000000 -0.0000000 0.2561884), wk = 0.0021186 k( 415) = ( 0.5000000 -0.0000000 0.2445434), wk = 0.0021186 k( 416) = ( 0.5000000 -0.0000000 0.2328985), wk = 0.0021186 k( 417) = ( 0.5000000 -0.0000000 0.2212536), wk = 0.0021186 k( 418) = ( 0.5000000 -0.0000000 0.2096087), wk = 0.0021186 k( 419) = ( 0.5000000 -0.0000000 0.1979637), wk = 0.0021186 k( 420) = ( 0.5000000 -0.0000000 0.1863188), wk = 0.0021186 k( 421) = ( 0.5000000 -0.0000000 0.1746739), wk = 0.0021186 k( 422) = ( 0.5000000 -0.0000000 0.1630290), wk = 0.0021186 k( 423) = ( 0.5000000 -0.0000000 0.1513840), wk = 0.0021186 k( 424) = ( 0.5000000 -0.0000000 0.1397391), wk = 0.0021186 k( 425) = ( 0.5000000 -0.0000000 0.1280942), wk = 0.0021186 k( 426) = ( 0.5000000 -0.0000000 0.1164492), wk = 0.0021186 k( 427) = ( 0.5000000 -0.0000000 0.1048043), wk = 0.0021186 k( 428) = ( 0.5000000 -0.0000000 0.0931594), wk = 0.0021186 k( 429) = ( 0.5000000 -0.0000000 0.0815145), wk = 0.0021186 k( 430) = ( 0.5000000 -0.0000000 0.0698696), wk = 0.0021186 k( 431) = ( 0.5000000 -0.0000000 0.0582246), wk = 0.0021186 k( 432) = ( 0.5000000 -0.0000000 0.0465797), wk = 0.0021186 k( 433) = ( 0.5000000 -0.0000000 0.0349348), wk = 0.0021186 k( 434) = ( 0.5000000 -0.0000000 0.0232899), wk = 0.0021186 k( 435) = ( 0.5000000 -0.0000000 0.0116449), wk = 0.0021186 k( 436) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0021186 k( 437) = ( 0.5000000 0.4216590 -0.0000000), wk = 0.0021186 k( 438) = ( 0.5000000 0.4216590 0.0116449), wk = 0.0021186 k( 439) = ( 0.5000000 0.4216590 0.0232899), wk = 0.0021186 k( 440) = ( 0.5000000 0.4216590 0.0349348), wk = 0.0021186 k( 441) = ( 0.5000000 0.4216590 0.0465797), wk = 0.0021186 k( 442) = ( 0.5000000 0.4216590 0.0582246), wk = 0.0021186 k( 443) = ( 0.5000000 0.4216590 0.0698696), wk = 0.0021186 k( 444) = ( 0.5000000 0.4216590 0.0815145), wk = 0.0021186 k( 445) = ( 0.5000000 0.4216590 0.0931594), wk = 0.0021186 k( 446) = ( 0.5000000 0.4216590 0.1048043), wk = 0.0021186 k( 447) = ( 0.5000000 0.4216590 0.1164492), wk = 0.0021186 k( 448) = ( 0.5000000 0.4216590 0.1280942), wk = 0.0021186 k( 449) = ( 0.5000000 0.4216590 0.1397391), wk = 0.0021186 k( 450) = ( 0.5000000 0.4216590 0.1513840), wk = 0.0021186 k( 451) = ( 0.5000000 0.4216590 0.1630290), wk = 0.0021186 k( 452) = ( 0.5000000 0.4216590 0.1746739), wk = 0.0021186 k( 453) = ( 0.5000000 0.4216590 0.1863188), wk = 0.0021186 k( 454) = ( 0.5000000 0.4216590 0.1979637), wk = 0.0021186 k( 455) = ( 0.5000000 0.4216590 0.2096087), wk = 0.0021186 k( 456) = ( 0.5000000 0.4216590 0.2212536), wk = 0.0021186 k( 457) = ( 0.5000000 0.4216590 0.2328985), wk = 0.0021186 k( 458) = ( 0.5000000 0.4216590 0.2445434), wk = 0.0021186 k( 459) = ( 0.5000000 0.4216590 0.2561884), wk = 0.0021186 k( 460) = ( 0.5000000 0.4216590 0.2678333), wk = 0.0021186 k( 461) = ( 0.5000000 0.4216590 0.2794782), wk = 0.0021186 k( 462) = ( 0.5000000 0.4216590 0.2911231), wk = 0.0021186 k( 463) = ( 0.5000000 0.4216590 0.3027681), wk = 0.0021186 k( 464) = ( 0.5000000 0.4216590 0.3144130), wk = 0.0021186 k( 465) = ( 0.5000000 0.4216590 0.3260579), wk = 0.0021186 k( 466) = ( 0.5000000 0.4216590 0.3377028), wk = 0.0021186 k( 467) = ( 0.5000000 0.4216590 0.3493478), wk = 0.0021186 k( 468) = ( 0.5000000 0.4216590 0.3609927), wk = 0.0021186 k( 469) = ( 0.5000000 0.4216590 0.3726376), wk = 0.0021186 k( 470) = ( 0.5000000 0.4216590 0.3842825), wk = 0.0021186 k( 471) = ( 0.5000000 0.4216590 0.3959275), wk = 0.0021186 k( 472) = ( 0.5000000 0.4216590 0.4075724), wk = 0.0021186 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 2) = ( 0.0116279 -0.0000000 -0.0000000), wk = 0.0021186 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0021186 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0021186 k( 5) = ( 0.0465116 -0.0000000 -0.0000000), wk = 0.0021186 k( 6) = ( 0.0581395 0.0000000 0.0000000), wk = 0.0021186 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0021186 k( 8) = ( 0.0813954 0.0000000 -0.0000000), wk = 0.0021186 k( 9) = ( 0.0930233 -0.0000000 -0.0000000), wk = 0.0021186 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0021186 k( 11) = ( 0.1162791 0.0000000 0.0000000), wk = 0.0021186 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0021186 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0021186 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0021186 k( 15) = ( 0.1627907 0.0000000 -0.0000000), wk = 0.0021186 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0021186 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0021186 k( 18) = ( 0.1976744 0.0000000 -0.0000000), wk = 0.0021186 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0021186 k( 20) = ( 0.2209302 0.0000000 -0.0000000), wk = 0.0021186 k( 21) = ( 0.2325581 0.0000000 0.0000000), wk = 0.0021186 k( 22) = ( 0.2441860 0.0000000 0.0000000), wk = 0.0021186 k( 23) = ( 0.2558140 0.0000000 -0.0000000), wk = 0.0021186 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0021186 k( 25) = ( 0.2790698 0.0000000 -0.0000000), wk = 0.0021186 k( 26) = ( 0.2906977 0.0000000 0.0000000), wk = 0.0021186 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0021186 k( 28) = ( 0.3139535 0.0000000 -0.0000000), wk = 0.0021186 k( 29) = ( 0.3255814 0.0000000 -0.0000000), wk = 0.0021186 k( 30) = ( 0.3372093 0.0000000 0.0000000), wk = 0.0021186 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0021186 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0021186 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0021186 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0021186 k( 35) = ( 0.3953488 0.0000000 -0.0000000), wk = 0.0021186 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0021186 k( 37) = ( 0.4186047 0.0000000 0.0000000), wk = 0.0021186 k( 38) = ( 0.4302326 0.0000000 0.0000000), wk = 0.0021186 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0021186 k( 40) = ( 0.4534884 0.0000000 0.0000000), wk = 0.0021186 k( 41) = ( 0.4651163 0.0000000 0.0000000), wk = 0.0021186 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0021186 k( 43) = ( 0.4883721 0.0000000 0.0000000), wk = 0.0021186 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021186 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021186 k( 46) = ( 0.5000000 0.0135135 0.0000000), wk = 0.0021186 k( 47) = ( 0.5000000 0.0270270 0.0000000), wk = 0.0021186 k( 48) = ( 0.5000000 0.0405405 0.0000000), wk = 0.0021186 k( 49) = ( 0.5000000 0.0540541 0.0000000), wk = 0.0021186 k( 50) = ( 0.5000000 0.0675676 -0.0000000), wk = 0.0021186 k( 51) = ( 0.5000000 0.0810811 0.0000000), wk = 0.0021186 k( 52) = ( 0.5000000 0.0945946 -0.0000000), wk = 0.0021186 k( 53) = ( 0.5000000 0.1081081 0.0000000), wk = 0.0021186 k( 54) = ( 0.5000000 0.1216216 0.0000000), wk = 0.0021186 k( 55) = ( 0.5000000 0.1351351 0.0000000), wk = 0.0021186 k( 56) = ( 0.5000000 0.1486486 0.0000000), wk = 0.0021186 k( 57) = ( 0.5000000 0.1621622 -0.0000000), wk = 0.0021186 k( 58) = ( 0.5000000 0.1756757 -0.0000000), wk = 0.0021186 k( 59) = ( 0.5000000 0.1891892 0.0000000), wk = 0.0021186 k( 60) = ( 0.5000000 0.2027027 -0.0000000), wk = 0.0021186 k( 61) = ( 0.5000000 0.2162162 0.0000000), wk = 0.0021186 k( 62) = ( 0.5000000 0.2297297 0.0000000), wk = 0.0021186 k( 63) = ( 0.5000000 0.2432432 0.0000000), wk = 0.0021186 k( 64) = ( 0.5000000 0.2567568 0.0000000), wk = 0.0021186 k( 65) = ( 0.5000000 0.2702703 0.0000000), wk = 0.0021186 k( 66) = ( 0.5000000 0.2837838 0.0000000), wk = 0.0021186 k( 67) = ( 0.5000000 0.2972973 -0.0000000), wk = 0.0021186 k( 68) = ( 0.5000000 0.3108108 0.0000000), wk = 0.0021186 k( 69) = ( 0.5000000 0.3243243 0.0000000), wk = 0.0021186 k( 70) = ( 0.5000000 0.3378378 0.0000000), wk = 0.0021186 k( 71) = ( 0.5000000 0.3513514 0.0000000), wk = 0.0021186 k( 72) = ( 0.5000000 0.3648649 0.0000000), wk = 0.0021186 k( 73) = ( 0.5000000 0.3783784 0.0000000), wk = 0.0021186 k( 74) = ( 0.5000000 0.3918919 -0.0000000), wk = 0.0021186 k( 75) = ( 0.5000000 0.4054054 0.0000000), wk = 0.0021186 k( 76) = ( 0.5000000 0.4189189 0.0000000), wk = 0.0021186 k( 77) = ( 0.5000000 0.4324324 0.0000000), wk = 0.0021186 k( 78) = ( 0.5000000 0.4459459 0.0000000), wk = 0.0021186 k( 79) = ( 0.5000000 0.4594595 0.0000000), wk = 0.0021186 k( 80) = ( 0.5000000 0.4729730 0.0000000), wk = 0.0021186 k( 81) = ( 0.5000000 0.4864865 0.0000000), wk = 0.0021186 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 84) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0021186 k( 85) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0021186 k( 86) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0021186 k( 87) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0021186 k( 88) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0021186 k( 89) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0021186 k( 90) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0021186 k( 91) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0021186 k( 92) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0021186 k( 93) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0021186 k( 94) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0021186 k( 95) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0021186 k( 96) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0021186 k( 97) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0021186 k( 98) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0021186 k( 99) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0021186 k( 100) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0021186 k( 101) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0021186 k( 102) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0021186 k( 103) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0021186 k( 104) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0021186 k( 105) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0021186 k( 106) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0021186 k( 107) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0021186 k( 108) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0021186 k( 109) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0021186 k( 110) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0021186 k( 111) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0021186 k( 112) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0021186 k( 113) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0021186 k( 114) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0021186 k( 115) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0021186 k( 116) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0021186 k( 117) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0021186 k( 118) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0021186 k( 119) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0021186 k( 120) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0021186 k( 121) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0021186 k( 122) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0021186 k( 123) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0021186 k( 124) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0021186 k( 125) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0021186 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021186 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021186 k( 128) = ( 0.0000000 0.4864865 0.0000000), wk = 0.0021186 k( 129) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0021186 k( 130) = ( 0.0000000 0.4594595 0.0000000), wk = 0.0021186 k( 131) = ( 0.0000000 0.4459460 0.0000000), wk = 0.0021186 k( 132) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0021186 k( 133) = ( 0.0000000 0.4189189 0.0000000), wk = 0.0021186 k( 134) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0021186 k( 135) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0021186 k( 136) = ( 0.0000000 0.3783784 0.0000000), wk = 0.0021186 k( 137) = ( 0.0000000 0.3648649 0.0000000), wk = 0.0021186 k( 138) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0021186 k( 139) = ( 0.0000000 0.3378378 0.0000000), wk = 0.0021186 k( 140) = ( 0.0000000 0.3243243 0.0000000), wk = 0.0021186 k( 141) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0021186 k( 142) = ( 0.0000000 0.2972973 0.0000000), wk = 0.0021186 k( 143) = ( 0.0000000 0.2837838 0.0000000), wk = 0.0021186 k( 144) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0021186 k( 145) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0021186 k( 146) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0021186 k( 147) = ( 0.0000000 0.2297297 0.0000000), wk = 0.0021186 k( 148) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0021186 k( 149) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0021186 k( 150) = ( 0.0000000 0.1891892 0.0000000), wk = 0.0021186 k( 151) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0021186 k( 152) = ( 0.0000000 0.1621622 0.0000000), wk = 0.0021186 k( 153) = ( 0.0000000 0.1486486 0.0000000), wk = 0.0021186 k( 154) = ( 0.0000000 0.1351351 0.0000000), wk = 0.0021186 k( 155) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0021186 k( 156) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0021186 k( 157) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0021186 k( 158) = ( 0.0000000 0.0810811 0.0000000), wk = 0.0021186 k( 159) = ( 0.0000000 0.0675676 0.0000000), wk = 0.0021186 k( 160) = ( 0.0000000 0.0540541 0.0000000), wk = 0.0021186 k( 161) = ( 0.0000000 0.0405405 0.0000000), wk = 0.0021186 k( 162) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0021186 k( 163) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0021186 k( 164) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 165) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0021186 k( 166) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0021186 k( 167) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0021186 k( 168) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0021186 k( 169) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0021186 k( 170) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0021186 k( 171) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0021186 k( 172) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0021186 k( 173) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0021186 k( 174) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0021186 k( 175) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0021186 k( 176) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0021186 k( 177) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0021186 k( 178) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0021186 k( 179) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0021186 k( 180) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0021186 k( 181) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0021186 k( 182) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0021186 k( 183) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0021186 k( 184) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0021186 k( 185) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0021186 k( 186) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0021186 k( 187) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0021186 k( 188) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0021186 k( 189) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0021186 k( 190) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0021186 k( 191) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0021186 k( 192) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0021186 k( 193) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0021186 k( 194) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0021186 k( 195) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0021186 k( 196) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0021186 k( 197) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0021186 k( 198) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0021186 k( 199) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0021186 k( 200) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 201) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 202) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0021186 k( 203) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0021186 k( 204) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0021186 k( 205) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0021186 k( 206) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0021186 k( 207) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0021186 k( 208) = ( 0.0813954 0.0000000 0.5000000), wk = 0.0021186 k( 209) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0021186 k( 210) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0021186 k( 211) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0021186 k( 212) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0021186 k( 213) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0021186 k( 214) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0021186 k( 215) = ( 0.1627907 0.0000000 0.5000000), wk = 0.0021186 k( 216) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0021186 k( 217) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0021186 k( 218) = ( 0.1976744 0.0000000 0.5000000), wk = 0.0021186 k( 219) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0021186 k( 220) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0021186 k( 221) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0021186 k( 222) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0021186 k( 223) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0021186 k( 224) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0021186 k( 225) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0021186 k( 226) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0021186 k( 227) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0021186 k( 228) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0021186 k( 229) = ( 0.3255814 0.0000000 0.5000000), wk = 0.0021186 k( 230) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0021186 k( 231) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0021186 k( 232) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0021186 k( 233) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0021186 k( 234) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0021186 k( 235) = ( 0.3953488 0.0000000 0.5000000), wk = 0.0021186 k( 236) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0021186 k( 237) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0021186 k( 238) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0021186 k( 239) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0021186 k( 240) = ( 0.4534884 0.0000000 0.5000000), wk = 0.0021186 k( 241) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0021186 k( 242) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0021186 k( 243) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0021186 k( 244) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 245) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 246) = ( 0.5000000 0.0135135 0.5000000), wk = 0.0021186 k( 247) = ( 0.5000000 0.0270270 0.5000000), wk = 0.0021186 k( 248) = ( 0.5000000 0.0405405 0.5000000), wk = 0.0021186 k( 249) = ( 0.5000000 0.0540541 0.5000000), wk = 0.0021186 k( 250) = ( 0.5000000 0.0675676 0.5000000), wk = 0.0021186 k( 251) = ( 0.5000000 0.0810811 0.5000000), wk = 0.0021186 k( 252) = ( 0.5000000 0.0945946 0.5000000), wk = 0.0021186 k( 253) = ( 0.5000000 0.1081081 0.5000000), wk = 0.0021186 k( 254) = ( 0.5000000 0.1216216 0.5000000), wk = 0.0021186 k( 255) = ( 0.5000000 0.1351351 0.5000000), wk = 0.0021186 k( 256) = ( 0.5000000 0.1486486 0.5000000), wk = 0.0021186 k( 257) = ( 0.5000000 0.1621622 0.5000000), wk = 0.0021186 k( 258) = ( 0.5000000 0.1756757 0.5000000), wk = 0.0021186 k( 259) = ( 0.5000000 0.1891892 0.5000000), wk = 0.0021186 k( 260) = ( 0.5000000 0.2027027 0.5000000), wk = 0.0021186 k( 261) = ( 0.5000000 0.2162162 0.5000000), wk = 0.0021186 k( 262) = ( 0.5000000 0.2297297 0.5000000), wk = 0.0021186 k( 263) = ( 0.5000000 0.2432432 0.5000000), wk = 0.0021186 k( 264) = ( 0.5000000 0.2567568 0.5000000), wk = 0.0021186 k( 265) = ( 0.5000000 0.2702703 0.5000000), wk = 0.0021186 k( 266) = ( 0.5000000 0.2837838 0.5000000), wk = 0.0021186 k( 267) = ( 0.5000000 0.2972973 0.5000000), wk = 0.0021186 k( 268) = ( 0.5000000 0.3108108 0.5000000), wk = 0.0021186 k( 269) = ( 0.5000000 0.3243243 0.5000000), wk = 0.0021186 k( 270) = ( 0.5000000 0.3378378 0.5000000), wk = 0.0021186 k( 271) = ( 0.5000000 0.3513514 0.5000000), wk = 0.0021186 k( 272) = ( 0.5000000 0.3648649 0.5000000), wk = 0.0021186 k( 273) = ( 0.5000000 0.3783784 0.5000000), wk = 0.0021186 k( 274) = ( 0.5000000 0.3918919 0.5000000), wk = 0.0021186 k( 275) = ( 0.5000000 0.4054054 0.5000000), wk = 0.0021186 k( 276) = ( 0.5000000 0.4189189 0.5000000), wk = 0.0021186 k( 277) = ( 0.5000000 0.4324324 0.5000000), wk = 0.0021186 k( 278) = ( 0.5000000 0.4459459 0.5000000), wk = 0.0021186 k( 279) = ( 0.5000000 0.4594595 0.5000000), wk = 0.0021186 k( 280) = ( 0.5000000 0.4729730 0.5000000), wk = 0.0021186 k( 281) = ( 0.5000000 0.4864865 0.5000000), wk = 0.0021186 k( 282) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 283) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 k( 284) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0021186 k( 285) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0021186 k( 286) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0021186 k( 287) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0021186 k( 288) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0021186 k( 289) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0021186 k( 290) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0021186 k( 291) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0021186 k( 292) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0021186 k( 293) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0021186 k( 294) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0021186 k( 295) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0021186 k( 296) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0021186 k( 297) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0021186 k( 298) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0021186 k( 299) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0021186 k( 300) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0021186 k( 301) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0021186 k( 302) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0021186 k( 303) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0021186 k( 304) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0021186 k( 305) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0021186 k( 306) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0021186 k( 307) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0021186 k( 308) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0021186 k( 309) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0021186 k( 310) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0021186 k( 311) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0021186 k( 312) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0021186 k( 313) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0021186 k( 314) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0021186 k( 315) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0021186 k( 316) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0021186 k( 317) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0021186 k( 318) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0021186 k( 319) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0021186 k( 320) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0021186 k( 321) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0021186 k( 322) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0021186 k( 323) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0021186 k( 324) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0021186 k( 325) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0021186 k( 326) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021186 k( 327) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021186 k( 328) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0021186 k( 329) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0021186 k( 330) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0021186 k( 331) = ( 0.0000000 0.4459460 0.5000000), wk = 0.0021186 k( 332) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0021186 k( 333) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0021186 k( 334) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0021186 k( 335) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0021186 k( 336) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0021186 k( 337) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0021186 k( 338) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0021186 k( 339) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0021186 k( 340) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0021186 k( 341) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0021186 k( 342) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0021186 k( 343) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0021186 k( 344) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0021186 k( 345) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0021186 k( 346) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0021186 k( 347) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0021186 k( 348) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0021186 k( 349) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0021186 k( 350) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0021186 k( 351) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0021186 k( 352) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0021186 k( 353) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0021186 k( 354) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0021186 k( 355) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0021186 k( 356) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0021186 k( 357) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0021186 k( 358) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0021186 k( 359) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0021186 k( 360) = ( 0.0000000 0.0540541 0.5000000), wk = 0.0021186 k( 361) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0021186 k( 362) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0021186 k( 363) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0021186 k( 364) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0021186 k( 365) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0021186 k( 366) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0021186 k( 367) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0021186 k( 368) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0021186 k( 369) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0021186 k( 370) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0021186 k( 371) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0021186 k( 372) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0021186 k( 373) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0021186 k( 374) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0021186 k( 375) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0021186 k( 376) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0021186 k( 377) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0021186 k( 378) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0021186 k( 379) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0021186 k( 380) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0021186 k( 381) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0021186 k( 382) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0021186 k( 383) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0021186 k( 384) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0021186 k( 385) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0021186 k( 386) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0021186 k( 387) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0021186 k( 388) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0021186 k( 389) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0021186 k( 390) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0021186 k( 391) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0021186 k( 392) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0021186 k( 393) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0021186 k( 394) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0021186 k( 395) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0021186 k( 396) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0021186 k( 397) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0021186 k( 398) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0021186 k( 399) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0021186 k( 400) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0021186 k( 401) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0021186 k( 402) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0021186 k( 403) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0021186 k( 404) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0021186 k( 405) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0021186 k( 406) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0021186 k( 407) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0021186 k( 408) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0021186 k( 409) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0021186 k( 410) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0021186 k( 411) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0021186 k( 412) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0021186 k( 413) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0021186 k( 414) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0021186 k( 415) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0021186 k( 416) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0021186 k( 417) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0021186 k( 418) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0021186 k( 419) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0021186 k( 420) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0021186 k( 421) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0021186 k( 422) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0021186 k( 423) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0021186 k( 424) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0021186 k( 425) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0021186 k( 426) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0021186 k( 427) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0021186 k( 428) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0021186 k( 429) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0021186 k( 430) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0021186 k( 431) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0021186 k( 432) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0021186 k( 433) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0021186 k( 434) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0021186 k( 435) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0021186 k( 436) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0021186 k( 437) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0021186 k( 438) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0021186 k( 439) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0021186 k( 440) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0021186 k( 441) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0021186 k( 442) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0021186 k( 443) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0021186 k( 444) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0021186 k( 445) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0021186 k( 446) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0021186 k( 447) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0021186 k( 448) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0021186 k( 449) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0021186 k( 450) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0021186 k( 451) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0021186 k( 452) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0021186 k( 453) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0021186 k( 454) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0021186 k( 455) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0021186 k( 456) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0021186 k( 457) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0021186 k( 458) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0021186 k( 459) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0021186 k( 460) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0021186 k( 461) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0021186 k( 462) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0021186 k( 463) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0021186 k( 464) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0021186 k( 465) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0021186 k( 466) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0021186 k( 467) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0021186 k( 468) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0021186 k( 469) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0021186 k( 470) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0021186 k( 471) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0021186 k( 472) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0021186 Dense grid: 79421 G-vectors FFT dimensions: ( 48, 60, 60) Smooth grid: 50977 G-vectors FFT dimensions: ( 45, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.24 Mb ( 412, 38) NL pseudopotentials 0.32 Mb ( 206, 102) Each V/rho on FFT grid 0.09 Mb ( 5760) Each G-vector array 0.02 Mb ( 2482) G-vector shells 0.01 Mb ( 1273) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.96 Mb ( 412, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.12 Mb ( 102, 2, 38) The potential is recalculated from file : ./PoCl2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.8 secs Computing kpt #: 4 total cpu time spent up to now is 5.5 secs Computing kpt #: 5 total cpu time spent up to now is 6.3 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 8.0 secs Computing kpt #: 8 total cpu time spent up to now is 8.9 secs Computing kpt #: 9 total cpu time spent up to now is 9.9 secs Computing kpt #: 10 total cpu time spent up to now is 10.8 secs Computing kpt #: 11 total cpu time spent up to now is 11.7 secs Computing kpt #: 12 total cpu time spent up to now is 12.6 secs Computing kpt #: 13 total cpu time spent up to now is 13.6 secs Computing kpt #: 14 total cpu time spent up to now is 14.6 secs Computing kpt #: 15 total cpu time spent up to now is 15.5 secs Computing kpt #: 16 total cpu time spent up to now is 16.4 secs Computing kpt #: 17 total cpu time spent up to now is 17.3 secs Computing kpt #: 18 total cpu time spent up to now is 18.2 secs Computing kpt #: 19 total cpu time spent up to now is 19.2 secs Computing kpt #: 20 total cpu time spent up to now is 20.1 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 21.9 secs Computing kpt #: 23 total cpu time spent up to now is 22.7 secs Computing kpt #: 24 total cpu time spent up to now is 23.5 secs Computing kpt #: 25 total cpu time spent up to now is 24.3 secs Computing kpt #: 26 total cpu time spent up to now is 25.2 secs Computing kpt #: 27 total cpu time spent up to now is 26.0 secs Computing kpt #: 28 total cpu time spent up to now is 26.9 secs Computing kpt #: 29 total cpu time spent up to now is 27.7 secs Computing kpt #: 30 total cpu time spent up to now is 28.5 secs Computing kpt #: 31 total cpu time spent up to now is 29.4 secs Computing kpt #: 32 total cpu time spent up to now is 30.2 secs Computing kpt #: 33 total cpu time spent up to now is 31.0 secs Computing kpt #: 34 total cpu time spent up to now is 31.9 secs Computing kpt #: 35 total cpu time spent up to now is 32.7 secs Computing kpt #: 36 total cpu time spent up to now is 33.5 secs Computing kpt #: 37 total cpu time spent up to now is 34.4 secs Computing kpt #: 38 total cpu time spent up to now is 35.2 secs Computing kpt #: 39 total cpu time spent up to now is 36.1 secs Computing kpt #: 40 total cpu time spent up to now is 36.9 secs Computing kpt #: 41 total cpu time spent up to now is 37.8 secs Computing kpt #: 42 total cpu time spent up to now is 38.7 secs Computing kpt #: 43 total cpu time spent up to now is 39.6 secs Computing kpt #: 44 total cpu time spent up to now is 40.4 secs Computing kpt #: 45 total cpu time spent up to now is 41.2 secs Computing kpt #: 46 total cpu time spent up to now is 42.0 secs Computing kpt #: 47 total cpu time spent up to now is 42.8 secs Computing kpt #: 48 total cpu time spent up to now is 43.7 secs Computing kpt #: 49 total cpu time spent up to now is 44.7 secs Computing kpt #: 50 total cpu time spent up to now is 45.7 secs Computing kpt #: 51 total cpu time spent up to now is 46.6 secs Computing kpt #: 52 total cpu time spent up to now is 47.6 secs Computing kpt #: 53 total cpu time spent up to now is 48.5 secs Computing kpt #: 54 total cpu time spent up to now is 49.4 secs Computing kpt #: 55 total cpu time spent up to now is 50.2 secs Computing kpt #: 56 total cpu time spent up to now is 51.0 secs Computing kpt #: 57 total cpu time spent up to now is 51.9 secs Computing kpt #: 58 total cpu time spent up to now is 52.7 secs Computing kpt #: 59 total cpu time spent up to now is 53.6 secs Computing kpt #: 60 total cpu time spent up to now is 54.6 secs Computing kpt #: 61 total cpu time spent up to now is 55.6 secs Computing kpt #: 62 total cpu time spent up to now is 56.6 secs Computing kpt #: 63 total cpu time spent up to now is 57.5 secs Computing kpt #: 64 total cpu time spent up to now is 58.4 secs Computing kpt #: 65 total cpu time spent up to now is 59.2 secs Computing kpt #: 66 total cpu time spent up to now is 60.0 secs Computing kpt #: 67 total cpu time spent up to now is 60.9 secs Computing kpt #: 68 total cpu time spent up to now is 61.7 secs Computing kpt #: 69 total cpu time spent up to now is 62.4 secs Computing kpt #: 70 total cpu time spent up to now is 63.2 secs Computing kpt #: 71 total cpu time spent up to now is 64.0 secs Computing kpt #: 72 total cpu time spent up to now is 64.7 secs Computing kpt #: 73 total cpu time spent up to now is 65.5 secs Computing kpt #: 74 total cpu time spent up to now is 66.2 secs Computing kpt #: 75 total cpu time spent up to now is 67.0 secs Computing kpt #: 76 total cpu time spent up to now is 67.7 secs Computing kpt #: 77 total cpu time spent up to now is 68.4 secs Computing kpt #: 78 total cpu time spent up to now is 69.2 secs Computing kpt #: 79 total cpu time spent up to now is 69.9 secs Computing kpt #: 80 total cpu time spent up to now is 70.6 secs Computing kpt #: 81 total cpu time spent up to now is 71.3 secs Computing kpt #: 82 total cpu time spent up to now is 72.0 secs Computing kpt #: 83 total cpu time spent up to now is 72.7 secs Computing kpt #: 84 total cpu time spent up to now is 73.4 secs Computing kpt #: 85 total cpu time spent up to now is 74.1 secs Computing kpt #: 86 total cpu time spent up to now is 74.8 secs Computing kpt #: 87 total cpu time spent up to now is 75.5 secs Computing kpt #: 88 total cpu time spent up to now is 76.3 secs Computing kpt #: 89 total cpu time spent up to now is 77.0 secs Computing kpt #: 90 total cpu time spent up to now is 77.7 secs Computing kpt #: 91 total cpu time spent up to now is 78.5 secs Computing kpt #: 92 total cpu time spent up to now is 79.2 secs Computing kpt #: 93 total cpu time spent up to now is 79.9 secs Computing kpt #: 94 total cpu time spent up to now is 80.7 secs Computing kpt #: 95 total cpu time spent up to now is 81.4 secs Computing kpt #: 96 total cpu time spent up to now is 82.2 secs Computing kpt #: 97 total cpu time spent up to now is 82.9 secs Computing kpt #: 98 total cpu time spent up to now is 83.7 secs Computing kpt #: 99 total cpu time spent up to now is 84.5 secs Computing kpt #: 100 total cpu time spent up to now is 85.3 secs Computing kpt #: 101 total cpu time spent up to now is 86.2 secs Computing kpt #: 102 total cpu time spent up to now is 87.0 secs Computing kpt #: 103 total cpu time spent up to now is 88.0 secs Computing kpt #: 104 total cpu time spent up to now is 88.9 secs Computing kpt #: 105 total cpu time spent up to now is 89.9 secs Computing kpt #: 106 total cpu time spent up to now is 90.7 secs Computing kpt #: 107 total cpu time spent up to now is 91.5 secs Computing kpt #: 108 total cpu time spent up to now is 92.3 secs Computing kpt #: 109 total cpu time spent up to now is 93.1 secs Computing kpt #: 110 total cpu time spent up to now is 93.8 secs Computing kpt #: 111 total cpu time spent up to now is 94.6 secs Computing kpt #: 112 total cpu time spent up to now is 95.3 secs Computing kpt #: 113 total cpu time spent up to now is 96.0 secs Computing kpt #: 114 total cpu time spent up to now is 96.7 secs Computing kpt #: 115 total cpu time spent up to now is 97.5 secs Computing kpt #: 116 total cpu time spent up to now is 98.2 secs Computing kpt #: 117 total cpu time spent up to now is 98.9 secs Computing kpt #: 118 total cpu time spent up to now is 99.6 secs Computing kpt #: 119 total cpu time spent up to now is 100.3 secs Computing kpt #: 120 total cpu time spent up to now is 101.1 secs Computing kpt #: 121 total cpu time spent up to now is 101.8 secs Computing kpt #: 122 total cpu time spent up to now is 102.5 secs Computing kpt #: 123 total cpu time spent up to now is 103.2 secs Computing kpt #: 124 total cpu time spent up to now is 103.9 secs Computing kpt #: 125 total cpu time spent up to now is 104.5 secs Computing kpt #: 126 total cpu time spent up to now is 105.1 secs Computing kpt #: 127 total cpu time spent up to now is 105.7 secs Computing kpt #: 128 total cpu time spent up to now is 106.3 secs Computing kpt #: 129 total cpu time spent up to now is 107.0 secs Computing kpt #: 130 total cpu time spent up to now is 107.7 secs Computing kpt #: 131 total cpu time spent up to now is 108.4 secs Computing kpt #: 132 total cpu time spent up to now is 109.2 secs Computing kpt #: 133 total cpu time spent up to now is 109.9 secs Computing kpt #: 134 total cpu time spent up to now is 110.7 secs Computing kpt #: 135 total cpu time spent up to now is 111.4 secs Computing kpt #: 136 total cpu time spent up to now is 112.2 secs Computing kpt #: 137 total cpu time spent up to now is 113.0 secs Computing kpt #: 138 total cpu time spent up to now is 113.8 secs Computing kpt #: 139 total cpu time spent up to now is 114.7 secs Computing kpt #: 140 total cpu time spent up to now is 115.7 secs Computing kpt #: 141 total cpu time spent up to now is 116.6 secs Computing kpt #: 142 total cpu time spent up to now is 117.6 secs Computing kpt #: 143 total cpu time spent up to now is 118.5 secs Computing kpt #: 144 total cpu time spent up to now is 119.5 secs Computing kpt #: 145 total cpu time spent up to now is 120.5 secs Computing kpt #: 146 total cpu time spent up to now is 121.4 secs Computing kpt #: 147 total cpu time spent up to now is 122.4 secs Computing kpt #: 148 total cpu time spent up to now is 123.3 secs Computing kpt #: 149 total cpu time spent up to now is 124.2 secs Computing kpt #: 150 total cpu time spent up to now is 125.2 secs Computing kpt #: 151 total cpu time spent up to now is 126.1 secs Computing kpt #: 152 total cpu time spent up to now is 127.0 secs Computing kpt #: 153 total cpu time spent up to now is 127.9 secs Computing kpt #: 154 total cpu time spent up to now is 128.8 secs Computing kpt #: 155 total cpu time spent up to now is 129.7 secs Computing kpt #: 156 total cpu time spent up to now is 130.6 secs Computing kpt #: 157 total cpu time spent up to now is 131.5 secs Computing kpt #: 158 total cpu time spent up to now is 132.4 secs Computing kpt #: 159 total cpu time spent up to now is 133.3 secs Computing kpt #: 160 total cpu time spent up to now is 134.1 secs Computing kpt #: 161 total cpu time spent up to now is 134.9 secs Computing kpt #: 162 total cpu time spent up to now is 135.6 secs Computing kpt #: 163 total cpu time spent up to now is 136.3 secs Computing kpt #: 164 total cpu time spent up to now is 137.1 secs Computing kpt #: 165 total cpu time spent up to now is 137.9 secs Computing kpt #: 166 total cpu time spent up to now is 138.6 secs Computing kpt #: 167 total cpu time spent up to now is 139.4 secs Computing kpt #: 168 total cpu time spent up to now is 140.1 secs Computing kpt #: 169 total cpu time spent up to now is 140.9 secs Computing kpt #: 170 total cpu time spent up to now is 141.7 secs Computing kpt #: 171 total cpu time spent up to now is 142.5 secs Computing kpt #: 172 total cpu time spent up to now is 143.4 secs Computing kpt #: 173 total cpu time spent up to now is 144.3 secs Computing kpt #: 174 total cpu time spent up to now is 145.2 secs Computing kpt #: 175 total cpu time spent up to now is 146.1 secs Computing kpt #: 176 total cpu time spent up to now is 147.1 secs Computing kpt #: 177 total cpu time spent up to now is 148.0 secs Computing kpt #: 178 total cpu time spent up to now is 148.9 secs Computing kpt #: 179 total cpu time spent up to now is 149.8 secs Computing kpt #: 180 total cpu time spent up to now is 150.7 secs Computing kpt #: 181 total cpu time spent up to now is 151.6 secs Computing kpt #: 182 total cpu time spent up to now is 152.5 secs Computing kpt #: 183 total cpu time spent up to now is 153.4 secs Computing kpt #: 184 total cpu time spent up to now is 154.2 secs Computing kpt #: 185 total cpu time spent up to now is 155.0 secs Computing kpt #: 186 total cpu time spent up to now is 155.8 secs Computing kpt #: 187 total cpu time spent up to now is 156.6 secs Computing kpt #: 188 total cpu time spent up to now is 157.4 secs Computing kpt #: 189 total cpu time spent up to now is 158.2 secs Computing kpt #: 190 total cpu time spent up to now is 158.9 secs Computing kpt #: 191 total cpu time spent up to now is 159.7 secs Computing kpt #: 192 total cpu time spent up to now is 160.4 secs Computing kpt #: 193 total cpu time spent up to now is 161.1 secs Computing kpt #: 194 total cpu time spent up to now is 161.8 secs Computing kpt #: 195 total cpu time spent up to now is 162.6 secs Computing kpt #: 196 total cpu time spent up to now is 163.3 secs Computing kpt #: 197 total cpu time spent up to now is 163.9 secs Computing kpt #: 198 total cpu time spent up to now is 164.6 secs Computing kpt #: 199 total cpu time spent up to now is 165.2 secs Computing kpt #: 200 total cpu time spent up to now is 165.8 secs Computing kpt #: 201 total cpu time spent up to now is 166.3 secs Computing kpt #: 202 total cpu time spent up to now is 166.9 secs Computing kpt #: 203 total cpu time spent up to now is 167.6 secs Computing kpt #: 204 total cpu time spent up to now is 168.3 secs Computing kpt #: 205 total cpu time spent up to now is 169.0 secs Computing kpt #: 206 total cpu time spent up to now is 169.7 secs Computing kpt #: 207 total cpu time spent up to now is 170.5 secs Computing kpt #: 208 total cpu time spent up to now is 171.2 secs Computing kpt #: 209 total cpu time spent up to now is 171.9 secs Computing kpt #: 210 total cpu time spent up to now is 172.6 secs Computing kpt #: 211 total cpu time spent up to now is 173.3 secs Computing kpt #: 212 total cpu time spent up to now is 174.0 secs Computing kpt #: 213 total cpu time spent up to now is 174.7 secs Computing kpt #: 214 total cpu time spent up to now is 175.5 secs Computing kpt #: 215 total cpu time spent up to now is 176.2 secs Computing kpt #: 216 total cpu time spent up to now is 176.9 secs Computing kpt #: 217 total cpu time spent up to now is 177.6 secs Computing kpt #: 218 total cpu time spent up to now is 178.3 secs Computing kpt #: 219 total cpu time spent up to now is 179.1 secs Computing kpt #: 220 total cpu time spent up to now is 179.8 secs Computing kpt #: 221 total cpu time spent up to now is 180.6 secs Computing kpt #: 222 total cpu time spent up to now is 181.3 secs Computing kpt #: 223 total cpu time spent up to now is 182.1 secs Computing kpt #: 224 total cpu time spent up to now is 183.0 secs Computing kpt #: 225 total cpu time spent up to now is 183.9 secs Computing kpt #: 226 total cpu time spent up to now is 184.9 secs Computing kpt #: 227 total cpu time spent up to now is 185.8 secs Computing kpt #: 228 total cpu time spent up to now is 186.7 secs Computing kpt #: 229 total cpu time spent up to now is 187.5 secs Computing kpt #: 230 total cpu time spent up to now is 188.3 secs Computing kpt #: 231 total cpu time spent up to now is 189.1 secs Computing kpt #: 232 total cpu time spent up to now is 189.9 secs Computing kpt #: 233 total cpu time spent up to now is 190.6 secs Computing kpt #: 234 total cpu time spent up to now is 191.4 secs Computing kpt #: 235 total cpu time spent up to now is 192.1 secs Computing kpt #: 236 total cpu time spent up to now is 192.9 secs Computing kpt #: 237 total cpu time spent up to now is 193.7 secs Computing kpt #: 238 total cpu time spent up to now is 194.4 secs Computing kpt #: 239 total cpu time spent up to now is 195.2 secs Computing kpt #: 240 total cpu time spent up to now is 195.9 secs Computing kpt #: 241 total cpu time spent up to now is 196.7 secs Computing kpt #: 242 total cpu time spent up to now is 197.4 secs Computing kpt #: 243 total cpu time spent up to now is 198.1 secs Computing kpt #: 244 total cpu time spent up to now is 198.8 secs Computing kpt #: 245 total cpu time spent up to now is 199.5 secs Computing kpt #: 246 total cpu time spent up to now is 200.3 secs Computing kpt #: 247 total cpu time spent up to now is 201.0 secs Computing kpt #: 248 total cpu time spent up to now is 201.8 secs Computing kpt #: 249 total cpu time spent up to now is 202.6 secs Computing kpt #: 250 total cpu time spent up to now is 203.3 secs Computing kpt #: 251 total cpu time spent up to now is 204.2 secs Computing kpt #: 252 total cpu time spent up to now is 205.0 secs Computing kpt #: 253 total cpu time spent up to now is 205.9 secs Computing kpt #: 254 total cpu time spent up to now is 206.9 secs Computing kpt #: 255 total cpu time spent up to now is 207.8 secs Computing kpt #: 256 total cpu time spent up to now is 208.7 secs Computing kpt #: 257 total cpu time spent up to now is 209.6 secs Computing kpt #: 258 total cpu time spent up to now is 210.4 secs Computing kpt #: 259 total cpu time spent up to now is 211.1 secs Computing kpt #: 260 total cpu time spent up to now is 211.9 secs Computing kpt #: 261 total cpu time spent up to now is 212.7 secs Computing kpt #: 262 total cpu time spent up to now is 213.4 secs Computing kpt #: 263 total cpu time spent up to now is 214.1 secs Computing kpt #: 264 total cpu time spent up to now is 214.9 secs Computing kpt #: 265 total cpu time spent up to now is 215.6 secs Computing kpt #: 266 total cpu time spent up to now is 216.4 secs Computing kpt #: 267 total cpu time spent up to now is 217.1 secs Computing kpt #: 268 total cpu time spent up to now is 217.9 secs Computing kpt #: 269 total cpu time spent up to now is 218.6 secs Computing kpt #: 270 total cpu time spent up to now is 219.4 secs Computing kpt #: 271 total cpu time spent up to now is 220.1 secs Computing kpt #: 272 total cpu time spent up to now is 220.9 secs Computing kpt #: 273 total cpu time spent up to now is 221.6 secs Computing kpt #: 274 total cpu time spent up to now is 222.4 secs Computing kpt #: 275 total cpu time spent up to now is 223.1 secs Computing kpt #: 276 total cpu time spent up to now is 223.9 secs Computing kpt #: 277 total cpu time spent up to now is 224.7 secs Computing kpt #: 278 total cpu time spent up to now is 225.4 secs Computing kpt #: 279 total cpu time spent up to now is 226.2 secs Computing kpt #: 280 total cpu time spent up to now is 226.9 secs Computing kpt #: 281 total cpu time spent up to now is 227.6 secs Computing kpt #: 282 total cpu time spent up to now is 228.3 secs Computing kpt #: 283 total cpu time spent up to now is 229.0 secs Computing kpt #: 284 total cpu time spent up to now is 229.7 secs Computing kpt #: 285 total cpu time spent up to now is 230.4 secs Computing kpt #: 286 total cpu time spent up to now is 231.1 secs Computing kpt #: 287 total cpu time spent up to now is 231.9 secs Computing kpt #: 288 total cpu time spent up to now is 232.6 secs Computing kpt #: 289 total cpu time spent up to now is 233.4 secs Computing kpt #: 290 total cpu time spent up to now is 234.2 secs Computing kpt #: 291 total cpu time spent up to now is 235.0 secs Computing kpt #: 292 total cpu time spent up to now is 235.8 secs Computing kpt #: 293 total cpu time spent up to now is 236.6 secs Computing kpt #: 294 total cpu time spent up to now is 237.4 secs Computing kpt #: 295 total cpu time spent up to now is 238.2 secs Computing kpt #: 296 total cpu time spent up to now is 239.0 secs Computing kpt #: 297 total cpu time spent up to now is 239.9 secs Computing kpt #: 298 total cpu time spent up to now is 240.8 secs Computing kpt #: 299 total cpu time spent up to now is 241.7 secs Computing kpt #: 300 total cpu time spent up to now is 242.6 secs Computing kpt #: 301 total cpu time spent up to now is 243.5 secs Computing kpt #: 302 total cpu time spent up to now is 244.4 secs Computing kpt #: 303 total cpu time spent up to now is 245.3 secs Computing kpt #: 304 total cpu time spent up to now is 246.2 secs Computing kpt #: 305 total cpu time spent up to now is 247.1 secs Computing kpt #: 306 total cpu time spent up to now is 248.0 secs Computing kpt #: 307 total cpu time spent up to now is 248.8 secs Computing kpt #: 308 total cpu time spent up to now is 249.7 secs Computing kpt #: 309 total cpu time spent up to now is 250.5 secs Computing kpt #: 310 total cpu time spent up to now is 251.3 secs Computing kpt #: 311 total cpu time spent up to now is 252.1 secs Computing kpt #: 312 total cpu time spent up to now is 253.0 secs Computing kpt #: 313 total cpu time spent up to now is 253.9 secs Computing kpt #: 314 total cpu time spent up to now is 254.8 secs Computing kpt #: 315 total cpu time spent up to now is 255.7 secs Computing kpt #: 316 total cpu time spent up to now is 256.6 secs Computing kpt #: 317 total cpu time spent up to now is 257.5 secs Computing kpt #: 318 total cpu time spent up to now is 258.5 secs Computing kpt #: 319 total cpu time spent up to now is 259.4 secs Computing kpt #: 320 total cpu time spent up to now is 260.3 secs Computing kpt #: 321 total cpu time spent up to now is 261.3 secs Computing kpt #: 322 total cpu time spent up to now is 262.2 secs Computing kpt #: 323 total cpu time spent up to now is 263.1 secs Computing kpt #: 324 total cpu time spent up to now is 263.9 secs Computing kpt #: 325 total cpu time spent up to now is 264.9 secs Computing kpt #: 326 total cpu time spent up to now is 265.8 secs Computing kpt #: 327 total cpu time spent up to now is 266.7 secs Computing kpt #: 328 total cpu time spent up to now is 267.6 secs Computing kpt #: 329 total cpu time spent up to now is 268.4 secs Computing kpt #: 330 total cpu time spent up to now is 269.2 secs Computing kpt #: 331 total cpu time spent up to now is 270.1 secs Computing kpt #: 332 total cpu time spent up to now is 270.9 secs Computing kpt #: 333 total cpu time spent up to now is 271.7 secs Computing kpt #: 334 total cpu time spent up to now is 272.5 secs Computing kpt #: 335 total cpu time spent up to now is 273.4 secs Computing kpt #: 336 total cpu time spent up to now is 274.2 secs Computing kpt #: 337 total cpu time spent up to now is 275.0 secs Computing kpt #: 338 total cpu time spent up to now is 275.8 secs Computing kpt #: 339 total cpu time spent up to now is 276.6 secs Computing kpt #: 340 total cpu time spent up to now is 277.3 secs Computing kpt #: 341 total cpu time spent up to now is 278.1 secs Computing kpt #: 342 total cpu time spent up to now is 278.8 secs Computing kpt #: 343 total cpu time spent up to now is 279.6 secs Computing kpt #: 344 total cpu time spent up to now is 280.3 secs Computing kpt #: 345 total cpu time spent up to now is 281.0 secs Computing kpt #: 346 total cpu time spent up to now is 281.7 secs Computing kpt #: 347 total cpu time spent up to now is 282.4 secs Computing kpt #: 348 total cpu time spent up to now is 283.2 secs Computing kpt #: 349 total cpu time spent up to now is 283.9 secs Computing kpt #: 350 total cpu time spent up to now is 284.6 secs Computing kpt #: 351 total cpu time spent up to now is 285.3 secs Computing kpt #: 352 total cpu time spent up to now is 286.0 secs Computing kpt #: 353 total cpu time spent up to now is 286.7 secs Computing kpt #: 354 total cpu time spent up to now is 287.4 secs Computing kpt #: 355 total cpu time spent up to now is 288.1 secs Computing kpt #: 356 total cpu time spent up to now is 288.8 secs Computing kpt #: 357 total cpu time spent up to now is 289.6 secs Computing kpt #: 358 total cpu time spent up to now is 290.3 secs Computing kpt #: 359 total cpu time spent up to now is 291.0 secs Computing kpt #: 360 total cpu time spent up to now is 291.6 secs Computing kpt #: 361 total cpu time spent up to now is 292.3 secs Computing kpt #: 362 total cpu time spent up to now is 292.9 secs Computing kpt #: 363 total cpu time spent up to now is 293.5 secs Computing kpt #: 364 total cpu time spent up to now is 294.1 secs Computing kpt #: 365 total cpu time spent up to now is 294.7 secs Computing kpt #: 366 total cpu time spent up to now is 295.3 secs Computing kpt #: 367 total cpu time spent up to now is 295.9 secs Computing kpt #: 368 total cpu time spent up to now is 296.6 secs Computing kpt #: 369 total cpu time spent up to now is 297.3 secs Computing kpt #: 370 total cpu time spent up to now is 298.0 secs Computing kpt #: 371 total cpu time spent up to now is 298.7 secs Computing kpt #: 372 total cpu time spent up to now is 299.4 secs Computing kpt #: 373 total cpu time spent up to now is 300.2 secs Computing kpt #: 374 total cpu time spent up to now is 300.9 secs Computing kpt #: 375 total cpu time spent up to now is 301.6 secs Computing kpt #: 376 total cpu time spent up to now is 302.3 secs Computing kpt #: 377 total cpu time spent up to now is 303.0 secs Computing kpt #: 378 total cpu time spent up to now is 303.7 secs Computing kpt #: 379 total cpu time spent up to now is 304.5 secs Computing kpt #: 380 total cpu time spent up to now is 305.2 secs Computing kpt #: 381 total cpu time spent up to now is 305.9 secs Computing kpt #: 382 total cpu time spent up to now is 306.7 secs Computing kpt #: 383 total cpu time spent up to now is 307.4 secs Computing kpt #: 384 total cpu time spent up to now is 308.2 secs Computing kpt #: 385 total cpu time spent up to now is 308.9 secs Computing kpt #: 386 total cpu time spent up to now is 309.7 secs Computing kpt #: 387 total cpu time spent up to now is 310.5 secs Computing kpt #: 388 total cpu time spent up to now is 311.3 secs Computing kpt #: 389 total cpu time spent up to now is 312.1 secs Computing kpt #: 390 total cpu time spent up to now is 312.9 secs Computing kpt #: 391 total cpu time spent up to now is 313.7 secs Computing kpt #: 392 total cpu time spent up to now is 314.6 secs Computing kpt #: 393 total cpu time spent up to now is 315.4 secs Computing kpt #: 394 total cpu time spent up to now is 316.3 secs Computing kpt #: 395 total cpu time spent up to now is 317.2 secs Computing kpt #: 396 total cpu time spent up to now is 318.1 secs Computing kpt #: 397 total cpu time spent up to now is 319.0 secs Computing kpt #: 398 total cpu time spent up to now is 319.8 secs Computing kpt #: 399 total cpu time spent up to now is 320.7 secs Computing kpt #: 400 total cpu time spent up to now is 321.5 secs Computing kpt #: 401 total cpu time spent up to now is 322.2 secs Computing kpt #: 402 total cpu time spent up to now is 322.9 secs Computing kpt #: 403 total cpu time spent up to now is 323.6 secs Computing kpt #: 404 total cpu time spent up to now is 324.4 secs Computing kpt #: 405 total cpu time spent up to now is 325.1 secs Computing kpt #: 406 total cpu time spent up to now is 325.9 secs Computing kpt #: 407 total cpu time spent up to now is 326.7 secs Computing kpt #: 408 total cpu time spent up to now is 327.5 secs Computing kpt #: 409 total cpu time spent up to now is 328.2 secs Computing kpt #: 410 total cpu time spent up to now is 329.0 secs Computing kpt #: 411 total cpu time spent up to now is 329.9 secs Computing kpt #: 412 total cpu time spent up to now is 330.7 secs Computing kpt #: 413 total cpu time spent up to now is 331.5 secs Computing kpt #: 414 total cpu time spent up to now is 332.4 secs Computing kpt #: 415 total cpu time spent up to now is 333.2 secs Computing kpt #: 416 total cpu time spent up to now is 334.2 secs Computing kpt #: 417 total cpu time spent up to now is 335.1 secs Computing kpt #: 418 total cpu time spent up to now is 336.1 secs Computing kpt #: 419 total cpu time spent up to now is 337.1 secs Computing kpt #: 420 total cpu time spent up to now is 338.1 secs Computing kpt #: 421 total cpu time spent up to now is 338.9 secs Computing kpt #: 422 total cpu time spent up to now is 339.8 secs Computing kpt #: 423 total cpu time spent up to now is 340.6 secs Computing kpt #: 424 total cpu time spent up to now is 341.5 secs Computing kpt #: 425 total cpu time spent up to now is 342.3 secs Computing kpt #: 426 total cpu time spent up to now is 343.2 secs Computing kpt #: 427 total cpu time spent up to now is 344.0 secs Computing kpt #: 428 total cpu time spent up to now is 344.9 secs Computing kpt #: 429 total cpu time spent up to now is 345.9 secs Computing kpt #: 430 total cpu time spent up to now is 346.9 secs Computing kpt #: 431 total cpu time spent up to now is 347.9 secs Computing kpt #: 432 total cpu time spent up to now is 348.8 secs Computing kpt #: 433 total cpu time spent up to now is 349.8 secs Computing kpt #: 434 total cpu time spent up to now is 350.6 secs Computing kpt #: 435 total cpu time spent up to now is 351.4 secs Computing kpt #: 436 total cpu time spent up to now is 352.2 secs Computing kpt #: 437 total cpu time spent up to now is 352.9 secs Computing kpt #: 438 total cpu time spent up to now is 353.6 secs Computing kpt #: 439 total cpu time spent up to now is 354.3 secs Computing kpt #: 440 total cpu time spent up to now is 355.0 secs Computing kpt #: 441 total cpu time spent up to now is 355.8 secs Computing kpt #: 442 total cpu time spent up to now is 356.5 secs Computing kpt #: 443 total cpu time spent up to now is 357.3 secs Computing kpt #: 444 total cpu time spent up to now is 358.0 secs Computing kpt #: 445 total cpu time spent up to now is 358.8 secs Computing kpt #: 446 total cpu time spent up to now is 359.6 secs Computing kpt #: 447 total cpu time spent up to now is 360.4 secs Computing kpt #: 448 total cpu time spent up to now is 361.4 secs Computing kpt #: 449 total cpu time spent up to now is 362.3 secs Computing kpt #: 450 total cpu time spent up to now is 363.3 secs Computing kpt #: 451 total cpu time spent up to now is 364.3 secs Computing kpt #: 452 total cpu time spent up to now is 365.1 secs Computing kpt #: 453 total cpu time spent up to now is 365.9 secs Computing kpt #: 454 total cpu time spent up to now is 366.7 secs Computing kpt #: 455 total cpu time spent up to now is 367.5 secs Computing kpt #: 456 total cpu time spent up to now is 368.3 secs Computing kpt #: 457 total cpu time spent up to now is 369.1 secs Computing kpt #: 458 total cpu time spent up to now is 370.0 secs Computing kpt #: 459 total cpu time spent up to now is 370.9 secs Computing kpt #: 460 total cpu time spent up to now is 371.8 secs Computing kpt #: 461 total cpu time spent up to now is 372.7 secs Computing kpt #: 462 total cpu time spent up to now is 373.7 secs Computing kpt #: 463 total cpu time spent up to now is 374.6 secs Computing kpt #: 464 total cpu time spent up to now is 375.5 secs Computing kpt #: 465 total cpu time spent up to now is 376.4 secs Computing kpt #: 466 total cpu time spent up to now is 377.2 secs Computing kpt #: 467 total cpu time spent up to now is 378.0 secs Computing kpt #: 468 total cpu time spent up to now is 378.8 secs Computing kpt #: 469 total cpu time spent up to now is 379.6 secs Computing kpt #: 470 total cpu time spent up to now is 380.4 secs Computing kpt #: 471 total cpu time spent up to now is 381.1 secs Computing kpt #: 472 total cpu time spent up to now is 381.8 secs ethr = 3.33E-11, avg # of iterations = 33.5 total cpu time spent up to now is 381.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6341 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8509 -8.8509 -6.4346 -6.4346 -2.9238 -2.9238 1.8719 1.8719 2.3611 2.3611 3.6549 3.6549 5.6851 5.6851 6.1662 6.1662 6.2948 6.2948 9.3836 9.3836 11.6551 11.6551 11.8562 11.8562 12.5402 12.5402 15.0869 15.0869 k = 0.0116-0.0000-0.0000 ( 6339 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8499 -8.8499 -6.4344 -6.4344 -2.9260 -2.9260 1.8733 1.8733 2.3623 2.3623 3.6554 3.6554 5.6829 5.6829 6.1665 6.1665 6.2951 6.2951 9.3778 9.3778 11.6553 11.6553 11.8487 11.8487 12.5342 12.5342 15.0911 15.0911 k = 0.0233-0.0000-0.0000 ( 6339 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1804 -19.1804 -19.1380 -19.1380 -19.1258 -19.1258 -8.8469 -8.8469 -6.4339 -6.4339 -2.9327 -2.9327 1.8775 1.8775 2.3659 2.3659 3.6571 3.6571 5.6765 5.6765 6.1673 6.1673 6.2961 6.2961 9.3607 9.3607 11.6554 11.6554 11.8265 11.8265 12.5170 12.5170 15.1036 15.1036 k = 0.0349-0.0000-0.0000 ( 6339 PWs) bands (ev): -22.5941 -22.5941 -22.5583 -22.5583 -19.1802 -19.1802 -19.1381 -19.1381 -19.1258 -19.1258 -8.8419 -8.8419 -6.4329 -6.4329 -2.9438 -2.9438 1.8844 1.8844 2.3719 2.3719 3.6600 3.6600 5.6659 5.6659 6.1686 6.1686 6.2976 6.2976 9.3325 9.3325 11.6532 11.6532 11.7904 11.7904 12.4913 12.4913 15.1239 15.1239 k = 0.0465-0.0000-0.0000 ( 6345 PWs) bands (ev): -22.5941 -22.5941 -22.5584 -22.5584 -19.1800 -19.1800 -19.1382 -19.1382 -19.1258 -19.1258 -8.8349 -8.8349 -6.4315 -6.4315 -2.9593 -2.9593 1.8940 1.8940 2.3803 2.3803 3.6641 3.6641 5.6513 5.6513 6.1705 6.1705 6.2998 6.2998 9.2935 9.2935 11.6440 11.6440 11.7424 11.7424 12.4614 12.4614 15.1514 15.1514 k = 0.0581-0.0000-0.0000 ( 6349 PWs) bands (ev): -22.5940 -22.5940 -22.5584 -22.5584 -19.1797 -19.1797 -19.1383 -19.1383 -19.1257 -19.1257 -8.8260 -8.8260 -6.4298 -6.4298 -2.9791 -2.9791 1.9064 1.9064 2.3911 2.3911 3.6694 3.6694 5.6326 5.6326 6.1728 6.1728 6.3025 6.3025 9.2442 9.2442 11.6194 11.6194 11.6875 11.6875 12.4335 12.4335 15.1853 15.1853 k = 0.0698-0.0000-0.0000 ( 6345 PWs) bands (ev): -22.5938 -22.5938 -22.5584 -22.5584 -19.1793 -19.1793 -19.1385 -19.1385 -19.1257 -19.1257 -8.8150 -8.8150 -6.4277 -6.4277 -3.0032 -3.0032 1.9215 1.9215 2.4042 2.4042 3.6761 3.6761 5.6102 5.6102 6.1757 6.1757 6.3058 6.3058 9.1853 9.1853 11.5670 11.5670 11.6338 11.6338 12.4145 12.4145 15.2248 15.2248 k = 0.0814-0.0000-0.0000 ( 6341 PWs) bands (ev): -22.5937 -22.5937 -22.5584 -22.5584 -19.1789 -19.1789 -19.1388 -19.1388 -19.1256 -19.1256 -8.8021 -8.8021 -6.4253 -6.4253 -3.0313 -3.0313 1.9393 1.9393 2.4196 2.4196 3.6842 3.6842 5.5841 5.5841 6.1790 6.1790 6.3098 6.3098 9.1174 9.1174 11.4888 11.4888 11.5760 11.5760 12.4104 12.4104 15.2692 15.2692 k = 0.0930-0.0000-0.0000 ( 6337 PWs) bands (ev): -22.5935 -22.5935 -22.5584 -22.5584 -19.1784 -19.1784 -19.1390 -19.1390 -19.1256 -19.1256 -8.7873 -8.7873 -6.4225 -6.4225 -3.0635 -3.0635 1.9599 1.9599 2.4374 2.4374 3.6937 3.6937 5.5547 5.5547 6.1828 6.1828 6.3142 6.3142 9.0413 9.0413 11.3953 11.3953 11.5027 11.5027 12.4248 12.4248 15.3179 15.3179 k = 0.1047-0.0000-0.0000 ( 6349 PWs) bands (ev): -22.5934 -22.5934 -22.5584 -22.5584 -19.1779 -19.1779 -19.1393 -19.1393 -19.1255 -19.1255 -8.7706 -8.7706 -6.4194 -6.4194 -3.0996 -3.0996 1.9831 1.9831 2.4573 2.4573 3.7049 3.7049 5.5221 5.5221 6.1870 6.1870 6.3193 6.3193 8.9576 8.9576 11.2916 11.2916 11.4112 11.4112 12.4577 12.4577 15.3701 15.3701 k = 0.1163-0.0000-0.0000 ( 6345 PWs) bands (ev): -22.5932 -22.5932 -22.5584 -22.5584 -19.1773 -19.1773 -19.1396 -19.1396 -19.1254 -19.1254 -8.7521 -8.7521 -6.4160 -6.4160 -3.1394 -3.1394 2.0090 2.0090 2.4795 2.4795 3.7177 3.7177 5.4866 5.4866 6.1917 6.1917 6.3248 6.3248 8.8671 8.8671 11.1798 11.1798 11.3036 11.3036 12.5073 12.5073 15.4254 15.4254 k = 0.1279-0.0000-0.0000 ( 6349 PWs) bands (ev): -22.5929 -22.5929 -22.5584 -22.5584 -19.1766 -19.1766 -19.1399 -19.1399 -19.1253 -19.1253 -8.7317 -8.7317 -6.4122 -6.4122 -3.1828 -3.1828 2.0375 2.0375 2.5039 2.5039 3.7323 3.7323 5.4486 5.4486 6.1967 6.1967 6.3309 6.3309 8.7705 8.7705 11.0615 11.0615 11.1830 11.1830 12.5710 12.5710 15.4819 15.4819 k = 0.1395-0.0000-0.0000 ( 6353 PWs) bands (ev): -22.5927 -22.5927 -22.5585 -22.5585 -19.1760 -19.1760 -19.1403 -19.1403 -19.1252 -19.1252 -8.7095 -8.7095 -6.4082 -6.4082 -3.2296 -3.2296 2.0686 2.0686 2.5304 2.5304 3.7487 3.7487 5.4082 5.4082 6.2021 6.2021 6.3375 6.3375 8.6685 8.6685 10.9374 10.9374 11.0525 11.0525 12.6466 12.6466 15.5262 15.5262 k = 0.1512-0.0000-0.0000 ( 6354 PWs) bands (ev): -22.5925 -22.5925 -22.5585 -22.5585 -19.1752 -19.1752 -19.1407 -19.1407 -19.1251 -19.1251 -8.6856 -8.6856 -6.4039 -6.4039 -3.2796 -3.2796 2.1023 2.1023 2.5589 2.5589 3.7671 3.7671 5.3659 5.3659 6.2077 6.2077 6.3445 6.3445 8.5617 8.5617 10.8086 10.8086 10.9149 10.9149 12.7319 12.7319 15.5515 15.5515 k = 0.1628-0.0000-0.0000 ( 6358 PWs) bands (ev): -22.5922 -22.5922 -22.5585 -22.5585 -19.1745 -19.1745 -19.1411 -19.1411 -19.1250 -19.1250 -8.6600 -8.6600 -6.3994 -6.3994 -3.3326 -3.3326 2.1385 2.1385 2.5894 2.5894 3.7875 3.7875 5.3218 5.3218 6.2136 6.2136 6.3520 6.3520 8.4508 8.4508 10.6754 10.6754 10.7726 10.7726 12.8254 12.8254 15.5751 15.5751 k = 0.1744-0.0000-0.0000 ( 6360 PWs) bands (ev): -22.5919 -22.5919 -22.5585 -22.5585 -19.1737 -19.1737 -19.1415 -19.1415 -19.1249 -19.1249 -8.6327 -8.6327 -6.3947 -6.3947 -3.3884 -3.3884 2.1772 2.1772 2.6218 2.6218 3.8101 3.8101 5.2763 5.2763 6.2198 6.2198 6.3598 6.3598 8.3364 8.3364 10.5381 10.5381 10.6276 10.6276 12.9260 12.9260 15.5995 15.5995 k = 0.1860-0.0000-0.0000 ( 6356 PWs) bands (ev): -22.5917 -22.5917 -22.5585 -22.5585 -19.1729 -19.1729 -19.1419 -19.1419 -19.1248 -19.1248 -8.6039 -8.6039 -6.3898 -6.3898 -3.4468 -3.4468 2.2184 2.2184 2.6560 2.6560 3.8347 3.8347 5.2297 5.2297 6.2260 6.2260 6.3681 6.3681 8.2190 8.2190 10.3967 10.3967 10.4818 10.4818 13.0324 13.0324 15.6250 15.6250 k = 0.1977-0.0000-0.0000 ( 6360 PWs) bands (ev): -22.5914 -22.5914 -22.5585 -22.5585 -19.1721 -19.1721 -19.1423 -19.1423 -19.1247 -19.1247 -8.5735 -8.5735 -6.3847 -6.3847 -3.5074 -3.5074 2.2621 2.2621 2.6920 2.6920 3.8616 3.8616 5.1823 5.1823 6.2324 6.2324 6.3767 6.3767 8.0993 8.0993 10.2513 10.2513 10.3370 10.3370 13.1439 13.1439 15.6516 15.6516 k = 0.2093-0.0000-0.0000 ( 6374 PWs) bands (ev): -22.5911 -22.5911 -22.5586 -22.5586 -19.1712 -19.1712 -19.1427 -19.1427 -19.1245 -19.1245 -8.5418 -8.5418 -6.3794 -6.3794 -3.5701 -3.5701 2.3080 2.3080 2.7295 2.7295 3.8907 3.8907 5.1343 5.1343 6.2387 6.2387 6.3857 6.3857 7.9776 7.9776 10.1023 10.1023 10.1941 10.1941 13.2597 13.2597 15.6794 15.6794 k = 0.2209-0.0000-0.0000 ( 6378 PWs) bands (ev): -22.5908 -22.5908 -22.5586 -22.5586 -19.1704 -19.1704 -19.1431 -19.1431 -19.1244 -19.1244 -8.5087 -8.5087 -6.3741 -6.3741 -3.6346 -3.6346 2.3563 2.3563 2.7686 2.7686 3.9221 3.9221 5.0861 5.0861 6.2449 6.2449 6.3949 6.3949 7.8547 7.8547 9.9505 9.9505 10.0534 10.0534 13.3790 13.3790 15.7082 15.7082 k = 0.2326-0.0000-0.0000 ( 6370 PWs) bands (ev): -22.5905 -22.5905 -22.5586 -22.5586 -19.1696 -19.1696 -19.1435 -19.1435 -19.1242 -19.1242 -8.4743 -8.4743 -6.3686 -6.3686 -3.7007 -3.7007 2.4068 2.4068 2.8091 2.8091 3.9557 3.9557 5.0379 5.0379 6.2509 6.2509 6.4044 6.4044 7.7309 7.7309 9.7972 9.7972 9.9150 9.9150 13.5013 13.5013 15.7379 15.7379 k = 0.2442-0.0000-0.0000 ( 6376 PWs) bands (ev): -22.5902 -22.5902 -22.5586 -22.5586 -19.1688 -19.1688 -19.1439 -19.1439 -19.1241 -19.1241 -8.4389 -8.4389 -6.3631 -6.3631 -3.7680 -3.7680 2.4594 2.4594 2.8507 2.8507 3.9915 3.9915 4.9900 4.9900 6.2564 6.2564 6.4142 6.4142 7.6069 7.6069 9.6433 9.6433 9.7787 9.7787 13.6258 13.6258 15.7686 15.7686 k = 0.2558-0.0000-0.0000 ( 6372 PWs) bands (ev): -22.5899 -22.5899 -22.5586 -22.5586 -19.1680 -19.1680 -19.1443 -19.1443 -19.1239 -19.1239 -8.4024 -8.4024 -6.3575 -6.3575 -3.8362 -3.8362 2.5141 2.5141 2.8935 2.8935 4.0295 4.0295 4.9427 4.9427 6.2614 6.2614 6.4241 6.4241 7.4830 7.4830 9.4898 9.4898 9.6447 9.6447 13.7520 13.7520 15.8000 15.8000 k = 0.2674-0.0000-0.0000 ( 6366 PWs) bands (ev): -22.5896 -22.5896 -22.5587 -22.5587 -19.1672 -19.1672 -19.1446 -19.1446 -19.1238 -19.1238 -8.3651 -8.3651 -6.3520 -6.3520 -3.9050 -3.9050 2.5708 2.5708 2.9372 2.9372 4.0696 4.0696 4.8962 4.8962 6.2655 6.2655 6.4342 6.4342 7.3601 7.3601 9.3372 9.3372 9.5130 9.5130 13.8795 13.8795 15.8320 15.8320 k = 0.2791-0.0000-0.0000 ( 6366 PWs) bands (ev): -22.5893 -22.5893 -22.5587 -22.5587 -19.1665 -19.1665 -19.1449 -19.1449 -19.1236 -19.1236 -8.3270 -8.3270 -6.3464 -6.3464 -3.9742 -3.9742 2.6294 2.6294 2.9816 2.9816 4.1117 4.1117 4.8508 4.8508 6.2682 6.2682 6.4445 6.4445 7.2387 7.2387 9.1862 9.1862 9.3840 9.3840 14.0076 14.0076 15.8645 15.8645 k = 0.2907-0.0000-0.0000 ( 6362 PWs) bands (ev): -22.5890 -22.5890 -22.5587 -22.5587 -19.1658 -19.1658 -19.1452 -19.1452 -19.1235 -19.1235 -8.2883 -8.2883 -6.3409 -6.3409 -4.0435 -4.0435 2.6896 2.6896 3.0266 3.0266 4.1557 4.1557 4.8068 4.8068 6.2690 6.2690 6.4548 6.4548 7.1198 7.1198 9.0373 9.0373 9.2578 9.2578 14.1360 14.1360 15.8974 15.8974 k = 0.3023-0.0000-0.0000 ( 6366 PWs) bands (ev): -22.5887 -22.5887 -22.5587 -22.5587 -19.1652 -19.1652 -19.1454 -19.1454 -19.1233 -19.1233 -8.2493 -8.2493 -6.3355 -6.3355 -4.1123 -4.1123 2.7514 2.7514 3.0718 3.0718 4.2012 4.2012 4.7644 4.7644 6.2670 6.2670 6.4652 6.4652 7.0047 7.0047 8.8909 8.8909 9.1348 9.1348 14.2642 14.2642 15.9305 15.9305 k = 0.3140-0.0000-0.0000 ( 6366 PWs) bands (ev): -22.5885 -22.5885 -22.5587 -22.5587 -19.1646 -19.1646 -19.1456 -19.1456 -19.1232 -19.1232 -8.2101 -8.2101 -6.3302 -6.3302 -4.1805 -4.1805 2.8147 2.8147 3.1171 3.1171 4.2481 4.2481 4.7240 4.7240 6.2606 6.2606 6.4756 6.4756 6.8951 6.8951 8.7475 8.7475 9.0153 9.0153 14.3919 14.3919 15.9636 15.9636 k = 0.3256-0.0000-0.0000 ( 6374 PWs) bands (ev): -22.5882 -22.5882 -22.5587 -22.5587 -19.1641 -19.1641 -19.1457 -19.1457 -19.1230 -19.1230 -8.1709 -8.1709 -6.3251 -6.3251 -4.2477 -4.2477 2.8791 2.8791 3.1622 3.1622 4.2958 4.2958 4.6862 4.6862 6.2476 6.2476 6.4860 6.4860 6.7936 6.7936 8.6075 8.6075 8.8997 8.8997 14.5186 14.5186 15.9965 15.9965 k = 0.3372-0.0000-0.0000 ( 6370 PWs) bands (ev): -22.5879 -22.5879 -22.5588 -22.5588 -19.1637 -19.1637 -19.1458 -19.1458 -19.1229 -19.1229 -8.1320 -8.1320 -6.3201 -6.3201 -4.3135 -4.3135 2.9445 2.9445 3.2069 3.2069 4.3433 4.3433 4.6517 4.6517 6.2245 6.2245 6.4963 6.4963 6.7041 6.7041 8.4713 8.4713 8.7884 8.7884 14.6441 14.6441 16.0290 16.0290 k = 0.3488-0.0000-0.0000 ( 6374 PWs) bands (ev): -22.5877 -22.5877 -22.5588 -22.5588 -19.1633 -19.1633 -19.1458 -19.1458 -19.1227 -19.1227 -8.0937 -8.0937 -6.3153 -6.3153 -4.3774 -4.3774 3.0105 3.0105 3.2507 3.2507 4.3891 4.3891 4.6224 4.6224 6.1874 6.1874 6.5063 6.5063 6.6308 6.6308 8.3394 8.3394 8.6816 8.6816 14.7680 14.7680 16.0609 16.0609 k = 0.3605-0.0000-0.0000 ( 6372 PWs) bands (ev): -22.5875 -22.5875 -22.5588 -22.5588 -19.1630 -19.1630 -19.1458 -19.1458 -19.1226 -19.1226 -8.0561 -8.0561 -6.3107 -6.3107 -4.4392 -4.4392 3.0768 3.0768 3.2935 3.2935 4.4288 4.4288 4.6020 4.6020 6.1336 6.1336 6.5159 6.5159 6.5771 6.5771 8.2122 8.2122 8.5799 8.5799 14.8900 14.8900 16.0919 16.0919 k = 0.3721-0.0000-0.0000 ( 6376 PWs) bands (ev): -22.5873 -22.5873 -22.5588 -22.5588 -19.1627 -19.1627 -19.1457 -19.1457 -19.1225 -19.1225 -8.0197 -8.0197 -6.3064 -6.3064 -4.4983 -4.4983 3.1431 3.1431 3.3348 3.3348 4.4538 4.4538 4.5993 4.5993 6.0645 6.0645 6.5228 6.5228 6.5441 6.5441 8.0903 8.0903 8.4836 8.4836 15.0099 15.0099 16.1218 16.1218 k = 0.3837-0.0000-0.0000 ( 6376 PWs) bands (ev): -22.5871 -22.5871 -22.5588 -22.5588 -19.1625 -19.1625 -19.1457 -19.1457 -19.1223 -19.1223 -7.9847 -7.9847 -6.3024 -6.3024 -4.5544 -4.5544 3.2087 3.2087 3.3743 3.3743 4.4568 4.4568 4.6211 4.6211 5.9845 5.9845 6.5144 6.5144 6.5403 6.5403 7.9743 7.9743 8.3933 8.3933 15.1272 15.1272 16.1504 16.1504 k = 0.3953-0.0000-0.0000 ( 6376 PWs) bands (ev): -22.5869 -22.5869 -22.5588 -22.5588 -19.1624 -19.1624 -19.1455 -19.1455 -19.1222 -19.1222 -7.9515 -7.9515 -6.2986 -6.2986 -4.6070 -4.6070 3.2730 3.2730 3.4116 3.4116 4.4451 4.4451 4.6600 4.6600 5.8988 5.8988 6.5036 6.5036 6.5482 6.5482 7.8648 7.8648 8.3093 8.3093 15.2417 15.2417 16.1774 16.1774 k = 0.4070-0.0000-0.0000 ( 6372 PWs) bands (ev): -22.5867 -22.5867 -22.5588 -22.5588 -19.1623 -19.1623 -19.1454 -19.1454 -19.1221 -19.1221 -7.9204 -7.9204 -6.2952 -6.2952 -4.6556 -4.6556 3.3354 3.3354 3.4464 3.4464 4.4283 4.4283 4.7060 4.7060 5.8112 5.8112 6.4979 6.4979 6.5568 6.5568 7.7626 7.7626 8.2322 8.2322 15.3528 15.3528 16.2025 16.2025 k = 0.4186-0.0000-0.0000 ( 6390 PWs) bands (ev): -22.5866 -22.5866 -22.5588 -22.5588 -19.1622 -19.1622 -19.1453 -19.1453 -19.1220 -19.1220 -7.8918 -7.8918 -6.2921 -6.2921 -4.6999 -4.6999 3.3949 3.3949 3.4784 3.4784 4.4108 4.4108 4.7541 4.7541 5.7247 5.7247 6.4959 6.4959 6.5652 6.5652 7.6685 7.6685 8.1624 8.1624 15.4597 15.4597 16.2254 16.2254 k = 0.4302-0.0000-0.0000 ( 6400 PWs) bands (ev): -22.5864 -22.5864 -22.5588 -22.5588 -19.1622 -19.1622 -19.1451 -19.1451 -19.1220 -19.1220 -7.8662 -7.8662 -6.2894 -6.2894 -4.7394 -4.7394 3.4503 3.4503 3.5071 3.5071 4.3944 4.3944 4.8023 4.8023 5.6415 5.6415 6.4964 6.4964 6.5730 6.5730 7.5834 7.5834 8.1006 8.1006 15.5617 15.5617 16.2459 16.2459 k = 0.4419-0.0000-0.0000 ( 6400 PWs) bands (ev): -22.5863 -22.5863 -22.5588 -22.5588 -19.1621 -19.1621 -19.1450 -19.1450 -19.1219 -19.1219 -7.8437 -7.8437 -6.2871 -6.2871 -4.7736 -4.7736 3.5001 3.5001 3.5328 3.5328 4.3799 4.3799 4.8489 4.8489 5.5634 5.5634 6.4982 6.4982 6.5800 6.5800 7.5085 7.5085 8.0471 8.0471 15.6574 15.6574 16.2637 16.2637 k = 0.4535-0.0000-0.0000 ( 6392 PWs) bands (ev): -22.5862 -22.5862 -22.5588 -22.5588 -19.1621 -19.1621 -19.1449 -19.1449 -19.1218 -19.1218 -7.8248 -7.8248 -6.2851 -6.2851 -4.8022 -4.8022 3.5408 3.5408 3.5571 3.5571 4.3677 4.3677 4.8930 4.8930 5.4921 5.4921 6.5009 6.5009 6.5861 6.5861 7.4449 7.4449 8.0026 8.0026 15.7447 15.7447 16.2786 16.2786 k = 0.4651-0.0000-0.0000 ( 6404 PWs) bands (ev): -22.5862 -22.5862 -22.5588 -22.5588 -19.1621 -19.1621 -19.1448 -19.1448 -19.1218 -19.1218 -7.8098 -7.8098 -6.2836 -6.2836 -4.8248 -4.8248 3.5648 3.5648 3.5861 3.5861 4.3581 4.3581 4.9331 4.9331 5.4299 5.4299 6.5037 6.5037 6.5911 6.5911 7.3937 7.3937 7.9674 7.9674 15.8207 15.8207 16.2904 16.2904 k = 0.4767-0.0000-0.0000 ( 6412 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7988 -7.7988 -6.2825 -6.2825 -4.8412 -4.8412 3.5782 3.5782 3.6120 3.6120 4.3512 4.3512 4.9669 4.9669 5.3796 5.3796 6.5062 6.5062 6.5948 6.5948 7.3561 7.3561 7.9420 7.9420 15.8813 15.8813 16.2990 16.2990 k = 0.4884-0.0000-0.0000 ( 6420 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7922 -7.7922 -6.2818 -6.2818 -4.8511 -4.8511 3.5858 3.5858 3.6285 3.6285 4.3470 4.3470 4.9906 4.9906 5.3457 5.3457 6.5079 6.5079 6.5970 6.5970 7.3331 7.3331 7.9266 7.9266 15.9212 15.9212 16.3042 16.3042 k = 0.5000-0.0000-0.0000 ( 6416 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7900 -7.7900 -6.2816 -6.2816 -4.8544 -4.8544 3.5883 3.5883 3.6341 3.6341 4.3456 4.3456 4.9994 4.9994 5.3335 5.3335 6.5085 6.5085 6.5978 6.5978 7.3254 7.3254 7.9214 7.9214 15.9352 15.9352 16.3059 16.3059 k = 0.5000-0.0000-0.0000 ( 6416 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7900 -7.7900 -6.2816 -6.2816 -4.8544 -4.8544 3.5883 3.5883 3.6341 3.6341 4.3456 4.3456 4.9994 4.9994 5.3335 5.3335 6.5085 6.5085 6.5978 6.5978 7.3254 7.3254 7.9214 7.9214 15.9352 15.9352 16.3059 16.3059 k = 0.5000 0.0114-0.0000 ( 6408 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7893 -7.7893 -6.2822 -6.2822 -4.8538 -4.8538 3.5871 3.5871 3.6303 3.6303 4.3368 4.3368 4.9998 4.9998 5.3382 5.3382 6.5063 6.5063 6.5950 6.5950 7.3351 7.3351 7.9283 7.9283 15.9387 15.9387 16.3094 16.3094 k = 0.5000 0.0228-0.0000 ( 6414 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7871 -7.7871 -6.2839 -6.2839 -4.8520 -4.8520 3.5803 3.5803 3.6219 3.6219 4.3113 4.3113 5.0004 5.0004 5.3523 5.3523 6.5000 6.5000 6.5869 6.5869 7.3631 7.3631 7.9493 7.9493 15.9494 15.9494 16.3199 16.3199 k = 0.5000 0.0342-0.0000 ( 6410 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1622 -19.1622 -19.1447 -19.1447 -19.1217 -19.1217 -7.7835 -7.7835 -6.2868 -6.2868 -4.8491 -4.8491 3.5603 3.5603 3.6174 3.6174 4.2711 4.2711 4.9998 4.9998 5.3753 5.3753 6.4906 6.4906 6.5748 6.5748 7.4062 7.4062 7.9848 7.9848 15.9672 15.9672 16.3373 16.3373 k = 0.5000 0.0456-0.0000 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1622 -19.1622 -19.1446 -19.1446 -19.1217 -19.1217 -7.7784 -7.7784 -6.2908 -6.2908 -4.8450 -4.8450 3.5253 3.5253 3.6192 3.6192 4.2184 4.2184 4.9969 4.9969 5.4056 5.4056 6.4795 6.4795 6.5598 6.5598 7.4606 7.4606 8.0354 8.0354 15.9920 15.9920 16.3617 16.3617 k = 0.5000 0.0570-0.0000 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1623 -19.1623 -19.1446 -19.1446 -19.1216 -19.1216 -7.7719 -7.7719 -6.2959 -6.2959 -4.8397 -4.8397 3.4791 3.4791 3.6250 3.6250 4.1556 4.1556 4.9916 4.9916 5.4411 5.4411 6.4679 6.4679 6.5429 6.5429 7.5225 7.5225 8.1015 8.1015 16.0238 16.0238 16.3928 16.3928 k = 0.5000 0.0684-0.0000 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1623 -19.1623 -19.1446 -19.1446 -19.1216 -19.1216 -7.7640 -7.7640 -6.3022 -6.3022 -4.8334 -4.8334 3.4241 3.4241 3.6332 3.6332 4.0846 4.0846 4.9844 4.9844 5.4790 5.4790 6.4563 6.4563 6.5255 6.5255 7.5893 7.5893 8.1829 8.1829 16.0622 16.0622 16.4306 16.4306 k = 0.5000 0.0798-0.0000 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1624 -19.1624 -19.1446 -19.1446 -19.1215 -19.1215 -7.7548 -7.7548 -6.3096 -6.3096 -4.8259 -4.8259 3.3622 3.3622 3.6433 3.6433 4.0070 4.0070 4.9762 4.9762 5.5168 5.5168 6.4437 6.4437 6.5099 6.5099 7.6594 7.6594 8.2789 8.2789 16.1073 16.1073 16.4750 16.4750 k = 0.5000 0.0912-0.0000 ( 6394 PWs) bands (ev): -22.5862 -22.5862 -22.5588 -22.5588 -19.1625 -19.1625 -19.1446 -19.1446 -19.1215 -19.1215 -7.7441 -7.7441 -6.3181 -6.3181 -4.8175 -4.8175 3.2947 3.2947 3.6550 3.6550 3.9245 3.9245 4.9677 4.9677 5.5520 5.5520 6.4271 6.4271 6.5000 6.5000 7.7324 7.7324 8.3880 8.3880 16.1586 16.1586 16.4520 16.4520 k = 0.5000 0.1026-0.0000 ( 6384 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1626 -19.1626 -19.1446 -19.1446 -19.1214 -19.1214 -7.7320 -7.7320 -6.3278 -6.3278 -4.8080 -4.8080 3.2228 3.2228 3.6676 3.6676 3.8386 3.8386 4.9596 4.9596 5.5828 5.5828 6.4041 6.4041 6.4986 6.4986 7.8084 7.8084 8.5083 8.5083 16.2157 16.2157 16.4047 16.4047 k = 0.5000 0.1140-0.0000 ( 6384 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1627 -19.1627 -19.1446 -19.1446 -19.1214 -19.1214 -7.7187 -7.7187 -6.3386 -6.3386 -4.7975 -4.7975 3.1476 3.1476 3.6777 3.6777 3.7541 3.7541 4.9522 4.9522 5.6082 5.6082 6.3754 6.3754 6.5055 6.5055 7.8879 7.8879 8.6378 8.6378 16.2757 16.2757 16.3596 16.3596 k = 0.5000 0.1254-0.0000 ( 6388 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1629 -19.1629 -19.1446 -19.1446 -19.1213 -19.1213 -7.7040 -7.7040 -6.3506 -6.3506 -4.7862 -4.7862 3.0698 3.0698 3.6425 3.6425 3.7147 3.7147 4.9457 4.9457 5.6273 5.6273 6.3421 6.3421 6.5191 6.5191 7.9713 7.9713 8.7747 8.7747 16.2940 16.2940 16.3619 16.3619 k = 0.5000 0.1368-0.0000 ( 6384 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1630 -19.1630 -19.1446 -19.1446 -19.1212 -19.1212 -7.6880 -7.6880 -6.3636 -6.3636 -4.7741 -4.7741 2.9904 2.9904 3.5560 3.5560 3.7272 3.7272 4.9402 4.9402 5.6402 5.6402 6.3054 6.3054 6.5380 6.5380 8.0592 8.0592 8.9173 8.9173 16.2514 16.2514 16.4312 16.4312 k = 0.5000 0.1482-0.0000 ( 6384 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1631 -19.1631 -19.1445 -19.1445 -19.1211 -19.1211 -7.6708 -7.6708 -6.3778 -6.3778 -4.7611 -4.7611 2.9097 2.9097 3.4646 3.4646 3.7463 3.7463 4.9356 4.9356 5.6471 5.6471 6.2658 6.2658 6.5608 6.5608 8.1515 8.1515 9.0641 9.0641 16.2050 16.2050 16.5104 16.5104 k = 0.5000 0.1595-0.0000 ( 6392 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1633 -19.1633 -19.1445 -19.1445 -19.1210 -19.1210 -7.6523 -7.6523 -6.3930 -6.3930 -4.7475 -4.7475 2.8285 2.8285 3.3732 3.3732 3.7676 3.7676 4.9320 4.9320 5.6486 5.6486 6.2238 6.2238 6.5865 6.5865 8.2482 8.2482 9.2139 9.2139 16.1595 16.1595 16.5947 16.5947 k = 0.5000 0.1709-0.0000 ( 6380 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1634 -19.1634 -19.1445 -19.1445 -19.1209 -19.1209 -7.6327 -7.6327 -6.4094 -6.4094 -4.7333 -4.7333 2.7471 2.7471 3.2830 3.2830 3.7908 3.7908 4.9292 4.9292 5.6456 5.6456 6.1796 6.1796 6.6140 6.6140 8.3491 8.3491 9.3655 9.3655 16.1159 16.1159 16.6730 16.6730 k = 0.5000 0.1823-0.0000 ( 6386 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1636 -19.1636 -19.1445 -19.1445 -19.1208 -19.1208 -7.6119 -7.6119 -6.4268 -6.4268 -4.7185 -4.7185 2.6659 2.6659 3.1949 3.1949 3.8155 3.8155 4.9272 4.9272 5.6387 5.6387 6.1336 6.1336 6.6426 6.6426 8.4538 8.4538 9.5178 9.5178 16.0747 16.0747 16.5941 16.5941 k = 0.5000 0.1937-0.0000 ( 6386 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1638 -19.1638 -19.1445 -19.1445 -19.1207 -19.1207 -7.5900 -7.5900 -6.4453 -6.4453 -4.7033 -4.7033 2.5853 2.5853 3.1094 3.1094 3.8417 3.8417 4.9259 4.9259 5.6288 5.6288 6.0859 6.0859 6.6715 6.6715 8.5617 8.5617 9.6700 9.6700 16.0363 16.0363 16.4914 16.4914 k = 0.5000 0.2051-0.0000 ( 6386 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1639 -19.1639 -19.1445 -19.1445 -19.1206 -19.1206 -7.5671 -7.5671 -6.4648 -6.4648 -4.6878 -4.6878 2.5056 2.5056 3.0270 3.0270 3.8692 3.8692 4.9251 4.9251 5.6165 5.6165 6.0369 6.0369 6.7003 6.7003 8.6723 8.6723 9.8210 9.8210 16.0009 16.0009 16.3915 16.3915 k = 0.5000 0.2165-0.0000 ( 6382 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1641 -19.1641 -19.1444 -19.1444 -19.1205 -19.1205 -7.5431 -7.5431 -6.4853 -6.4853 -4.6720 -4.6720 2.4272 2.4272 2.9481 2.9481 3.8980 3.8980 4.9248 4.9248 5.6024 5.6024 5.9867 5.9867 6.7284 6.7284 8.7848 8.7848 9.9701 9.9701 15.9685 15.9685 16.2956 16.2956 k = 0.5000 0.2279-0.0000 ( 6390 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1643 -19.1643 -19.1444 -19.1444 -19.1204 -19.1204 -7.5182 -7.5182 -6.5068 -6.5068 -4.6561 -4.6561 2.3504 2.3504 2.8730 2.8730 3.9279 3.9279 4.9249 4.9249 5.5870 5.5870 5.9356 5.9356 6.7557 6.7557 8.8985 8.8985 10.1165 10.1165 15.9392 15.9392 16.2044 16.2044 k = 0.5000 0.2393-0.0000 ( 6394 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1645 -19.1645 -19.1444 -19.1444 -19.1203 -19.1203 -7.4924 -7.4924 -6.5293 -6.5293 -4.6402 -4.6402 2.2757 2.2757 2.8019 2.8019 3.9590 3.9590 4.9254 4.9254 5.5708 5.5708 5.8839 5.8839 6.7819 6.7819 9.0127 9.0127 10.2593 10.2593 15.9121 15.9121 16.1191 16.1191 k = 0.5000 0.2507-0.0000 ( 6372 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1646 -19.1646 -19.1444 -19.1444 -19.1202 -19.1202 -7.4657 -7.4657 -6.5527 -6.5527 -4.6245 -4.6245 2.2032 2.2032 2.7350 2.7350 3.9910 3.9910 4.9261 4.9261 5.5541 5.5541 5.8317 5.8317 6.8070 6.8070 9.1264 9.1264 10.3978 10.3978 15.8854 15.8854 16.0421 16.0421 k = 0.5000 0.2621-0.0000 ( 6376 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1648 -19.1648 -19.1444 -19.1444 -19.1201 -19.1201 -7.4382 -7.4382 -6.5770 -6.5770 -4.6089 -4.6089 2.1334 2.1334 2.6723 2.6723 4.0239 4.0239 4.9271 4.9271 5.5372 5.5372 5.7794 5.7794 6.8306 6.8306 9.2389 9.2389 10.5312 10.5312 15.8542 15.8542 15.9784 15.9784 k = 0.5000 0.2735-0.0000 ( 6376 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1650 -19.1650 -19.1444 -19.1444 -19.1200 -19.1200 -7.4100 -7.4100 -6.6022 -6.6022 -4.5937 -4.5937 2.0667 2.0667 2.6139 2.6139 4.0574 4.0574 4.9282 4.9282 5.5205 5.5205 5.7273 5.7273 6.8530 6.8530 9.3493 9.3493 10.6587 10.6587 15.8114 15.8114 15.9355 15.9355 k = 0.5000 0.2849-0.0000 ( 6390 PWs) bands (ev): -22.5866 -22.5866 -22.5582 -22.5582 -19.1651 -19.1651 -19.1443 -19.1443 -19.1199 -19.1199 -7.3811 -7.3811 -6.6282 -6.6282 -4.5790 -4.5790 2.0034 2.0034 2.5599 2.5599 4.0915 4.0915 4.9294 4.9294 5.5040 5.5040 5.6757 5.6757 6.8738 6.8738 9.4567 9.4567 10.7797 10.7797 15.7573 15.7573 15.9129 15.9129 k = 0.5000 0.2963-0.0000 ( 6382 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1653 -19.1653 -19.1443 -19.1443 -19.1199 -19.1199 -7.3516 -7.3516 -6.6549 -6.6549 -4.5648 -4.5648 1.9438 1.9438 2.5103 2.5103 4.1258 4.1258 4.9306 4.9306 5.4881 5.4881 5.6249 5.6249 6.8932 6.8932 9.5602 9.5602 10.8935 10.8935 15.6994 15.6994 15.9032 15.9032 k = 0.5000 0.3077-0.0000 ( 6386 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1654 -19.1654 -19.1443 -19.1443 -19.1198 -19.1198 -7.3216 -7.3216 -6.6824 -6.6824 -4.5514 -4.5514 1.8882 1.8882 2.4651 2.4651 4.1601 4.1601 4.9319 4.9319 5.4728 5.4728 5.5755 5.5755 6.9110 6.9110 9.6588 9.6588 10.9995 10.9995 15.6429 15.6429 15.9010 15.9010 k = 0.5000 0.3191-0.0000 ( 6386 PWs) bands (ev): -22.5867 -22.5867 -22.5581 -22.5581 -19.1655 -19.1655 -19.1443 -19.1443 -19.1197 -19.1197 -7.2911 -7.2911 -6.7104 -6.7104 -4.5389 -4.5389 1.8370 1.8370 2.4243 2.4243 4.1942 4.1942 4.9332 4.9332 5.4579 5.4579 5.5281 5.5281 6.9272 6.9272 9.7518 9.7518 11.0971 11.0971 15.5899 15.5899 15.9039 15.9039 k = 0.5000 0.3305-0.0000 ( 6390 PWs) bands (ev): -22.5867 -22.5867 -22.5581 -22.5581 -19.1656 -19.1656 -19.1443 -19.1443 -19.1196 -19.1196 -7.2603 -7.2603 -6.7391 -6.7391 -4.5273 -4.5273 1.7904 1.7904 2.3878 2.3878 4.2275 4.2275 4.9344 4.9344 5.4423 5.4423 5.4845 5.4845 6.9419 6.9419 9.8380 9.8380 11.1858 11.1858 15.5414 15.5414 15.9104 15.9104 k = 0.5000 0.3419-0.0000 ( 6382 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1658 -19.1658 -19.1443 -19.1443 -19.1196 -19.1196 -7.2292 -7.2292 -6.7682 -6.7682 -4.5168 -4.5168 1.7487 1.7487 2.3556 2.3556 4.2596 4.2596 4.9356 4.9356 5.4206 5.4206 5.4508 5.4508 6.9549 6.9549 9.9167 9.9167 11.2650 11.2650 15.4979 15.4979 15.9194 15.9194 k = 0.5000 0.3533-0.0000 ( 6382 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1658 -19.1658 -19.1443 -19.1443 -19.1195 -19.1195 -7.1981 -7.1981 -6.7977 -6.7977 -4.5074 -4.5074 1.7120 1.7120 2.3278 2.3278 4.2899 4.2899 4.9366 4.9366 5.3878 5.3878 5.4327 5.4327 6.9662 6.9662 9.9870 9.9870 11.3345 11.3345 15.4599 15.4599 15.9299 15.9299 k = 0.5000 0.3647-0.0000 ( 6388 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1659 -19.1659 -19.1442 -19.1442 -19.1194 -19.1194 -7.1670 -7.1670 -6.8273 -6.8273 -4.4993 -4.4993 1.6807 1.6807 2.3043 2.3043 4.3178 4.3178 4.9376 4.9376 5.3533 5.3533 5.4218 5.4218 6.9758 6.9758 10.0480 10.0480 11.3938 11.3938 15.4274 15.4274 15.9409 15.9409 k = 0.5000 0.3761-0.0000 ( 6384 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1660 -19.1660 -19.1442 -19.1442 -19.1194 -19.1194 -7.1363 -7.1363 -6.8568 -6.8568 -4.4926 -4.4926 1.6548 1.6548 2.2851 2.2851 4.3424 4.3424 4.9385 4.9385 5.3222 5.3222 5.4136 5.4136 6.9838 6.9838 10.0990 10.0990 11.4427 11.4427 15.4006 15.4006 15.9515 15.9515 k = 0.5000 0.3875-0.0000 ( 6384 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1194 -19.1194 -7.1065 -7.1065 -6.8856 -6.8856 -4.4873 -4.4873 1.6346 1.6346 2.2701 2.2701 4.3628 4.3628 4.9392 4.9392 5.2964 5.2964 5.4075 5.4075 6.9900 6.9900 10.1394 10.1394 11.4810 11.4810 15.3797 15.3797 15.9608 15.9608 k = 0.5000 0.3989-0.0000 ( 6388 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0789 -7.0789 -6.9125 -6.9125 -4.4835 -4.4835 1.6200 1.6200 2.2595 2.2595 4.3782 4.3782 4.9397 4.9397 5.2771 5.2771 5.4031 5.4031 6.9944 6.9944 10.1687 10.1687 11.5084 11.5084 15.3647 15.3647 15.9681 15.9681 k = 0.5000 0.4103-0.0000 ( 6400 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0567 -7.0567 -6.9344 -6.9344 -4.4811 -4.4811 1.6112 1.6112 2.2531 2.2531 4.3878 4.3878 4.9400 4.9400 5.2650 5.2650 5.4005 5.4005 6.9970 6.9970 10.1864 10.1864 11.5249 11.5249 15.3556 15.3556 15.9727 15.9727 k = 0.5000 0.4217-0.0000 ( 6416 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0472 -7.0472 -6.9437 -6.9437 -4.4804 -4.4804 1.6083 1.6083 2.2510 2.2510 4.3911 4.3911 4.9401 4.9401 5.2610 5.2610 5.3997 5.3997 6.9979 6.9979 10.1924 10.1924 11.5304 11.5304 15.3526 15.3526 15.9743 15.9743 k = 0.5000 0.4217-0.0000 ( 6416 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0472 -7.0472 -6.9437 -6.9437 -4.4804 -4.4804 1.6083 1.6083 2.2510 2.2510 4.3911 4.3911 4.9401 4.9401 5.2610 5.2610 5.3997 5.3997 6.9979 6.9979 10.1924 10.1924 11.5304 11.5304 15.3526 15.3526 15.9743 15.9743 k = 0.4884 0.4217-0.0000 ( 6400 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0478 -7.0478 -6.9454 -6.9454 -4.4789 -4.4789 1.6107 1.6107 2.2528 2.2528 4.3873 4.3873 4.9420 4.9420 5.2606 5.2606 5.3992 5.3992 7.0033 7.0033 10.1922 10.1922 11.5283 11.5283 15.3550 15.3550 15.9717 15.9717 k = 0.4767 0.4217-0.0000 ( 6404 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1661 -19.1661 -19.1443 -19.1443 -19.1193 -19.1193 -7.0497 -7.0497 -6.9506 -6.9506 -4.4744 -4.4744 1.6178 1.6178 2.2585 2.2585 4.3758 4.3758 4.9476 4.9476 5.2595 5.2595 5.3977 5.3977 7.0192 7.0192 10.1917 10.1917 11.5221 11.5221 15.3623 15.3623 15.9641 15.9641 k = 0.4651 0.4217-0.0000 ( 6396 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1661 -19.1661 -19.1444 -19.1444 -19.1194 -19.1194 -7.0528 -7.0528 -6.9591 -6.9591 -4.4671 -4.4671 1.6297 1.6297 2.2679 2.2679 4.3570 4.3570 4.9569 4.9569 5.2577 5.2577 5.3953 5.3953 7.0452 7.0452 10.1910 10.1910 11.5116 11.5116 15.3743 15.3743 15.9520 15.9520 k = 0.4535 0.4217-0.0000 ( 6394 PWs) bands (ev): -22.5870 -22.5870 -22.5580 -22.5580 -19.1660 -19.1660 -19.1445 -19.1445 -19.1194 -19.1194 -7.0572 -7.0572 -6.9708 -6.9708 -4.4569 -4.4569 1.6462 1.6462 2.2811 2.2811 4.3314 4.3314 4.9698 4.9698 5.2551 5.2551 5.3919 5.3919 7.0808 7.0808 10.1900 10.1900 11.4968 11.4968 15.3911 15.3911 15.9358 15.9358 k = 0.4419 0.4217-0.0000 ( 6386 PWs) bands (ev): -22.5871 -22.5871 -22.5580 -22.5580 -19.1659 -19.1659 -19.1447 -19.1447 -19.1194 -19.1194 -7.0628 -7.0628 -6.9856 -6.9856 -4.4442 -4.4442 1.6674 1.6674 2.2981 2.2981 4.2997 4.2997 4.9863 4.9863 5.2519 5.2519 5.3876 5.3876 7.1253 7.1253 10.1887 10.1887 11.4778 11.4778 15.4127 15.4127 15.9166 15.9166 k = 0.4302 0.4217-0.0000 ( 6386 PWs) bands (ev): -22.5872 -22.5872 -22.5580 -22.5580 -19.1659 -19.1659 -19.1448 -19.1448 -19.1195 -19.1195 -7.0696 -7.0696 -7.0032 -7.0032 -4.4292 -4.4292 1.6931 1.6931 2.3189 2.3189 4.2625 4.2625 5.0063 5.0063 5.2480 5.2480 5.3824 5.3824 7.1776 7.1776 10.1874 10.1874 11.4545 11.4545 15.4389 15.4389 15.8952 15.8952 k = 0.4186 0.4217-0.0000 ( 6382 PWs) bands (ev): -22.5873 -22.5873 -22.5580 -22.5580 -19.1658 -19.1658 -19.1450 -19.1450 -19.1195 -19.1195 -7.0775 -7.0775 -7.0234 -7.0234 -4.4119 -4.4119 1.7233 1.7233 2.3437 2.3437 4.2206 4.2206 5.0295 5.0295 5.2434 5.2434 5.3765 5.3765 7.2368 7.2368 10.1860 10.1860 11.4269 11.4269 15.4698 15.4698 15.8724 15.8724 k = 0.4070 0.4217-0.0000 ( 6380 PWs) bands (ev): -22.5874 -22.5874 -22.5580 -22.5580 -19.1658 -19.1658 -19.1452 -19.1452 -19.1196 -19.1196 -7.0865 -7.0865 -7.0460 -7.0460 -4.3928 -4.3928 1.7579 1.7579 2.3725 2.3725 4.1749 4.1749 5.0558 5.0558 5.2383 5.2383 5.3699 5.3699 7.3020 7.3020 10.1847 10.1847 11.3949 11.3949 15.5053 15.5053 15.8492 15.8492 k = 0.3953 0.4217-0.0000 ( 6384 PWs) bands (ev): -22.5875 -22.5875 -22.5579 -22.5579 -19.1657 -19.1657 -19.1454 -19.1454 -19.1197 -19.1197 -7.0968 -7.0968 -7.0705 -7.0705 -4.3720 -4.3720 1.7967 1.7967 2.4052 2.4052 4.1260 4.1260 5.0848 5.0848 5.2327 5.2327 5.3626 5.3626 7.3721 7.3721 10.1836 10.1836 11.3587 11.3587 15.5452 15.5452 15.8264 15.8264 k = 0.3837 0.4217-0.0000 ( 6396 PWs) bands (ev): -22.5877 -22.5877 -22.5579 -22.5579 -19.1657 -19.1657 -19.1456 -19.1456 -19.1198 -19.1198 -7.1091 -7.1091 -7.0957 -7.0957 -4.3499 -4.3499 1.8396 1.8396 2.4420 2.4420 4.0748 4.0748 5.1160 5.1160 5.2268 5.2268 5.3550 5.3550 7.4460 7.4460 10.1829 10.1829 11.3183 11.3183 15.5894 15.5894 15.8045 15.8045 k = 0.3721 0.4217-0.0000 ( 6408 PWs) bands (ev): -22.5879 -22.5879 -22.5579 -22.5579 -19.1658 -19.1658 -19.1458 -19.1458 -19.1198 -19.1198 -7.1293 -7.1293 -7.1156 -7.1156 -4.3267 -4.3267 1.8864 1.8864 2.4828 2.4828 4.0218 4.0218 5.1487 5.1487 5.2210 5.2210 5.3471 5.3471 7.5228 7.5228 10.1828 10.1828 11.2738 11.2738 15.6378 15.6378 15.7842 15.7842 k = 0.3605 0.4217-0.0000 ( 6412 PWs) bands (ev): -22.5881 -22.5881 -22.5579 -22.5579 -19.1658 -19.1658 -19.1460 -19.1460 -19.1199 -19.1199 -7.1576 -7.1576 -7.1295 -7.1295 -4.3027 -4.3027 1.9371 1.9371 2.5277 2.5277 3.9678 3.9678 5.1797 5.1797 5.2175 5.2175 5.3397 5.3397 7.6015 7.6015 10.1834 10.1834 11.2253 11.2253 15.6899 15.6899 15.7663 15.7663 k = 0.3488 0.4217-0.0000 ( 6416 PWs) bands (ev): -22.5883 -22.5883 -22.5579 -22.5579 -19.1659 -19.1659 -19.1461 -19.1461 -19.1200 -19.1200 -7.1881 -7.1881 -7.1430 -7.1430 -4.2781 -4.2781 1.9913 1.9913 2.5767 2.5767 3.9133 3.9133 5.1944 5.1944 5.2294 5.2294 5.3341 5.3341 7.6809 7.6809 10.1852 10.1852 11.1732 11.1732 15.7376 15.7376 15.7591 15.7591 k = 0.3372 0.4217-0.0000 ( 6416 PWs) bands (ev): -22.5885 -22.5885 -22.5578 -22.5578 -19.1661 -19.1661 -19.1462 -19.1462 -19.1201 -19.1201 -7.2197 -7.2197 -7.1569 -7.1569 -4.2531 -4.2531 2.0488 2.0488 2.6299 2.6299 3.8589 3.8589 5.1908 5.1908 5.2545 5.2545 5.3344 5.3344 7.7600 7.7600 10.1885 10.1885 11.1178 11.1178 15.7323 15.7323 15.8107 15.8107 k = 0.3256 0.4217-0.0000 ( 6404 PWs) bands (ev): -22.5887 -22.5887 -22.5578 -22.5578 -19.1663 -19.1663 -19.1462 -19.1462 -19.1202 -19.1202 -7.2520 -7.2520 -7.1713 -7.1713 -4.2281 -4.2281 2.1095 2.1095 2.6871 2.6871 3.8051 3.8051 5.1834 5.1834 5.2694 5.2694 5.3489 5.3489 7.8377 7.8377 10.1935 10.1935 11.0596 11.0596 15.7209 15.7209 15.8746 15.8746 k = 0.3140 0.4217-0.0000 ( 6396 PWs) bands (ev): -22.5890 -22.5890 -22.5578 -22.5578 -19.1666 -19.1666 -19.1462 -19.1462 -19.1204 -19.1204 -7.2848 -7.2848 -7.1861 -7.1861 -4.2031 -4.2031 2.1729 2.1729 2.7483 2.7483 3.7525 3.7525 5.1750 5.1750 5.2697 5.2697 5.3792 5.3792 7.9129 7.9129 10.2006 10.2006 10.9989 10.9989 15.7110 15.7110 15.9425 15.9425 k = 0.3023 0.4217-0.0000 ( 6392 PWs) bands (ev): -22.5892 -22.5892 -22.5577 -22.5577 -19.1669 -19.1669 -19.1461 -19.1461 -19.1205 -19.1205 -7.3178 -7.3178 -7.2012 -7.2012 -4.1784 -4.1784 2.2387 2.2387 2.8135 2.8135 3.7014 3.7014 5.1662 5.1662 5.2629 5.2629 5.4169 5.4169 7.9842 7.9842 10.2103 10.2103 10.9367 10.9367 15.7029 15.7029 16.0139 16.0139 k = 0.2907 0.4217-0.0000 ( 6392 PWs) bands (ev): -22.5895 -22.5895 -22.5577 -22.5577 -19.1674 -19.1674 -19.1459 -19.1459 -19.1206 -19.1206 -7.3508 -7.3508 -7.2166 -7.2166 -4.1542 -4.1542 2.3065 2.3065 2.8825 2.8825 3.6527 3.6527 5.1570 5.1570 5.2533 5.2533 5.4572 5.4572 8.0505 8.0505 10.2228 10.2228 10.8736 10.8736 15.6961 15.6961 16.0885 16.0885 k = 0.2791 0.4217-0.0000 ( 6386 PWs) bands (ev): -22.5897 -22.5897 -22.5576 -22.5576 -19.1678 -19.1678 -19.1457 -19.1457 -19.1207 -19.1207 -7.3836 -7.3836 -7.2321 -7.2321 -4.1305 -4.1305 2.3756 2.3756 2.9553 2.9553 3.6069 3.6069 5.1476 5.1476 5.2424 5.2424 5.4981 5.4981 8.1103 8.1103 10.2383 10.2383 10.8109 10.8109 15.6905 15.6905 16.1659 16.1659 k = 0.2674 0.4217-0.0000 ( 6386 PWs) bands (ev): -22.5900 -22.5900 -22.5576 -22.5576 -19.1684 -19.1684 -19.1455 -19.1455 -19.1208 -19.1208 -7.4162 -7.4162 -7.2478 -7.2478 -4.1075 -4.1075 2.4453 2.4453 3.0317 3.0317 3.5649 3.5649 5.1381 5.1381 5.2309 5.2309 5.5386 5.5386 8.1626 8.1626 10.2564 10.2564 10.7502 10.7502 15.6854 15.6854 16.2454 16.2454 k = 0.2558 0.4217-0.0000 ( 6390 PWs) bands (ev): -22.5903 -22.5903 -22.5576 -22.5576 -19.1690 -19.1690 -19.1452 -19.1452 -19.1209 -19.1209 -7.4483 -7.4483 -7.2635 -7.2635 -4.0853 -4.0853 2.5145 2.5145 3.1115 3.1115 3.5277 3.5277 5.1286 5.1286 5.2191 5.2191 5.5779 5.5779 8.2060 8.2060 10.2760 10.2760 10.6939 10.6939 15.6804 15.6804 16.3186 16.3186 k = 0.2442 0.4217-0.0000 ( 6390 PWs) bands (ev): -22.5905 -22.5905 -22.5575 -22.5575 -19.1696 -19.1696 -19.1448 -19.1448 -19.1211 -19.1211 -7.4797 -7.4797 -7.2791 -7.2791 -4.0641 -4.0641 2.5819 2.5819 3.1945 3.1945 3.4967 3.4967 5.1190 5.1190 5.2071 5.2071 5.6153 5.6153 8.2395 8.2395 10.2945 10.2945 10.6457 10.6457 15.6748 15.6748 16.2071 16.2071 k = 0.2326 0.4217-0.0000 ( 6394 PWs) bands (ev): -22.5908 -22.5908 -22.5575 -22.5575 -19.1702 -19.1702 -19.1444 -19.1444 -19.1212 -19.1212 -7.5104 -7.5104 -7.2945 -7.2945 -4.0437 -4.0437 2.6455 2.6455 3.2804 3.2804 3.4739 3.4739 5.1095 5.1095 5.1950 5.1950 5.6502 5.6502 8.2622 8.2622 10.3066 10.3066 10.6121 10.6121 15.6675 15.6675 16.0465 16.0465 k = 0.2209 0.4217-0.0000 ( 6388 PWs) bands (ev): -22.5911 -22.5911 -22.5575 -22.5575 -19.1709 -19.1709 -19.1440 -19.1440 -19.1213 -19.1213 -7.5403 -7.5403 -7.3097 -7.3097 -4.0244 -4.0244 2.7030 2.7030 3.3687 3.3687 3.4617 3.4617 5.1001 5.1001 5.1831 5.1831 5.6821 5.6821 8.2735 8.2735 10.3052 10.3052 10.6009 10.6009 15.6563 15.6563 15.8940 15.8940 k = 0.2093 0.4217-0.0000 ( 6384 PWs) bands (ev): -22.5913 -22.5913 -22.5574 -22.5574 -19.1716 -19.1716 -19.1436 -19.1436 -19.1214 -19.1214 -7.5692 -7.5692 -7.3247 -7.3247 -4.0061 -4.0061 2.7518 2.7518 3.4510 3.4510 3.4709 3.4709 5.0908 5.0908 5.1713 5.1713 5.7105 5.7105 8.2731 8.2731 10.2873 10.2873 10.6154 10.6154 15.6310 15.6310 15.7610 15.7610 k = 0.1977 0.4217-0.0000 ( 6380 PWs) bands (ev): -22.5916 -22.5916 -22.5574 -22.5574 -19.1724 -19.1724 -19.1431 -19.1431 -19.1215 -19.1215 -7.5970 -7.5970 -7.3392 -7.3392 -3.9889 -3.9889 2.7892 2.7892 3.4752 3.4752 3.5556 3.5556 5.0817 5.0817 5.1597 5.1597 5.7347 5.7347 8.2611 8.2611 10.2573 10.2573 10.6514 10.6514 15.5521 15.5521 15.6871 15.6871 k = 0.1860 0.4217-0.0000 ( 6376 PWs) bands (ev): -22.5918 -22.5918 -22.5573 -22.5573 -19.1731 -19.1731 -19.1426 -19.1426 -19.1216 -19.1216 -7.6236 -7.6236 -7.3533 -7.3533 -3.9728 -3.9728 2.8141 2.8141 3.5076 3.5076 3.6502 3.6502 5.0729 5.0729 5.1484 5.1484 5.7543 5.7543 8.2379 8.2379 10.2219 10.2219 10.7021 10.7021 15.4303 15.4303 15.6619 15.6619 k = 0.1744 0.4217-0.0000 ( 6378 PWs) bands (ev): -22.5921 -22.5921 -22.5573 -22.5573 -19.1738 -19.1738 -19.1422 -19.1422 -19.1217 -19.1217 -7.6490 -7.6490 -7.3669 -7.3669 -3.9578 -3.9578 2.8268 2.8268 3.5554 3.5554 3.7465 3.7465 5.0643 5.0643 5.1374 5.1374 5.7689 5.7689 8.2043 8.2043 10.1856 10.1856 10.7623 10.7623 15.3051 15.3051 15.6462 15.6462 k = 0.1628 0.4217-0.0000 ( 6374 PWs) bands (ev): -22.5923 -22.5923 -22.5573 -22.5573 -19.1745 -19.1745 -19.1417 -19.1417 -19.1218 -19.1218 -7.6730 -7.6730 -7.3799 -7.3799 -3.9439 -3.9439 2.8295 2.8295 3.6164 3.6164 3.8437 3.8437 5.0560 5.0560 5.1268 5.1268 5.7782 5.7782 8.1611 8.1611 10.1511 10.1511 10.8286 10.8286 15.1848 15.1848 15.6321 15.6321 k = 0.1512 0.4217-0.0000 ( 6370 PWs) bands (ev): -22.5926 -22.5926 -22.5572 -22.5572 -19.1752 -19.1752 -19.1412 -19.1412 -19.1219 -19.1219 -7.6957 -7.6957 -7.3922 -7.3922 -3.9311 -3.9311 2.8248 2.8248 3.6878 3.6878 3.9413 3.9413 5.0480 5.0480 5.1166 5.1166 5.7817 5.7817 8.1097 8.1097 10.1196 10.1196 10.8986 10.8986 15.0713 15.0713 15.6179 15.6179 k = 0.1395 0.4217-0.0000 ( 6368 PWs) bands (ev): -22.5928 -22.5928 -22.5572 -22.5572 -19.1758 -19.1758 -19.1408 -19.1408 -19.1220 -19.1220 -7.7169 -7.7169 -7.4039 -7.4039 -3.9193 -3.9193 2.8151 2.8151 3.7668 3.7668 4.0387 4.0387 5.0404 5.0404 5.1070 5.1070 5.7793 5.7793 8.0514 8.0514 10.0917 10.0917 10.9706 10.9706 14.9654 14.9654 15.6035 15.6035 k = 0.1279 0.4217-0.0000 ( 6368 PWs) bands (ev): -22.5930 -22.5930 -22.5572 -22.5572 -19.1764 -19.1764 -19.1404 -19.1404 -19.1221 -19.1221 -7.7366 -7.7366 -7.4148 -7.4148 -3.9086 -3.9086 2.8024 2.8024 3.8510 3.8510 4.1353 4.1353 5.0331 5.0331 5.0977 5.0977 5.7709 5.7709 7.9877 7.9877 10.0676 10.0676 11.0429 11.0429 14.8673 14.8673 15.5889 15.5889 k = 0.1163 0.4217-0.0000 ( 6356 PWs) bands (ev): -22.5932 -22.5932 -22.5571 -22.5571 -19.1770 -19.1770 -19.1400 -19.1400 -19.1222 -19.1222 -7.7548 -7.7548 -7.4249 -7.4249 -3.8989 -3.8989 2.7882 2.7882 3.9382 3.9382 4.2302 4.2302 5.0262 5.0262 5.0891 5.0891 5.7567 5.7567 7.9202 7.9202 10.0473 10.0473 11.1141 11.1141 14.7773 14.7773 15.5743 15.5743 k = 0.1047 0.4217-0.0000 ( 6344 PWs) bands (ev): -22.5934 -22.5934 -22.5571 -22.5571 -19.1776 -19.1776 -19.1396 -19.1396 -19.1223 -19.1223 -7.7713 -7.7713 -7.4343 -7.4343 -3.8903 -3.8903 2.7736 2.7736 4.0269 4.0269 4.3227 4.3227 5.0195 5.0195 5.0809 5.0809 5.7368 5.7368 7.8506 7.8506 10.0305 10.0305 11.1830 11.1830 14.6956 14.6956 15.5601 15.5601 k = 0.0930 0.4217-0.0000 ( 6336 PWs) bands (ev): -22.5935 -22.5935 -22.5571 -22.5571 -19.1780 -19.1780 -19.1392 -19.1392 -19.1223 -19.1223 -7.7862 -7.7862 -7.4427 -7.4427 -3.8826 -3.8826 2.7593 2.7593 4.1154 4.1154 4.4117 4.4117 5.0132 5.0132 5.0732 5.0732 5.7117 5.7117 7.7807 7.7807 10.0170 10.0170 11.2484 11.2484 14.6223 14.6223 15.5465 15.5465 k = 0.0814 0.4217-0.0000 ( 6332 PWs) bands (ev): -22.5937 -22.5937 -22.5571 -22.5571 -19.1785 -19.1785 -19.1389 -19.1389 -19.1224 -19.1224 -7.7995 -7.7995 -7.4502 -7.4502 -3.8759 -3.8759 2.7458 2.7458 4.2023 4.2023 4.4963 4.4963 5.0071 5.0071 5.0661 5.0661 5.6821 5.6821 7.7123 7.7123 10.0063 10.0063 11.3090 11.3090 14.5575 14.5575 15.5338 15.5338 k = 0.0698 0.4217-0.0000 ( 6330 PWs) bands (ev): -22.5938 -22.5938 -22.5570 -22.5570 -19.1789 -19.1789 -19.1387 -19.1387 -19.1225 -19.1225 -7.8110 -7.8110 -7.4568 -7.4568 -3.8701 -3.8701 2.7336 2.7336 4.2858 4.2858 4.5753 4.5753 5.0010 5.0010 5.0596 5.0596 5.6492 5.6492 7.6473 7.6473 9.9981 9.9981 11.3640 11.3640 14.5012 14.5012 15.5223 15.5223 k = 0.0581 0.4217-0.0000 ( 6326 PWs) bands (ev): -22.5939 -22.5939 -22.5570 -22.5570 -19.1792 -19.1792 -19.1384 -19.1384 -19.1225 -19.1225 -7.8208 -7.8208 -7.4624 -7.4624 -3.8653 -3.8653 2.7228 2.7228 4.3641 4.3641 4.6473 4.6473 4.9948 4.9948 5.0536 5.0536 5.6142 5.6142 7.5877 7.5877 9.9919 9.9919 11.4123 11.4123 14.4536 14.4536 15.5121 15.5121 k = 0.0465 0.4217-0.0000 ( 6334 PWs) bands (ev): -22.5940 -22.5940 -22.5570 -22.5570 -19.1795 -19.1795 -19.1382 -19.1382 -19.1225 -19.1225 -7.8288 -7.8288 -7.4670 -7.4670 -3.8613 -3.8613 2.7138 2.7138 4.4349 4.4349 4.7112 4.7112 4.9882 4.9882 5.0483 5.0483 5.5793 5.5793 7.5355 7.5355 9.9874 9.9874 11.4531 11.4531 14.4145 14.4145 15.5036 15.5036 k = 0.0349 0.4217-0.0000 ( 6344 PWs) bands (ev): -22.5941 -22.5941 -22.5570 -22.5570 -19.1797 -19.1797 -19.1381 -19.1381 -19.1226 -19.1226 -7.8351 -7.8351 -7.4706 -7.4706 -3.8583 -3.8583 2.7067 2.7067 4.4953 4.4953 4.7654 4.7654 4.9810 4.9810 5.0438 5.0438 5.5468 5.5468 7.4924 7.4924 9.9844 9.9844 11.4856 11.4856 14.3841 14.3841 15.4968 15.4968 k = 0.0233 0.4217-0.0000 ( 6354 PWs) bands (ev): -22.5941 -22.5941 -22.5570 -22.5570 -19.1799 -19.1799 -19.1380 -19.1380 -19.1226 -19.1226 -7.8396 -7.8396 -7.4732 -7.4732 -3.8561 -3.8561 2.7015 2.7015 4.5423 4.5423 4.8082 4.8082 4.9734 4.9734 5.0403 5.0403 5.5201 5.5201 7.4602 7.4602 9.9823 9.9823 11.5092 11.5092 14.3624 14.3624 15.4919 15.4919 k = 0.0116 0.4217-0.0000 ( 6362 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8423 -7.8423 -7.4748 -7.4748 -3.8548 -3.8548 2.6984 2.6984 4.5723 4.5723 4.8368 4.8368 4.9665 4.9665 5.0380 5.0380 5.5022 5.5022 7.4402 7.4402 9.9812 9.9812 11.5236 11.5236 14.3494 14.3494 15.4889 15.4889 k = 0.0000 0.4217-0.0000 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8432 -7.8432 -7.4753 -7.4753 -3.8544 -3.8544 2.6974 2.6974 4.5826 4.5826 4.8472 4.8472 4.9634 4.9634 5.0372 5.0372 5.4959 5.4959 7.4335 7.4335 9.9809 9.9809 11.5285 11.5285 14.3450 14.3450 15.4878 15.4878 k = 0.0000 0.4217-0.0000 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8432 -7.8432 -7.4753 -7.4753 -3.8544 -3.8544 2.6974 2.6974 4.5826 4.5826 4.8472 4.8472 4.9634 4.9634 5.0372 5.0372 5.4959 5.4959 7.4335 7.4335 9.9809 9.9809 11.5285 11.5285 14.3450 14.3450 15.4878 15.4878 k = 0.0000 0.4103-0.0000 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8507 -7.8507 -7.4676 -7.4676 -3.8533 -3.8533 2.6958 2.6958 4.5754 4.5754 4.8395 4.8395 4.9685 4.9685 5.0404 5.0404 5.4995 5.4995 7.4390 7.4390 9.9836 9.9836 11.5290 11.5290 14.3290 14.3290 15.5018 15.5018 k = 0.0000 0.3989-0.0000 ( 6354 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8716 -7.8716 -7.4461 -7.4461 -3.8498 -3.8498 2.6910 2.6910 4.5545 4.5545 4.8171 4.8171 4.9826 4.9826 5.0499 5.0499 5.5101 5.5101 7.4555 7.4555 9.9917 9.9917 11.5305 11.5305 14.2834 14.2834 15.5412 15.5412 k = 0.0000 0.3875-0.0000 ( 6356 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1227 -19.1227 -7.9021 -7.9021 -7.4146 -7.4146 -3.8439 -3.8439 2.6833 2.6833 4.5225 4.5225 4.7821 4.7821 5.0033 5.0033 5.0655 5.0655 5.5261 5.5261 7.4824 7.4824 10.0051 10.0051 11.5331 11.5331 14.2141 14.2141 15.5999 15.5999 k = 0.0000 0.3761-0.0000 ( 6358 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1227 -19.1227 -7.9389 -7.9389 -7.3765 -7.3765 -3.8358 -3.8358 2.6726 2.6726 4.4814 4.4814 4.7371 4.7371 5.0282 5.0282 5.0867 5.0867 5.5462 5.5462 7.5192 7.5192 10.0238 10.0238 11.5368 11.5368 14.1276 14.1276 15.6710 15.6710 k = 0.0000 0.3647-0.0000 ( 6360 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1228 -19.1228 -7.9795 -7.9795 -7.3343 -7.3343 -3.8253 -3.8253 2.6591 2.6591 4.4328 4.4328 4.6850 4.6850 5.0559 5.0559 5.1125 5.1125 5.5690 5.5690 7.5650 7.5650 10.0478 10.0478 11.5416 11.5416 14.0295 14.0295 15.7488 15.7488 k = 0.0000 0.3533-0.0000 ( 6368 PWs) bands (ev): -22.5942 -22.5942 -22.5571 -22.5571 -19.1801 -19.1801 -19.1378 -19.1378 -19.1229 -19.1229 -8.0222 -8.0222 -7.2898 -7.2898 -3.8125 -3.8125 2.6431 2.6431 4.3772 4.3772 4.6285 4.6285 5.0861 5.0861 5.1416 5.1416 5.5933 5.5933 7.6188 7.6188 10.0770 10.0770 11.5476 11.5476 13.9238 13.9238 15.8284 15.8284 k = 0.0000 0.3419-0.0000 ( 6376 PWs) bands (ev): -22.5942 -22.5942 -22.5571 -22.5571 -19.1801 -19.1801 -19.1378 -19.1378 -19.1229 -19.1229 -8.0659 -8.0659 -7.2438 -7.2438 -3.7974 -3.7974 2.6248 2.6248 4.3150 4.3150 4.5700 4.5700 5.1188 5.1188 5.1727 5.1727 5.6187 5.6187 7.6795 7.6795 10.1112 10.1112 11.5549 11.5549 13.8135 13.8135 15.9064 15.9064 k = 0.0000 0.3305-0.0000 ( 6376 PWs) bands (ev): -22.5942 -22.5942 -22.5571 -22.5571 -19.1801 -19.1801 -19.1378 -19.1378 -19.1230 -19.1230 -8.1102 -8.1102 -7.1972 -7.1972 -3.7800 -3.7800 2.6044 2.6044 4.2462 4.2462 4.5115 4.5115 5.1540 5.1540 5.2049 5.2049 5.6447 5.6447 7.7462 7.7462 10.1503 10.1503 11.5635 11.5635 13.7008 13.7008 15.9801 15.9801 k = 0.0000 0.3191-0.0000 ( 6368 PWs) bands (ev): -22.5942 -22.5942 -22.5572 -22.5572 -19.1801 -19.1801 -19.1378 -19.1378 -19.1231 -19.1231 -8.1543 -8.1543 -7.1506 -7.1506 -3.7603 -3.7603 2.5822 2.5822 4.1710 4.1710 4.4543 4.4543 5.1919 5.1919 5.2372 5.2372 5.6710 5.6710 7.8179 7.8179 10.1942 10.1942 11.5736 11.5736 13.5871 13.5871 16.0475 16.0475 k = 0.0000 0.3077-0.0000 ( 6376 PWs) bands (ev): -22.5942 -22.5942 -22.5572 -22.5572 -19.1801 -19.1801 -19.1378 -19.1378 -19.1232 -19.1232 -8.1981 -8.1981 -7.1042 -7.1042 -3.7384 -3.7384 2.5584 2.5584 4.0901 4.0901 4.3992 4.3992 5.2322 5.2322 5.2693 5.2693 5.6976 5.6976 7.8935 7.8935 10.2426 10.2426 11.5853 11.5853 13.4737 13.4737 16.1069 16.1069 k = 0.0000 0.2963-0.0000 ( 6374 PWs) bands (ev): -22.5942 -22.5942 -22.5573 -22.5573 -19.1801 -19.1801 -19.1378 -19.1378 -19.1234 -19.1234 -8.2413 -8.2413 -7.0584 -7.0584 -3.7142 -3.7142 2.5333 2.5333 4.0042 4.0042 4.3464 4.3464 5.2746 5.2746 5.3007 5.3007 5.7245 5.7245 7.9722 7.9722 10.2954 10.2954 11.5987 11.5987 13.3613 13.3613 16.1569 16.1569 k = 0.0000 0.2849-0.0000 ( 6370 PWs) bands (ev): -22.5942 -22.5942 -22.5573 -22.5573 -19.1801 -19.1801 -19.1378 -19.1378 -19.1235 -19.1235 -8.2836 -8.2836 -7.0134 -7.0134 -3.6879 -3.6879 2.5071 2.5071 3.9144 3.9144 4.2959 4.2959 5.3188 5.3188 5.3315 5.3315 5.7516 5.7516 8.0533 8.0533 10.3524 10.3524 11.6139 11.6139 13.2507 13.2507 16.1962 16.1962 k = 0.0000 0.2735-0.0000 ( 6370 PWs) bands (ev): -22.5942 -22.5942 -22.5574 -22.5574 -19.1801 -19.1801 -19.1378 -19.1378 -19.1236 -19.1236 -8.3250 -8.3250 -6.9695 -6.9695 -3.6595 -3.6595 2.4800 2.4800 3.8216 3.8216 4.2475 4.2475 5.3595 5.3595 5.3663 5.3663 5.7789 5.7789 8.1358 8.1358 10.4132 10.4132 11.6311 11.6311 13.1425 13.1425 16.2235 16.2235 k = 0.0000 0.2621-0.0000 ( 6374 PWs) bands (ev): -22.5942 -22.5942 -22.5574 -22.5574 -19.1802 -19.1802 -19.1378 -19.1378 -19.1238 -19.1238 -8.3653 -8.3653 -6.9267 -6.9267 -3.6290 -3.6290 2.4523 2.4523 3.7269 3.7269 4.2011 4.2011 5.3884 5.3884 5.4129 5.4129 5.8065 5.8065 8.2192 8.2192 10.4774 10.4774 11.6505 11.6505 13.0369 13.0369 16.2367 16.2367 k = 0.0000 0.2507-0.0000 ( 6374 PWs) bands (ev): -22.5942 -22.5942 -22.5575 -22.5575 -19.1802 -19.1802 -19.1378 -19.1378 -19.1239 -19.1239 -8.4044 -8.4044 -6.8854 -6.8854 -3.5967 -3.5967 2.4240 2.4240 3.6309 3.6309 4.1567 4.1567 5.4155 5.4155 5.4612 5.4612 5.8343 5.8343 8.3027 8.3027 10.5449 10.5449 11.6722 11.6722 12.9345 12.9345 16.2328 16.2328 k = 0.0000 0.2393-0.0000 ( 6382 PWs) bands (ev): -22.5942 -22.5942 -22.5575 -22.5575 -19.1802 -19.1802 -19.1378 -19.1378 -19.1240 -19.1240 -8.4422 -8.4422 -6.8455 -6.8455 -3.5626 -3.5626 2.3954 2.3954 3.5346 3.5346 4.1140 4.1140 5.4412 5.4412 5.5102 5.5102 5.8623 5.8623 8.3858 8.3858 10.6151 10.6151 11.6964 11.6964 12.8355 12.8355 16.2078 16.2078 k = 0.0000 0.2279-0.0000 ( 6382 PWs) bands (ev): -22.5942 -22.5942 -22.5576 -22.5576 -19.1802 -19.1802 -19.1378 -19.1378 -19.1242 -19.1242 -8.4786 -8.4786 -6.8072 -6.8072 -3.5269 -3.5269 2.3665 2.3665 3.4384 3.4384 4.0731 4.0731 5.4655 5.4655 5.5595 5.5595 5.8904 5.8904 8.4679 8.4679 10.6877 10.6877 11.7232 11.7232 12.7401 12.7401 16.1601 16.1601 k = 0.0000 0.2165-0.0000 ( 6382 PWs) bands (ev): -22.5942 -22.5942 -22.5576 -22.5576 -19.1802 -19.1802 -19.1378 -19.1378 -19.1243 -19.1243 -8.5136 -8.5136 -6.7707 -6.7707 -3.4897 -3.4897 2.3374 2.3374 3.3432 3.3432 4.0339 4.0339 5.4884 5.4884 5.6088 5.6088 5.9186 5.9186 8.5485 8.5485 10.7621 10.7621 11.7528 11.7528 12.6487 12.6487 16.0941 16.0941 k = 0.0000 0.2051-0.0000 ( 6374 PWs) bands (ev): -22.5942 -22.5942 -22.5577 -22.5577 -19.1803 -19.1803 -19.1378 -19.1378 -19.1245 -19.1245 -8.5470 -8.5470 -6.7358 -6.7358 -3.4513 -3.4513 2.3082 2.3082 3.2495 3.2495 3.9965 3.9965 5.5099 5.5099 5.6577 5.6577 5.9469 5.9469 8.6272 8.6272 10.8377 10.8377 11.7854 11.7854 12.5615 12.5615 16.0172 16.0172 k = 0.0000 0.1937-0.0000 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5578 -22.5578 -19.1803 -19.1803 -19.1378 -19.1378 -19.1246 -19.1246 -8.5789 -8.5789 -6.7029 -6.7029 -3.4118 -3.4118 2.2789 2.2789 3.1579 3.1579 3.9608 3.9608 5.5300 5.5300 5.7060 5.7060 5.9750 5.9750 8.7035 8.7035 10.9141 10.9141 11.8209 11.8209 12.4786 12.4786 15.9354 15.9354 k = 0.0000 0.1823-0.0000 ( 6372 PWs) bands (ev): -22.5942 -22.5942 -22.5578 -22.5578 -19.1803 -19.1803 -19.1378 -19.1378 -19.1247 -19.1247 -8.6092 -8.6092 -6.6718 -6.6718 -3.3717 -3.3717 2.2496 2.2496 3.0690 3.0690 3.9269 3.9269 5.5487 5.5487 5.7533 5.7533 6.0029 6.0029 8.7770 8.7770 10.9904 10.9904 11.8593 11.8593 12.4004 12.4004 15.8525 15.8525 k = 0.0000 0.1709-0.0000 ( 6378 PWs) bands (ev): -22.5942 -22.5942 -22.5579 -22.5579 -19.1803 -19.1803 -19.1378 -19.1378 -19.1248 -19.1248 -8.6379 -8.6379 -6.6426 -6.6426 -3.3311 -3.3311 2.2202 2.2202 2.9835 2.9835 3.8948 3.8948 5.5662 5.5662 5.7992 5.7992 6.0305 6.0305 8.8474 8.8474 11.0661 11.0661 11.9005 11.9005 12.3272 12.3272 15.7705 15.7705 k = 0.0000 0.1595-0.0000 ( 6368 PWs) bands (ev): -22.5942 -22.5942 -22.5579 -22.5579 -19.1804 -19.1804 -19.1378 -19.1378 -19.1250 -19.1250 -8.6649 -8.6649 -6.6153 -6.6153 -3.2903 -3.2903 2.1907 2.1907 2.9018 2.9018 3.8646 3.8646 5.5823 5.5823 5.8435 5.8435 6.0577 6.0577 8.9142 8.9142 11.1405 11.1405 11.9438 11.9438 12.2596 12.2596 15.6907 15.6907 k = 0.0000 0.1482-0.0000 ( 6360 PWs) bands (ev): -22.5942 -22.5942 -22.5580 -22.5580 -19.1804 -19.1804 -19.1378 -19.1378 -19.1251 -19.1251 -8.6901 -8.6901 -6.5900 -6.5900 -3.2498 -3.2498 2.1611 2.1611 2.8248 2.8248 3.8363 3.8363 5.5970 5.5970 5.8858 5.8858 6.0843 6.0843 8.9773 8.9773 11.2127 11.2127 11.9876 11.9876 12.1995 12.1995 15.6140 15.6140 k = 0.0000 0.1368-0.0000 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5580 -22.5580 -19.1804 -19.1804 -19.1378 -19.1378 -19.1252 -19.1252 -8.7136 -8.7136 -6.5667 -6.5667 -3.2098 -3.2098 2.1312 2.1312 2.7528 2.7528 3.8100 3.8100 5.6106 5.6106 5.9259 5.9259 6.1103 6.1103 9.0363 9.0363 11.2821 11.2821 12.0252 12.0252 12.1531 12.1531 15.5411 15.5411 k = 0.0000 0.1254-0.0000 ( 6354 PWs) bands (ev): -22.5942 -22.5942 -22.5581 -22.5581 -19.1804 -19.1804 -19.1378 -19.1378 -19.1253 -19.1253 -8.7353 -8.7353 -6.5453 -6.5453 -3.1709 -3.1709 2.1012 2.1012 2.6865 2.6865 3.7856 3.7856 5.6229 5.6229 5.9634 5.9634 6.1354 6.1354 9.0911 9.0911 11.3479 11.3479 12.0326 12.0326 12.1442 12.1442 15.4724 15.4724 k = 0.0000 0.1140-0.0000 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5581 -22.5581 -19.1804 -19.1804 -19.1378 -19.1378 -19.1254 -19.1254 -8.7552 -8.7552 -6.5258 -6.5258 -3.1333 -3.1333 2.0712 2.0712 2.6263 2.6263 3.7632 3.7632 5.6340 5.6340 5.9982 5.9982 6.1595 6.1595 9.1414 9.1414 11.4093 11.4093 12.0030 12.0030 12.1791 12.1791 15.4084 15.4084 k = 0.0000 0.1026-0.0000 ( 6364 PWs) bands (ev): -22.5942 -22.5942 -22.5582 -22.5582 -19.1805 -19.1805 -19.1378 -19.1378 -19.1255 -19.1255 -8.7733 -8.7733 -6.5083 -6.5083 -3.0976 -3.0976 2.0413 2.0413 2.5725 2.5725 3.7428 3.7428 5.6439 5.6439 6.0299 6.0299 6.1823 6.1823 9.1872 9.1872 11.4655 11.4655 11.9656 11.9656 12.2281 12.2281 15.3494 15.3494 k = 0.0000 0.0912-0.0000 ( 6356 PWs) bands (ev): -22.5942 -22.5942 -22.5582 -22.5582 -19.1805 -19.1805 -19.1378 -19.1378 -19.1255 -19.1255 -8.7895 -8.7895 -6.4927 -6.4927 -3.0642 -3.0642 2.0120 2.0120 2.5253 2.5253 3.7245 3.7245 5.6527 5.6527 6.0585 6.0585 6.2038 6.2038 9.2283 9.2283 11.5157 11.5157 11.9308 11.9308 12.2801 12.2801 15.2958 15.2958 k = 0.0000 0.0798-0.0000 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5582 -22.5582 -19.1805 -19.1805 -19.1379 -19.1379 -19.1256 -19.1256 -8.8038 -8.8038 -6.4790 -6.4790 -3.0334 -3.0334 1.9837 1.9837 2.4846 2.4846 3.7083 3.7083 5.6604 5.6604 6.0838 6.0838 6.2236 6.2236 9.2646 9.2646 11.5590 11.5590 11.9013 11.9013 12.3316 12.3316 15.2478 15.2478 k = 0.0000 0.0684-0.0000 ( 6344 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1257 -19.1257 -8.8163 -8.8163 -6.4671 -6.4671 -3.0057 -3.0057 1.9571 1.9571 2.4503 2.4503 3.6942 3.6942 5.6670 5.6670 6.1057 6.1057 6.2415 6.2415 9.2962 9.2962 11.5942 11.5942 11.8784 11.8784 12.3806 12.3806 15.2058 15.2058 k = 0.0000 0.0570-0.0000 ( 6344 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1257 -19.1257 -8.8268 -8.8268 -6.4572 -6.4572 -2.9815 -2.9815 1.9330 1.9330 2.4221 2.4221 3.6822 3.6822 5.6726 5.6726 6.1243 6.1243 6.2571 6.2571 9.3229 9.3229 11.6207 11.6207 11.8630 11.8630 12.4255 12.4255 15.1698 15.1698 k = 0.0000 0.0456-0.0000 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8355 -8.8355 -6.4490 -6.4490 -2.9612 -2.9612 1.9121 1.9121 2.3996 2.3996 3.6724 3.6724 5.6771 5.6771 6.1394 6.1394 6.2704 6.2704 9.3447 9.3447 11.6383 11.6383 11.8549 11.8549 12.4647 12.4647 15.1402 15.1402 k = 0.0000 0.0342-0.0000 ( 6342 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8423 -8.8423 -6.4427 -6.4427 -2.9450 -2.9450 1.8950 1.8950 2.3825 2.3825 3.6647 3.6647 5.6806 5.6806 6.1512 6.1512 6.2809 6.2809 9.3617 9.3617 11.6483 11.6483 11.8526 11.8526 12.4967 12.4967 15.1169 15.1169 k = 0.0000 0.0228-0.0000 ( 6343 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8471 -8.8471 -6.4382 -6.4382 -2.9333 -2.9333 1.8823 1.8823 2.3706 2.3706 3.6592 3.6592 5.6831 5.6831 6.1596 6.1596 6.2886 6.2886 9.3739 9.3739 11.6530 11.6530 11.8537 11.8537 12.5206 12.5206 15.1003 15.1003 k = 0.0000 0.0114-0.0000 ( 6347 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8500 -8.8500 -6.4355 -6.4355 -2.9262 -2.9262 1.8746 1.8746 2.3635 2.3635 3.6560 3.6560 5.6846 5.6846 6.1646 6.1646 6.2933 6.2933 9.3811 9.3811 11.6547 11.6547 11.8555 11.8555 12.5353 12.5353 15.0902 15.0902 k = 0.0000 0.0000 0.0000 ( 6341 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8509 -8.8509 -6.4346 -6.4346 -2.9238 -2.9238 1.8719 1.8719 2.3611 2.3611 3.6549 3.6549 5.6851 5.6851 6.1662 6.1662 6.2948 6.2948 9.3836 9.3836 11.6551 11.6551 11.8562 11.8562 12.5402 12.5402 15.0869 15.0869 k = 0.0000 0.0000 0.0000 ( 6341 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8509 -8.8509 -6.4346 -6.4346 -2.9238 -2.9238 1.8719 1.8719 2.3611 2.3611 3.6549 3.6549 5.6851 5.6851 6.1662 6.1662 6.2948 6.2948 9.3836 9.3836 11.6551 11.6551 11.8562 11.8562 12.5402 12.5402 15.0869 15.0869 k = 0.0000 0.0000 0.0116 ( 6341 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8501 -8.8501 -6.4356 -6.4356 -2.9258 -2.9258 1.8742 1.8742 2.3636 2.3636 3.6558 3.6558 5.6846 5.6846 6.1649 6.1649 6.2932 6.2932 9.3809 9.3809 11.6556 11.6556 11.8539 11.8539 12.5363 12.5363 15.0910 15.0910 k = 0.0000 0.0000 0.0233 ( 6339 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8474 -8.8474 -6.4384 -6.4384 -2.9318 -2.9318 1.8809 1.8809 2.3712 2.3712 3.6584 3.6584 5.6834 5.6834 6.1608 6.1608 6.2885 6.2885 9.3729 9.3729 11.6568 11.6568 11.8476 11.8476 12.5246 12.5246 15.1031 15.1031 k = 0.0000 0.0000 0.0349 ( 6337 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8431 -8.8431 -6.4432 -6.4432 -2.9416 -2.9416 1.8919 1.8919 2.3840 2.3840 3.6629 3.6629 5.6813 5.6813 6.1541 6.1541 6.2807 6.2807 9.3595 9.3595 11.6567 11.6567 11.8391 11.8391 12.5056 12.5056 15.1231 15.1231 k = 0.0000 0.0000 0.0466 ( 6333 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1258 -19.1258 -8.8370 -8.8370 -6.4498 -6.4498 -2.9552 -2.9552 1.9065 1.9065 2.4022 2.4022 3.6691 3.6691 5.6784 5.6784 6.1446 6.1446 6.2699 6.2699 9.3408 9.3408 11.6522 11.6522 11.8322 11.8322 12.4802 12.4802 15.1503 15.1503 k = 0.0000 0.0000 0.0582 ( 6331 PWs) bands (ev): -22.5942 -22.5942 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1257 -19.1257 -8.8292 -8.8292 -6.4584 -6.4584 -2.9722 -2.9722 1.9244 1.9244 2.4261 2.4261 3.6771 3.6771 5.6746 5.6746 6.1324 6.1324 6.2564 6.2564 9.3168 9.3168 11.6388 11.6388 11.8317 11.8317 12.4494 12.4494 15.1844 15.1844 k = 0.0000 0.0000 0.0699 ( 6333 PWs) bands (ev): -22.5943 -22.5943 -22.5583 -22.5583 -19.1805 -19.1805 -19.1379 -19.1379 -19.1257 -19.1257 -8.8197 -8.8197 -6.4688 -6.4688 -2.9924 -2.9924 1.9449 1.9449 2.4561 2.4561 3.6868 3.6868 5.6700 5.6700 6.1175 6.1175 6.2403 6.2403 9.2875 9.2875 11.6136 11.6136 11.8408 11.8408 12.4143 12.4143 15.2246 15.2246 k = 0.0000 0.0000 0.0815 ( 6337 PWs) bands (ev): -22.5943 -22.5943 -22.5582 -22.5582 -19.1805 -19.1805 -19.1379 -19.1379 -19.1256 -19.1256 -8.8085 -8.8085 -6.4811 -6.4811 -3.0155 -3.0155 1.9672 1.9672 2.4923 2.4923 3.6983 3.6983 5.6646 5.6646 6.0998 6.0998 6.2220 6.2220 9.2530 9.2530 11.5769 11.5769 11.8601 11.8601 12.3759 12.3759 15.2704 15.2704 k = 0.0000 0.0000 0.0932 ( 6355 PWs) bands (ev): -22.5943 -22.5943 -22.5582 -22.5582 -19.1805 -19.1805 -19.1379 -19.1379 -19.1256 -19.1256 -8.7957 -8.7957 -6.4953 -6.4953 -3.0412 -3.0412 1.9909 1.9909 2.5350 2.5350 3.7113 3.7113 5.6583 5.6583 6.0793 6.0793 6.2018 6.2018 9.2134 9.2134 11.5308 11.5308 11.8880 11.8880 12.3354 12.3354 15.3211 15.3211 k = 0.0000 0.0000 0.1048 ( 6355 PWs) bands (ev): -22.5943 -22.5943 -22.5582 -22.5582 -19.1805 -19.1805 -19.1379 -19.1379 -19.1255 -19.1255 -8.7812 -8.7812 -6.5113 -6.5113 -3.0690 -3.0690 2.0153 2.0153 2.5843 2.5843 3.7260 3.7260 5.6511 5.6511 6.0561 6.0561 6.1799 6.1799 9.1688 9.1688 11.4773 11.4773 11.9231 11.9231 12.2937 12.2937 15.3760 15.3760 k = 0.0000 0.0000 0.1164 ( 6363 PWs) bands (ev): -22.5943 -22.5943 -22.5582 -22.5582 -19.1805 -19.1805 -19.1378 -19.1378 -19.1255 -19.1255 -8.7652 -8.7652 -6.5292 -6.5292 -3.0987 -3.0987 2.0400 2.0400 2.6400 2.6400 3.7423 3.7423 5.6431 5.6431 6.0301 6.0301 6.1567 6.1567 9.1193 9.1193 11.4183 11.4183 11.9645 11.9645 12.2517 12.2517 15.4343 15.4343 k = 0.0000 0.0000 0.1281 ( 6363 PWs) bands (ev): -22.5943 -22.5943 -22.5581 -22.5581 -19.1805 -19.1805 -19.1378 -19.1378 -19.1254 -19.1254 -8.7476 -8.7476 -6.5488 -6.5488 -3.1297 -3.1297 2.0647 2.0647 2.7019 2.7019 3.7601 3.7601 5.6342 5.6342 6.0015 6.0015 6.1325 6.1325 9.0651 9.0651 11.3550 11.3550 12.0114 12.0114 12.2101 12.2101 15.4954 15.4954 k = 0.0000 0.0000 0.1397 ( 6361 PWs) bands (ev): -22.5943 -22.5943 -22.5581 -22.5581 -19.1805 -19.1805 -19.1378 -19.1378 -19.1253 -19.1253 -8.7285 -8.7285 -6.5702 -6.5702 -3.1619 -3.1619 2.0893 2.0893 2.7696 2.7696 3.7794 3.7794 5.6245 5.6245 5.9705 5.9705 6.1076 6.1076 9.0064 9.0064 11.2886 11.2886 12.0632 12.0632 12.1697 12.1697 15.5581 15.5581 k = 0.0000 0.0000 0.1514 ( 6369 PWs) bands (ev): -22.5943 -22.5943 -22.5580 -22.5580 -19.1805 -19.1805 -19.1378 -19.1378 -19.1252 -19.1252 -8.7080 -8.7080 -6.5933 -6.5933 -3.1947 -3.1947 2.1137 2.1137 2.8427 2.8427 3.8001 3.8001 5.6139 5.6139 5.9372 5.9372 6.0820 6.0820 8.9434 8.9434 11.2201 11.2201 12.1141 12.1141 12.1366 12.1366 15.6214 15.6214 k = 0.0000 0.0000 0.1630 ( 6369 PWs) bands (ev): -22.5943 -22.5943 -22.5580 -22.5580 -19.1805 -19.1805 -19.1378 -19.1378 -19.1251 -19.1251 -8.6861 -8.6861 -6.6180 -6.6180 -3.2279 -3.2279 2.1377 2.1377 2.9206 2.9206 3.8221 3.8221 5.6026 5.6026 5.9020 5.9020 6.0559 6.0559 8.8766 8.8766 11.1503 11.1503 12.0904 12.0904 12.1847 12.1847 15.6837 15.6837 k = 0.0000 0.0000 0.1747 ( 6365 PWs) bands (ev): -22.5943 -22.5943 -22.5579 -22.5579 -19.1805 -19.1805 -19.1378 -19.1378 -19.1250 -19.1250 -8.6629 -8.6629 -6.6442 -6.6442 -3.2611 -3.2611 2.1615 2.1615 3.0027 3.0027 3.8455 3.8455 5.5903 5.5903 5.8651 5.8651 6.0295 6.0295 8.8061 8.8061 11.0800 11.0800 12.0552 12.0552 12.2505 12.2505 15.7435 15.7435 k = 0.0000 0.0000 0.1863 ( 6361 PWs) bands (ev): -22.5943 -22.5943 -22.5579 -22.5579 -19.1804 -19.1804 -19.1378 -19.1378 -19.1249 -19.1249 -8.6385 -8.6385 -6.6719 -6.6719 -3.2941 -3.2941 2.1850 2.1850 3.0883 3.0883 3.8701 3.8701 5.5773 5.5773 5.8270 5.8270 6.0028 6.0028 8.7325 8.7325 11.0099 11.0099 12.0219 12.0219 12.3212 12.3212 15.7987 15.7987 k = 0.0000 0.0000 0.1980 ( 6365 PWs) bands (ev): -22.5943 -22.5943 -22.5578 -22.5578 -19.1804 -19.1804 -19.1378 -19.1378 -19.1248 -19.1248 -8.6130 -8.6130 -6.7010 -6.7010 -3.3266 -3.3266 2.2081 2.2081 3.1767 3.1767 3.8960 3.8960 5.5636 5.5636 5.7880 5.7880 5.9759 5.9759 8.6561 8.6561 10.9405 10.9405 11.9906 11.9906 12.3962 12.3962 15.8471 15.8471 k = 0.0000 0.0000 0.2096 ( 6363 PWs) bands (ev): -22.5943 -22.5943 -22.5578 -22.5578 -19.1804 -19.1804 -19.1378 -19.1378 -19.1247 -19.1247 -8.5864 -8.5864 -6.7313 -6.7313 -3.3582 -3.3582 2.2310 2.2310 3.2674 3.2674 3.9230 3.9230 5.5490 5.5490 5.7485 5.7485 5.9488 5.9488 8.5775 8.5775 10.8725 10.8725 11.9616 11.9616 12.4752 12.4752 15.8866 15.8866 k = 0.0000 0.0000 0.2213 ( 6359 PWs) bands (ev): -22.5943 -22.5943 -22.5578 -22.5578 -19.1804 -19.1804 -19.1378 -19.1378 -19.1246 -19.1246 -8.5590 -8.5590 -6.7626 -6.7626 -3.3889 -3.3889 2.2535 2.2535 3.3594 3.3594 3.9512 3.9512 5.5338 5.5338 5.7088 5.7088 5.9216 5.9216 8.4972 8.4972 10.8063 10.8063 11.9348 11.9348 12.5581 12.5581 15.9153 15.9153 k = 0.0000 0.0000 0.2329 ( 6361 PWs) bands (ev): -22.5943 -22.5943 -22.5577 -22.5577 -19.1804 -19.1804 -19.1378 -19.1378 -19.1245 -19.1245 -8.5308 -8.5308 -6.7949 -6.7949 -3.4184 -3.4184 2.2756 2.2756 3.4521 3.4521 3.9807 3.9807 5.5179 5.5179 5.6695 5.6695 5.8942 5.8942 8.4156 8.4156 10.7423 10.7423 11.9103 11.9103 12.6446 12.6446 15.9315 15.9315 k = 0.0000 0.0000 0.2445 ( 6369 PWs) bands (ev): -22.5943 -22.5943 -22.5577 -22.5577 -19.1804 -19.1804 -19.1378 -19.1378 -19.1244 -19.1244 -8.5020 -8.5020 -6.8278 -6.8278 -3.4465 -3.4465 2.2972 2.2972 3.5444 3.5444 4.0116 4.0116 5.5012 5.5012 5.6309 5.6309 5.8668 5.8668 8.3336 8.3336 10.6809 10.6809 11.8880 11.8880 12.7345 12.7345 15.9346 15.9346 k = 0.0000 0.0000 0.2562 ( 6367 PWs) bands (ev): -22.5943 -22.5943 -22.5576 -22.5576 -19.1804 -19.1804 -19.1378 -19.1378 -19.1243 -19.1243 -8.4728 -8.4728 -6.8611 -6.8611 -3.4731 -3.4731 2.3182 2.3182 3.6352 3.6352 4.0444 4.0444 5.4839 5.4839 5.5935 5.5935 5.8394 5.8394 8.2516 8.2516 10.6225 10.6225 11.8677 11.8677 12.8275 12.8275 15.9241 15.9241 k = 0.0000 0.0000 0.2678 ( 6373 PWs) bands (ev): -22.5943 -22.5943 -22.5576 -22.5576 -19.1804 -19.1804 -19.1378 -19.1378 -19.1242 -19.1242 -8.4434 -8.4434 -6.8946 -6.8946 -3.4981 -3.4981 2.3385 2.3385 3.7230 3.7230 4.0795 4.0795 5.4657 5.4657 5.5578 5.5578 5.8119 5.8119 8.1705 8.1705 10.5674 10.5674 11.8495 11.8495 12.9231 12.9231 15.9005 15.9005 k = 0.0000 0.0000 0.2795 ( 6383 PWs) bands (ev): -22.5943 -22.5943 -22.5575 -22.5575 -19.1804 -19.1804 -19.1378 -19.1378 -19.1241 -19.1241 -8.4141 -8.4141 -6.9281 -6.9281 -3.5213 -3.5213 2.3580 2.3580 3.8059 3.8059 4.1180 4.1180 5.4466 5.4466 5.5246 5.5246 5.7845 5.7845 8.0909 8.0909 10.5158 10.5158 11.8332 11.8332 13.0210 13.0210 15.8645 15.8645 k = 0.0000 0.0000 0.2911 ( 6387 PWs) bands (ev): -22.5943 -22.5943 -22.5575 -22.5575 -19.1804 -19.1804 -19.1378 -19.1378 -19.1241 -19.1241 -8.3851 -8.3851 -6.9610 -6.9610 -3.5428 -3.5428 2.3765 2.3765 3.8816 3.8816 4.1613 4.1613 5.4263 5.4263 5.4945 5.4945 5.7571 5.7571 8.0137 8.0137 10.4680 10.4680 11.8187 11.8187 13.1205 13.1205 15.8171 15.8171 k = 0.0000 0.0000 0.3028 ( 6383 PWs) bands (ev): -22.5944 -22.5944 -22.5575 -22.5575 -19.1804 -19.1804 -19.1379 -19.1379 -19.1240 -19.1240 -8.3568 -8.3568 -6.9932 -6.9932 -3.5623 -3.5623 2.3938 2.3938 3.9477 3.9477 4.2105 4.2105 5.4047 5.4047 5.4681 5.4681 5.7298 5.7298 7.9397 7.9397 10.4241 10.4241 11.8059 11.8059 13.2210 13.2210 15.7598 15.7598 k = 0.0000 0.0000 0.3144 ( 6371 PWs) bands (ev): -22.5944 -22.5944 -22.5574 -22.5574 -19.1804 -19.1804 -19.1379 -19.1379 -19.1239 -19.1239 -8.3295 -8.3295 -7.0241 -7.0241 -3.5799 -3.5799 2.4099 2.4099 4.0028 4.0028 4.2660 4.2660 5.3824 5.3824 5.4454 5.4454 5.7028 5.7028 7.8699 7.8699 10.3845 10.3845 11.7948 11.7948 13.3215 13.3215 15.6944 15.6944 k = 0.0000 0.0000 0.3261 ( 6373 PWs) bands (ev): -22.5944 -22.5944 -22.5574 -22.5574 -19.1804 -19.1804 -19.1379 -19.1379 -19.1238 -19.1238 -8.3036 -8.3036 -7.0532 -7.0532 -3.5955 -3.5955 2.4246 2.4246 4.0471 4.0471 4.3260 4.3260 5.3600 5.3600 5.4262 5.4262 5.6763 5.6763 7.8051 7.8051 10.3491 10.3491 11.7852 11.7852 13.4207 13.4207 15.6230 15.6230 k = 0.0000 0.0000 0.3377 ( 6367 PWs) bands (ev): -22.5944 -22.5944 -22.5574 -22.5574 -19.1804 -19.1804 -19.1379 -19.1379 -19.1238 -19.1238 -8.2797 -8.2797 -7.0801 -7.0801 -3.6090 -3.6090 2.4377 2.4377 4.0823 4.0823 4.3875 4.3875 5.3387 5.3387 5.4099 5.4099 5.6506 5.6506 7.7464 7.7464 10.3182 10.3182 11.7771 11.7771 13.5172 13.5172 15.5483 15.5483 k = 0.0000 0.0000 0.3493 ( 6371 PWs) bands (ev): -22.5944 -22.5944 -22.5574 -22.5574 -19.1803 -19.1803 -19.1379 -19.1379 -19.1237 -19.1237 -8.2581 -8.2581 -7.1043 -7.1043 -3.6205 -3.6205 2.4490 2.4490 4.1101 4.1101 4.4469 4.4469 5.3193 5.3193 5.3961 5.3961 5.6264 5.6264 7.6947 7.6947 10.2918 10.2918 11.7703 11.7703 13.6088 13.6088 15.4733 15.4733 k = 0.0000 0.0000 0.3610 ( 6365 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1237 -19.1237 -8.2396 -8.2396 -7.1250 -7.1250 -3.6300 -3.6300 2.4585 2.4585 4.1318 4.1318 4.5011 4.5011 5.3025 5.3025 5.3847 5.3847 5.6043 5.6043 7.6509 7.6509 10.2701 10.2701 11.7649 11.7649 13.6926 13.6926 15.4017 15.4017 k = 0.0000 0.0000 0.3726 ( 6364 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2244 -8.2244 -7.1419 -7.1419 -3.6373 -3.6373 2.4660 2.4660 4.1481 4.1481 4.5470 4.5470 5.2888 5.2888 5.3757 5.3757 5.5854 5.5854 7.6158 7.6158 10.2532 10.2532 11.7607 11.7607 13.7652 13.7652 15.3379 15.3379 k = 0.0000 0.0000 0.3843 ( 6368 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2132 -8.2132 -7.1544 -7.1544 -3.6426 -3.6426 2.4714 2.4714 4.1596 4.1596 4.5821 4.5821 5.2787 5.2787 5.3691 5.3691 5.5707 5.5707 7.5902 7.5902 10.2411 10.2411 11.7577 11.7577 13.8221 13.8221 15.2868 15.2868 k = 0.0000 0.0000 0.3959 ( 6360 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2063 -8.2063 -7.1620 -7.1620 -3.6458 -3.6458 2.4747 2.4747 4.1665 4.1665 4.6042 4.6042 5.2725 5.2725 5.3651 5.3651 5.5613 5.5613 7.5746 7.5746 10.2337 10.2337 11.7560 11.7560 13.8587 13.8587 15.2534 15.2534 k = 0.0000 0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2040 -8.2040 -7.1646 -7.1646 -3.6468 -3.6468 2.4758 2.4758 4.1688 4.1688 4.6117 4.6117 5.2704 5.2704 5.3637 5.3637 5.5581 5.5581 7.5694 7.5694 10.2313 10.2313 11.7554 11.7554 13.8714 13.8714 15.2417 15.2417 k = 0.0000 0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2040 -8.2040 -7.1646 -7.1646 -3.6468 -3.6468 2.4758 2.4758 4.1688 4.1688 4.6117 4.6117 5.2704 5.2704 5.3637 5.3637 5.5581 5.5581 7.5694 7.5694 10.2313 10.2313 11.7554 11.7554 13.8714 13.8714 15.2417 15.2417 k = 0.0116-0.0000 0.4076 ( 6364 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2031 -8.2031 -7.1641 -7.1641 -3.6476 -3.6476 2.4769 2.4769 4.1634 4.1634 4.6098 4.6098 5.2695 5.2695 5.3599 5.3599 5.5608 5.5608 7.5756 7.5756 10.2302 10.2302 11.7496 11.7496 13.8761 13.8761 15.2430 15.2430 k = 0.0233-0.0000 0.4076 ( 6360 PWs) bands (ev): -22.5943 -22.5943 -22.5573 -22.5573 -19.1802 -19.1802 -19.1380 -19.1380 -19.1236 -19.1236 -8.2003 -8.2003 -7.1627 -7.1627 -3.6499 -3.6499 2.4804 2.4804 4.1474 4.1474 4.6040 4.6040 5.2662 5.2662 5.3493 5.3493 5.5686 5.5686 7.5940 7.5940 10.2271 10.2271 11.7325 11.7325 13.8901 13.8901 15.2468 15.2468 k = 0.0349-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5943 -22.5943 -22.5573 -22.5573 -19.1800 -19.1800 -19.1381 -19.1381 -19.1235 -19.1235 -8.1958 -8.1958 -7.1603 -7.1603 -3.6539 -3.6539 2.4861 2.4861 4.1216 4.1216 4.5940 4.5940 5.2584 5.2584 5.3354 5.3354 5.5810 5.5810 7.6235 7.6235 10.2221 10.2221 11.7043 11.7043 13.9135 13.9135 15.2531 15.2531 k = 0.0465-0.0000 0.4076 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5573 -22.5573 -19.1798 -19.1798 -19.1383 -19.1383 -19.1235 -19.1235 -8.1894 -8.1894 -7.1570 -7.1570 -3.6594 -3.6594 2.4940 2.4940 4.0869 4.0869 4.5791 4.5791 5.2424 5.2424 5.3235 5.3235 5.5971 5.5971 7.6628 7.6628 10.2155 10.2155 11.6656 11.6656 13.9462 13.9462 15.2617 15.2617 k = 0.0581-0.0000 0.4076 ( 6358 PWs) bands (ev): -22.5941 -22.5941 -22.5573 -22.5573 -19.1795 -19.1795 -19.1385 -19.1385 -19.1235 -19.1235 -8.1812 -8.1812 -7.1528 -7.1528 -3.6665 -3.6665 2.5040 2.5040 4.0446 4.0446 4.5586 4.5586 5.2171 5.2171 5.3171 5.3171 5.6157 5.6157 7.7100 7.7100 10.2079 10.2079 11.6172 11.6172 13.9881 13.9881 15.2727 15.2727 k = 0.0698-0.0000 0.4076 ( 6366 PWs) bands (ev): -22.5940 -22.5940 -22.5574 -22.5574 -19.1791 -19.1791 -19.1387 -19.1387 -19.1234 -19.1234 -8.1713 -8.1713 -7.1476 -7.1476 -3.6752 -3.6752 2.5162 2.5162 3.9959 3.9959 4.5314 4.5314 5.1858 5.1858 5.3153 5.3153 5.6355 5.6355 7.7633 7.7633 10.1997 10.1997 11.5598 11.5598 14.0391 14.0391 15.2859 15.2859 k = 0.0814-0.0000 0.4076 ( 6364 PWs) bands (ev): -22.5938 -22.5938 -22.5574 -22.5574 -19.1787 -19.1787 -19.1390 -19.1390 -19.1233 -19.1233 -8.1596 -8.1596 -7.1416 -7.1416 -3.6855 -3.6855 2.5303 2.5303 3.9423 3.9423 4.4966 4.4966 5.1530 5.1530 5.3164 5.3164 5.6554 5.6554 7.8207 7.8207 10.1916 10.1916 11.4946 11.4946 14.0992 14.0992 15.3011 15.3011 k = 0.0930-0.0000 0.4076 ( 6368 PWs) bands (ev): -22.5937 -22.5937 -22.5574 -22.5574 -19.1782 -19.1782 -19.1393 -19.1393 -19.1233 -19.1233 -8.1461 -8.1461 -7.1347 -7.1347 -3.6974 -3.6974 2.5462 2.5462 3.8848 3.8848 4.4534 4.4534 5.1218 5.1218 5.3193 5.3193 5.6742 5.6742 7.8803 7.8803 10.1843 10.1843 11.4224 11.4224 14.1681 14.1681 15.3181 15.3181 k = 0.1047-0.0000 0.4076 ( 6358 PWs) bands (ev): -22.5935 -22.5935 -22.5574 -22.5574 -19.1777 -19.1777 -19.1397 -19.1397 -19.1232 -19.1232 -8.1309 -8.1309 -7.1269 -7.1269 -3.7109 -3.7109 2.5637 2.5637 3.8249 3.8249 4.4017 4.4017 5.0945 5.0945 5.3233 5.3233 5.6909 5.6909 7.9401 7.9401 10.1786 10.1786 11.3445 11.3445 14.2458 14.2458 15.3366 15.3366 k = 0.1163-0.0000 0.4076 ( 6350 PWs) bands (ev): -22.5933 -22.5933 -22.5574 -22.5574 -19.1771 -19.1771 -19.1401 -19.1401 -19.1231 -19.1231 -8.1141 -8.1141 -7.1184 -7.1184 -3.7261 -3.7261 2.5827 2.5827 3.7635 3.7635 4.3418 4.3418 5.0720 5.0720 5.3282 5.3282 5.7048 5.7048 7.9985 7.9985 10.1752 10.1752 11.2620 11.2620 14.3322 14.3322 15.3565 15.3565 k = 0.1279-0.0000 0.4076 ( 6350 PWs) bands (ev): -22.5931 -22.5931 -22.5575 -22.5575 -19.1765 -19.1765 -19.1405 -19.1405 -19.1230 -19.1230 -8.0956 -8.0956 -7.1091 -7.1091 -3.7429 -3.7429 2.6026 2.6026 3.7018 3.7018 4.2745 4.2745 5.0547 5.0547 5.3339 5.3339 5.7152 5.7152 8.0537 8.0537 10.1750 10.1750 11.1760 11.1760 14.4271 14.4271 15.3774 15.3774 k = 0.1395-0.0000 0.4076 ( 6350 PWs) bands (ev): -22.5929 -22.5929 -22.5575 -22.5575 -19.1758 -19.1758 -19.1409 -19.1409 -19.1229 -19.1229 -8.0756 -8.0756 -7.0991 -7.0991 -3.7613 -3.7613 2.6232 2.6232 3.6409 3.6409 4.2013 4.2013 5.0422 5.0422 5.3401 5.3401 5.7216 5.7216 8.1043 8.1043 10.1785 10.1785 11.0877 11.0877 14.5302 14.5302 15.3991 15.3991 k = 0.1512-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5927 -22.5927 -22.5575 -22.5575 -19.1751 -19.1751 -19.1414 -19.1414 -19.1228 -19.1228 -8.0540 -8.0540 -7.0884 -7.0884 -3.7814 -3.7814 2.6438 2.6438 3.5818 3.5818 4.1234 4.1234 5.0340 5.0340 5.3469 5.3469 5.7236 5.7236 8.1489 8.1489 10.1863 10.1863 10.9984 10.9984 14.6415 14.6415 15.4212 15.4212 k = 0.1628-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5924 -22.5924 -22.5576 -22.5576 -19.1743 -19.1743 -19.1419 -19.1419 -19.1227 -19.1227 -8.0309 -8.0309 -7.0771 -7.0771 -3.8030 -3.8030 2.6636 2.6636 3.5258 3.5258 4.0421 4.0421 5.0294 5.0294 5.3541 5.3541 5.7210 5.7210 8.1862 8.1862 10.1987 10.1987 10.9092 10.9092 14.7605 14.7605 15.4437 15.4437 k = 0.1744-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5922 -22.5922 -22.5576 -22.5576 -19.1736 -19.1736 -19.1424 -19.1424 -19.1225 -19.1225 -8.0063 -8.0063 -7.0652 -7.0652 -3.8263 -3.8263 2.6817 2.6817 3.4742 3.4742 3.9588 3.9588 5.0279 5.0279 5.3618 5.3618 5.7137 5.7137 8.2152 8.2152 10.2158 10.2158 10.8215 10.8215 14.8870 14.8870 15.4664 15.4664 k = 0.1860-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5919 -22.5919 -22.5576 -22.5576 -19.1728 -19.1728 -19.1429 -19.1429 -19.1224 -19.1224 -7.9804 -7.9804 -7.0528 -7.0528 -3.8511 -3.8511 2.6967 2.6967 3.4285 3.4285 3.8746 3.8746 5.0288 5.0288 5.3697 5.3697 5.7017 5.7017 8.2351 8.2351 10.2370 10.2370 10.7369 10.7369 15.0203 15.0203 15.4893 15.4893 k = 0.1977-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5916 -22.5916 -22.5577 -22.5577 -19.1719 -19.1719 -19.1435 -19.1435 -19.1223 -19.1223 -7.9532 -7.9532 -7.0399 -7.0399 -3.8775 -3.8775 2.7072 2.7072 3.3903 3.3903 3.7904 3.7904 5.0318 5.0318 5.3780 5.3780 5.6850 5.6850 8.2452 8.2452 10.2610 10.2610 10.6576 10.6576 15.1593 15.1593 15.5134 15.5134 k = 0.2093-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5914 -22.5914 -22.5577 -22.5577 -19.1711 -19.1711 -19.1440 -19.1440 -19.1221 -19.1221 -7.9248 -7.9248 -7.0266 -7.0266 -3.9053 -3.9053 2.7115 2.7115 3.3613 3.3613 3.7073 3.7073 5.0365 5.0365 5.3865 5.3865 5.6639 5.6639 8.2454 8.2454 10.2846 10.2846 10.5871 10.5871 15.3009 15.3009 15.5413 15.5413 k = 0.2209-0.0000 0.4076 ( 6364 PWs) bands (ev): -22.5911 -22.5911 -22.5577 -22.5577 -19.1703 -19.1703 -19.1446 -19.1446 -19.1220 -19.1220 -7.8953 -7.8953 -7.0130 -7.0130 -3.9345 -3.9345 2.7083 2.7083 3.3425 3.3425 3.6263 3.6263 5.0426 5.0426 5.3951 5.3951 5.6388 5.6388 8.2355 8.2355 10.3005 10.3005 10.5331 10.5331 15.4324 15.4324 15.5855 15.5855 k = 0.2326-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5908 -22.5908 -22.5578 -22.5578 -19.1695 -19.1695 -19.1451 -19.1451 -19.1218 -19.1218 -7.8648 -7.8648 -6.9991 -6.9991 -3.9650 -3.9650 2.6968 2.6968 3.3335 3.3335 3.5491 3.5491 5.0497 5.0497 5.4038 5.4038 5.6099 5.6099 8.2157 8.2157 10.2957 10.2957 10.5086 10.5086 15.5154 15.5154 15.6843 15.6843 k = 0.2442-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5905 -22.5905 -22.5578 -22.5578 -19.1686 -19.1686 -19.1456 -19.1456 -19.1217 -19.1217 -7.8333 -7.8333 -6.9850 -6.9850 -3.9968 -3.9968 2.6772 2.6772 3.3309 3.3309 3.4796 3.4796 5.0577 5.0577 5.4123 5.4123 5.5777 5.5777 8.1864 8.1864 10.2651 10.2651 10.5182 10.5182 15.5530 15.5530 15.8344 15.8344 k = 0.2558-0.0000 0.4076 ( 6364 PWs) bands (ev): -22.5902 -22.5902 -22.5579 -22.5579 -19.1678 -19.1678 -19.1461 -19.1461 -19.1215 -19.1215 -7.8010 -7.8010 -6.9707 -6.9707 -4.0297 -4.0297 2.6506 2.6506 3.3209 3.3209 3.4309 3.4309 5.0663 5.0663 5.4204 5.4204 5.5430 5.5430 8.1480 8.1480 10.2206 10.2206 10.5496 10.5496 15.5777 15.5777 16.0031 16.0031 k = 0.2674-0.0000 0.4076 ( 6362 PWs) bands (ev): -22.5899 -22.5899 -22.5579 -22.5579 -19.1671 -19.1671 -19.1466 -19.1466 -19.1214 -19.1214 -7.7681 -7.7681 -6.9565 -6.9565 -4.0636 -4.0636 2.6184 2.6184 3.2816 3.2816 3.4238 3.4238 5.0754 5.0754 5.4271 5.4271 5.5072 5.5072 8.1013 8.1013 10.1732 10.1732 10.5912 10.5912 15.5988 15.5988 16.1809 16.1809 k = 0.2791-0.0000 0.4076 ( 6362 PWs) bands (ev): -22.5897 -22.5897 -22.5579 -22.5579 -19.1663 -19.1663 -19.1470 -19.1470 -19.1212 -19.1212 -7.7347 -7.7347 -6.9422 -6.9422 -4.0983 -4.0983 2.5821 2.5821 3.2244 3.2244 3.4455 3.4455 5.0848 5.0848 5.4277 5.4277 5.4755 5.4755 8.0472 8.0472 10.1274 10.1274 10.6376 10.6376 15.6190 15.6190 16.3638 16.3638 k = 0.2907-0.0000 0.4076 ( 6362 PWs) bands (ev): -22.5894 -22.5894 -22.5580 -22.5580 -19.1656 -19.1656 -19.1474 -19.1474 -19.1211 -19.1211 -7.7009 -7.7009 -6.9280 -6.9280 -4.1337 -4.1337 2.5430 2.5430 3.1647 3.1647 3.4795 3.4795 5.0943 5.0943 5.4069 5.4069 5.4635 5.4635 7.9865 7.9865 10.0852 10.0852 10.6860 10.6860 15.6393 15.6393 16.4924 16.4924 k = 0.3023-0.0000 0.4076 ( 6362 PWs) bands (ev): -22.5891 -22.5891 -22.5580 -22.5580 -19.1650 -19.1650 -19.1477 -19.1477 -19.1209 -19.1209 -7.6669 -7.6669 -6.9140 -6.9140 -4.1695 -4.1695 2.5022 2.5022 3.1072 3.1072 3.5202 3.5202 5.1036 5.1036 5.3696 5.3696 5.4669 5.4669 7.9203 7.9203 10.0473 10.0473 10.7348 10.7348 15.6605 15.6605 16.4343 16.4343 k = 0.3140-0.0000 0.4076 ( 6358 PWs) bands (ev): -22.5889 -22.5889 -22.5580 -22.5580 -19.1644 -19.1644 -19.1480 -19.1480 -19.1208 -19.1208 -7.6328 -7.6328 -6.9003 -6.9003 -4.2056 -4.2056 2.4605 2.4605 3.0532 3.0532 3.5652 3.5652 5.1125 5.1125 5.3284 5.3284 5.4739 5.4739 7.8495 7.8495 10.0136 10.0136 10.7830 10.7830 15.6830 15.6830 16.3686 16.3686 k = 0.3256-0.0000 0.4076 ( 6354 PWs) bands (ev): -22.5886 -22.5886 -22.5581 -22.5581 -19.1639 -19.1639 -19.1483 -19.1483 -19.1206 -19.1206 -7.5990 -7.5990 -6.8869 -6.8869 -4.2417 -4.2417 2.4186 2.4186 3.0033 3.0033 3.6132 3.6132 5.1204 5.1204 5.2869 5.2869 5.4816 5.4816 7.7754 7.7754 9.9841 9.9841 10.8299 10.8299 15.7071 15.7071 16.3050 16.3050 k = 0.3372-0.0000 0.4076 ( 6346 PWs) bands (ev): -22.5884 -22.5884 -22.5581 -22.5581 -19.1635 -19.1635 -19.1484 -19.1484 -19.1205 -19.1205 -7.5655 -7.5655 -6.8740 -6.8740 -4.2776 -4.2776 2.3770 2.3770 2.9579 2.9579 3.6632 3.6632 5.1261 5.1261 5.2473 5.2473 5.4894 5.4894 7.6989 7.6989 9.9584 9.9584 10.8748 10.8748 15.7332 15.7332 16.2443 16.2443 k = 0.3488-0.0000 0.4076 ( 6344 PWs) bands (ev): -22.5881 -22.5881 -22.5581 -22.5581 -19.1631 -19.1631 -19.1485 -19.1485 -19.1203 -19.1203 -7.5327 -7.5327 -6.8615 -6.8615 -4.3130 -4.3130 2.3362 2.3362 2.9168 2.9168 3.7144 3.7144 5.1263 5.1263 5.2135 5.2135 5.4971 5.4971 7.6212 7.6212 9.9362 9.9362 10.9175 10.9175 15.7614 15.7614 16.1868 16.1868 k = 0.3605-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5879 -22.5879 -22.5582 -22.5582 -19.1628 -19.1628 -19.1486 -19.1486 -19.1202 -19.1202 -7.5007 -7.5007 -6.8496 -6.8496 -4.3476 -4.3476 2.2966 2.2966 2.8801 2.8801 3.7661 3.7661 5.1143 5.1143 5.1926 5.1926 5.5045 5.5045 7.5432 7.5432 9.9172 9.9172 10.9575 10.9575 15.7918 15.7918 16.1329 16.1329 k = 0.3721-0.0000 0.4076 ( 6348 PWs) bands (ev): -22.5877 -22.5877 -22.5582 -22.5582 -19.1626 -19.1626 -19.1486 -19.1486 -19.1201 -19.1201 -7.4698 -7.4698 -6.8383 -6.8383 -4.3811 -4.3811 2.2588 2.2588 2.8477 2.8477 3.8177 3.8177 5.0881 5.0881 5.1871 5.1871 5.5116 5.5116 7.4660 7.4660 9.9010 9.9010 10.9946 10.9946 15.8241 15.8241 16.0828 16.0828 k = 0.3837-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5875 -22.5875 -22.5582 -22.5582 -19.1625 -19.1625 -19.1485 -19.1485 -19.1200 -19.1200 -7.4403 -7.4403 -6.8278 -6.8278 -4.4133 -4.4133 2.2229 2.2229 2.8192 2.8192 3.8684 3.8684 5.0556 5.0556 5.1894 5.1894 5.5183 5.5183 7.3907 7.3907 9.8872 9.8872 11.0286 11.0286 15.8582 15.8582 16.0366 16.0366 k = 0.3953-0.0000 0.4076 ( 6360 PWs) bands (ev): -22.5873 -22.5873 -22.5582 -22.5582 -19.1624 -19.1624 -19.1485 -19.1485 -19.1199 -19.1199 -7.4125 -7.4125 -6.8180 -6.8180 -4.4437 -4.4437 2.1894 2.1894 2.7945 2.7945 3.9175 3.9175 5.0223 5.0223 5.1942 5.1942 5.5244 5.5244 7.3182 7.3182 9.8756 9.8756 11.0595 11.0595 15.8934 15.8934 15.9946 15.9946 k = 0.4070-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5872 -22.5872 -22.5582 -22.5582 -19.1623 -19.1623 -19.1483 -19.1483 -19.1198 -19.1198 -7.3866 -7.3866 -6.8091 -6.8091 -4.4720 -4.4720 2.1586 2.1586 2.7732 2.7732 3.9643 3.9643 4.9905 4.9905 5.1998 5.1998 5.5301 5.5301 7.2496 7.2496 9.8659 9.8659 11.0870 11.0870 15.9273 15.9273 15.9591 15.9591 k = 0.4186-0.0000 0.4076 ( 6358 PWs) bands (ev): -22.5870 -22.5870 -22.5583 -22.5583 -19.1623 -19.1623 -19.1482 -19.1482 -19.1197 -19.1197 -7.3629 -7.3629 -6.8010 -6.8010 -4.4980 -4.4980 2.1308 2.1308 2.7553 2.7553 4.0082 4.0082 4.9612 4.9612 5.2053 5.2053 5.5351 5.5351 7.1858 7.1858 9.8578 9.8578 11.1113 11.1113 15.9191 15.9191 15.9700 15.9700 k = 0.4302-0.0000 0.4076 ( 6350 PWs) bands (ev): -22.5869 -22.5869 -22.5583 -22.5583 -19.1623 -19.1623 -19.1481 -19.1481 -19.1196 -19.1196 -7.3417 -7.3417 -6.7940 -6.7940 -4.5212 -4.5212 2.1062 2.1062 2.7403 2.7403 4.0483 4.0483 4.9350 4.9350 5.2105 5.2105 5.5396 5.5396 7.1279 7.1279 9.8512 9.8512 11.1322 11.1322 15.8907 15.8907 16.0046 16.0046 k = 0.4419-0.0000 0.4076 ( 6360 PWs) bands (ev): -22.5868 -22.5868 -22.5583 -22.5583 -19.1623 -19.1623 -19.1480 -19.1480 -19.1195 -19.1195 -7.3232 -7.3232 -6.7879 -6.7879 -4.5415 -4.5415 2.0850 2.0850 2.7280 2.7280 4.0838 4.0838 4.9123 4.9123 5.2151 5.2151 5.5434 5.5434 7.0769 7.0769 9.8459 9.8459 11.1498 11.1498 15.8658 15.8658 16.0382 16.0382 k = 0.4535-0.0000 0.4076 ( 6366 PWs) bands (ev): -22.5867 -22.5867 -22.5583 -22.5583 -19.1623 -19.1623 -19.1478 -19.1478 -19.1195 -19.1195 -7.3078 -7.3078 -6.7829 -6.7829 -4.5585 -4.5585 2.0675 2.0675 2.7183 2.7183 4.1141 4.1141 4.8934 4.8934 5.2189 5.2189 5.5466 5.5466 7.0336 7.0336 9.8418 9.8418 11.1642 11.1642 15.8452 15.8452 16.0686 16.0686 k = 0.4651-0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5867 -22.5867 -22.5583 -22.5583 -19.1623 -19.1623 -19.1477 -19.1477 -19.1194 -19.1194 -7.2955 -7.2955 -6.7789 -6.7789 -4.5720 -4.5720 2.0537 2.0537 2.7109 2.7109 4.1385 4.1385 4.8785 4.8785 5.2220 5.2220 5.5491 5.5491 6.9989 6.9989 9.8386 9.8386 11.1754 11.1754 15.8291 15.8291 16.0944 16.0944 k = 0.4767-0.0000 0.4076 ( 6352 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1623 -19.1623 -19.1477 -19.1477 -19.1194 -19.1194 -7.2866 -7.2866 -6.7761 -6.7761 -4.5818 -4.5818 2.0437 2.0437 2.7058 2.7058 4.1564 4.1564 4.8678 4.8678 5.2243 5.2243 5.5509 5.5509 6.9736 6.9736 9.8365 9.8365 11.1833 11.1833 15.8176 15.8176 16.1141 16.1141 k = 0.4884-0.0000 0.4076 ( 6344 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2812 -7.2812 -6.7744 -6.7744 -4.5878 -4.5878 2.0377 2.0377 2.7027 2.7027 4.1673 4.1673 4.8613 4.8613 5.2256 5.2256 5.5520 5.5520 6.9582 6.9582 9.8352 9.8352 11.1880 11.1880 15.8106 15.8106 16.1265 16.1265 k = 0.5000-0.0000 0.4076 ( 6344 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2794 -7.2794 -6.7738 -6.7738 -4.5898 -4.5898 2.0357 2.0357 2.7017 2.7017 4.1709 4.1709 4.8591 4.8591 5.2261 5.2261 5.5523 5.5523 6.9530 6.9530 9.8348 9.8348 11.1896 11.1896 15.8083 15.8083 16.1307 16.1307 k = 0.5000-0.0000 0.4076 ( 6344 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2794 -7.2794 -6.7738 -6.7738 -4.5898 -4.5898 2.0357 2.0357 2.7017 2.7017 4.1709 4.1709 4.8591 4.8591 5.2261 5.2261 5.5523 5.5523 6.9530 6.9530 9.8348 9.8348 11.1896 11.1896 15.8083 15.8083 16.1307 16.1307 k = 0.5000 0.0114 0.4076 ( 6340 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2790 -7.2790 -6.7737 -6.7737 -4.5891 -4.5891 2.0338 2.0338 2.6945 2.6945 4.1803 4.1803 4.8469 4.8469 5.2094 5.2094 5.5693 5.5693 6.9663 6.9663 9.8376 9.8376 11.1904 11.1904 15.7357 15.7357 16.2062 16.2062 k = 0.5000 0.0228 0.4076 ( 6348 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1193 -19.1193 -7.2776 -7.2776 -6.7735 -6.7735 -4.5873 -4.5873 2.0277 2.0277 2.6735 2.6735 4.2077 4.2077 4.8114 4.8114 5.1669 5.1669 5.6127 5.6127 7.0053 7.0053 9.8462 9.8462 11.1927 11.1927 15.5967 15.5967 16.3539 16.3539 k = 0.5000 0.0342 0.4076 ( 6348 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1193 -19.1193 -7.2754 -7.2754 -6.7730 -6.7730 -4.5842 -4.5842 2.0170 2.0170 2.6414 2.6414 4.2509 4.2509 4.7554 4.7554 5.1106 5.1106 5.6706 5.6706 7.0671 7.0671 9.8606 9.8606 11.1966 11.1966 15.4441 15.4441 16.5208 16.5208 k = 0.5000 0.0456 0.4076 ( 6344 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1625 -19.1625 -19.1476 -19.1476 -19.1193 -19.1193 -7.2723 -7.2723 -6.7724 -6.7724 -4.5799 -4.5799 2.0009 2.0009 2.6015 2.6015 4.3062 4.3062 4.6833 4.6833 5.0477 5.0477 5.7357 5.7357 7.1482 7.1482 9.8808 9.8808 11.2021 11.2021 15.2894 15.2894 16.6956 16.6956 k = 0.5000 0.0570 0.4076 ( 6348 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1625 -19.1625 -19.1476 -19.1476 -19.1193 -19.1193 -7.2683 -7.2683 -6.7717 -6.7717 -4.5745 -4.5745 1.9782 1.9782 2.5576 2.5576 4.3675 4.3675 4.6023 4.6023 4.9818 4.9818 5.8046 5.8046 7.2447 7.2447 9.9070 9.9070 11.2091 11.2091 15.1356 15.1356 16.8752 16.8752 k = 0.5000 0.0684 0.4076 ( 6360 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1626 -19.1626 -19.1476 -19.1476 -19.1192 -19.1192 -7.2635 -7.2635 -6.7707 -6.7707 -4.5679 -4.5679 1.9478 1.9478 2.5134 2.5134 4.4081 4.4081 4.5396 4.5396 4.9149 4.9149 5.8755 5.8755 7.3530 7.3530 9.9392 9.9392 11.2178 11.2178 14.9838 14.9838 17.0583 17.0583 k = 0.5000 0.0798 0.4076 ( 6356 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1627 -19.1627 -19.1476 -19.1476 -19.1192 -19.1192 -7.2579 -7.2579 -6.7696 -6.7696 -4.5601 -4.5601 1.9087 1.9087 2.4721 2.4721 4.3537 4.3537 4.5699 4.5699 4.8484 4.8484 5.9473 5.9473 7.4700 7.4700 9.9775 9.9775 11.2282 11.2282 14.8348 14.8348 17.2442 17.2442 k = 0.5000 0.0912 0.4076 ( 6360 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1628 -19.1628 -19.1475 -19.1475 -19.1191 -19.1191 -7.2516 -7.2516 -6.7684 -6.7684 -4.5513 -4.5513 1.8603 1.8603 2.4360 2.4360 4.2517 4.2517 4.6443 4.6443 4.7847 4.7847 6.0194 6.0194 7.5932 7.5932 10.0222 10.0222 11.2402 11.2402 14.6887 14.6887 17.4323 17.4323 k = 0.5000 0.1026 0.4076 ( 6348 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1629 -19.1629 -19.1475 -19.1475 -19.1191 -19.1191 -7.2445 -7.2445 -6.7670 -6.7670 -4.5414 -4.5414 1.8030 1.8030 2.4059 2.4059 4.1393 4.1393 4.6912 4.6912 4.7588 4.7588 6.0915 6.0915 7.7204 7.7204 10.0733 10.0733 11.2540 11.2540 14.5459 14.5459 17.6218 17.6218 k = 0.5000 0.1140 0.4076 ( 6344 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1630 -19.1630 -19.1475 -19.1475 -19.1190 -19.1190 -7.2367 -7.2367 -6.7655 -6.7655 -4.5305 -4.5305 1.7380 1.7380 2.3819 2.3819 4.0230 4.0230 4.6402 4.6402 4.8355 4.8355 6.1632 6.1632 7.8499 7.8499 10.1310 10.1310 11.2696 11.2696 14.4065 14.4065 17.7736 17.7736 k = 0.5000 0.1254 0.4076 ( 6340 PWs) bands (ev): -22.5867 -22.5867 -22.5582 -22.5582 -19.1632 -19.1632 -19.1475 -19.1475 -19.1189 -19.1189 -7.2282 -7.2282 -6.7639 -6.7639 -4.5187 -4.5187 1.6668 1.6668 2.3633 2.3633 3.9053 3.9053 4.5779 4.5779 4.9260 4.9260 6.2342 6.2342 7.9803 7.9803 10.1952 10.1952 11.2870 11.2870 14.2706 14.2706 17.7484 17.7484 k = 0.5000 0.1368 0.4076 ( 6336 PWs) bands (ev): -22.5867 -22.5867 -22.5581 -22.5581 -19.1633 -19.1633 -19.1475 -19.1475 -19.1188 -19.1188 -7.2192 -7.2192 -6.7621 -6.7621 -4.5060 -4.5060 1.5911 1.5911 2.3489 2.3489 3.7875 3.7875 4.5156 4.5156 5.0180 5.0180 6.3043 6.3043 8.1103 8.1103 10.2661 10.2661 11.3063 11.3063 14.1383 14.1383 17.7016 17.7016 k = 0.5000 0.1482 0.4076 ( 6340 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1634 -19.1634 -19.1474 -19.1474 -19.1188 -19.1188 -7.2096 -7.2096 -6.7603 -6.7603 -4.4924 -4.4924 1.5124 1.5124 2.3380 2.3380 3.6707 3.6707 4.4544 4.4544 5.1096 5.1096 6.3734 6.3734 8.2390 8.2390 10.3435 10.3435 11.3276 11.3276 14.0097 14.0097 17.6427 17.6427 k = 0.5000 0.1595 0.4076 ( 6352 PWs) bands (ev): -22.5868 -22.5868 -22.5581 -22.5581 -19.1636 -19.1636 -19.1474 -19.1474 -19.1187 -19.1187 -7.1996 -7.1996 -6.7584 -6.7584 -4.4782 -4.4782 1.4319 1.4319 2.3294 2.3294 3.5557 3.5557 4.3947 4.3947 5.1999 5.1999 6.4412 6.4412 8.3655 8.3655 10.4274 10.4274 11.3509 11.3509 13.8849 13.8849 17.5753 17.5753 k = 0.5000 0.1709 0.4076 ( 6344 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1638 -19.1638 -19.1474 -19.1474 -19.1186 -19.1186 -7.1892 -7.1892 -6.7564 -6.7564 -4.4633 -4.4633 1.3509 1.3509 2.3225 2.3225 3.4432 3.4432 4.3366 4.3366 5.2883 5.2883 6.5076 6.5076 8.4891 8.4891 10.5176 10.5176 11.3763 11.3763 13.7640 13.7640 17.5025 17.5025 k = 0.5000 0.1823 0.4076 ( 6336 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1639 -19.1639 -19.1474 -19.1474 -19.1185 -19.1185 -7.1784 -7.1784 -6.7544 -6.7544 -4.4479 -4.4479 1.2700 1.2700 2.3166 2.3166 3.3339 3.3339 4.2804 4.2804 5.3742 5.3742 6.5724 6.5724 8.6092 8.6092 10.6136 10.6136 11.4039 11.4039 13.6471 13.6471 17.4268 17.4268 k = 0.5000 0.1937 0.4076 ( 6352 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1641 -19.1641 -19.1473 -19.1473 -19.1184 -19.1184 -7.1673 -7.1673 -6.7523 -6.7523 -4.4319 -4.4319 1.1901 1.1901 2.3110 2.3110 3.2284 3.2284 4.2261 4.2261 5.4573 5.4573 6.6354 6.6354 8.7254 8.7254 10.7149 10.7149 11.4336 11.4336 13.5343 13.5343 17.3501 17.3501 k = 0.5000 0.2051 0.4076 ( 6344 PWs) bands (ev): -22.5869 -22.5869 -22.5579 -22.5579 -19.1643 -19.1643 -19.1473 -19.1473 -19.1183 -19.1183 -7.1561 -7.1561 -6.7502 -6.7502 -4.4157 -4.4157 1.1116 1.1116 2.3051 2.3051 3.1274 3.1274 4.1739 4.1739 5.5371 5.5371 6.6964 6.6964 8.8374 8.8374 10.8210 10.8210 11.4656 11.4656 13.4256 13.4256 17.2737 17.2737 k = 0.5000 0.2165 0.4076 ( 6348 PWs) bands (ev): -22.5870 -22.5870 -22.5579 -22.5579 -19.1645 -19.1645 -19.1473 -19.1473 -19.1182 -19.1182 -7.1447 -7.1447 -6.7481 -6.7481 -4.3991 -4.3991 1.0351 1.0351 2.2983 2.2983 3.0318 3.0318 4.1238 4.1238 5.6135 5.6135 6.7555 6.7555 8.9449 8.9449 10.9312 10.9312 11.4998 11.4998 13.3211 13.3211 17.1985 17.1985 k = 0.5000 0.2279 0.4076 ( 6356 PWs) bands (ev): -22.5870 -22.5870 -22.5579 -22.5579 -19.1647 -19.1647 -19.1472 -19.1472 -19.1181 -19.1181 -7.1333 -7.1333 -6.7460 -6.7460 -4.3825 -4.3825 0.9609 0.9609 2.2898 2.2898 2.9423 2.9423 4.0760 4.0760 5.6861 5.6861 6.8123 6.8123 9.0477 9.0477 11.0446 11.0446 11.5361 11.5361 13.2210 13.2210 17.1252 17.1252 k = 0.5000 0.2393 0.4076 ( 6352 PWs) bands (ev): -22.5870 -22.5870 -22.5578 -22.5578 -19.1648 -19.1648 -19.1472 -19.1472 -19.1180 -19.1180 -7.1220 -7.1220 -6.7439 -6.7439 -4.3658 -4.3658 0.8894 0.8894 2.2788 2.2788 2.8600 2.8600 4.0304 4.0304 5.7548 5.7548 6.8667 6.8667 9.1456 9.1456 11.1603 11.1603 11.5746 11.5746 13.1253 13.1253 17.0544 17.0544 k = 0.5000 0.2507 0.4076 ( 6348 PWs) bands (ev): -22.5871 -22.5871 -22.5578 -22.5578 -19.1650 -19.1650 -19.1472 -19.1472 -19.1179 -19.1179 -7.1108 -7.1108 -6.7419 -6.7419 -4.3492 -4.3492 0.8210 0.8210 2.2642 2.2642 2.7859 2.7859 3.9873 3.9873 5.8194 5.8194 6.9187 6.9187 9.2385 9.2385 11.2772 11.2772 11.6151 11.6151 13.0341 13.0341 16.9865 16.9865 k = 0.5000 0.2621 0.4076 ( 6348 PWs) bands (ev): -22.5871 -22.5871 -22.5578 -22.5578 -19.1652 -19.1652 -19.1472 -19.1472 -19.1178 -19.1178 -7.0998 -7.0998 -6.7399 -6.7399 -4.3328 -4.3328 0.7558 0.7558 2.2451 2.2451 2.7212 2.7212 3.9466 3.9466 5.8799 5.8799 6.9680 6.9680 9.3262 9.3262 11.3944 11.3944 11.6575 11.6575 12.9475 12.9475 16.9218 16.9218 k = 0.5000 0.2735 0.4076 ( 6352 PWs) bands (ev): -22.5871 -22.5871 -22.5577 -22.5577 -19.1653 -19.1653 -19.1471 -19.1471 -19.1177 -19.1177 -7.0891 -7.0891 -6.7379 -6.7379 -4.3168 -4.3168 0.6942 0.6942 2.2207 2.2207 2.6668 2.6668 3.9084 3.9084 5.9361 5.9361 7.0145 7.0145 9.4087 9.4087 11.5107 11.5107 11.7016 11.7016 12.8656 12.8656 16.8606 16.8606 k = 0.5000 0.2849 0.4076 ( 6356 PWs) bands (ev): -22.5871 -22.5871 -22.5577 -22.5577 -19.1655 -19.1655 -19.1471 -19.1471 -19.1176 -19.1176 -7.0788 -7.0788 -6.7361 -6.7361 -4.3013 -4.3013 0.6362 0.6362 2.1908 2.1908 2.6230 2.6230 3.8728 3.8728 5.9880 5.9880 7.0582 7.0582 9.4858 9.4858 11.6246 11.6246 11.7473 11.7473 12.7886 12.7886 16.8031 16.8031 k = 0.5000 0.2963 0.4076 ( 6376 PWs) bands (ev): -22.5872 -22.5872 -22.5577 -22.5577 -19.1657 -19.1657 -19.1471 -19.1471 -19.1175 -19.1175 -7.0690 -7.0690 -6.7343 -6.7343 -4.2864 -4.2864 0.5822 0.5822 2.1563 2.1563 2.5892 2.5892 3.8399 3.8399 6.0357 6.0357 7.0989 7.0989 9.5574 9.5574 11.7337 11.7337 11.7956 11.7956 12.7165 12.7165 16.7496 16.7496 k = 0.5000 0.3077 0.4076 ( 6380 PWs) bands (ev): -22.5872 -22.5872 -22.5577 -22.5577 -19.1658 -19.1658 -19.1471 -19.1471 -19.1174 -19.1174 -7.0597 -7.0597 -6.7326 -6.7326 -4.2722 -4.2722 0.5324 0.5324 2.1187 2.1187 2.5639 2.5639 3.8096 3.8096 6.0790 6.0790 7.1364 7.1364 9.6234 9.6234 11.8234 11.8234 11.8593 11.8593 12.6495 12.6495 16.7001 16.7001 k = 0.5000 0.3191 0.4076 ( 6380 PWs) bands (ev): -22.5872 -22.5872 -22.5576 -22.5576 -19.1659 -19.1659 -19.1471 -19.1471 -19.1174 -19.1174 -7.0510 -7.0510 -6.7311 -6.7311 -4.2590 -4.2590 0.4867 0.4867 2.0797 2.0797 2.5454 2.5454 3.7821 3.7821 6.1181 6.1181 7.1707 7.1707 9.6836 9.6836 11.8775 11.8775 11.9530 11.9530 12.5876 12.5876 16.6549 16.6549 k = 0.5000 0.3305 0.4076 ( 6372 PWs) bands (ev): -22.5872 -22.5872 -22.5576 -22.5576 -19.1661 -19.1661 -19.1470 -19.1470 -19.1173 -19.1173 -7.0431 -7.0431 -6.7297 -6.7297 -4.2467 -4.2467 0.4455 0.4455 2.0413 2.0413 2.5322 2.5322 3.7574 3.7574 6.1529 6.1529 7.2017 7.2017 9.7379 9.7379 11.9236 11.9236 12.0472 12.0472 12.5310 12.5310 16.6141 16.6141 k = 0.5000 0.3419 0.4076 ( 6380 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1662 -19.1662 -19.1470 -19.1470 -19.1172 -19.1172 -7.0359 -7.0359 -6.7284 -6.7284 -4.2356 -4.2356 0.4089 0.4089 2.0048 2.0048 2.5227 2.5227 3.7354 3.7354 6.1835 6.1835 7.2293 7.2293 9.7862 9.7862 11.9669 11.9669 12.1348 12.1348 12.4798 12.4798 16.5778 16.5778 k = 0.5000 0.3533 0.4076 ( 6372 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1663 -19.1663 -19.1470 -19.1470 -19.1172 -19.1172 -7.0295 -7.0295 -6.7273 -6.7273 -4.2257 -4.2257 0.3768 0.3768 1.9715 1.9715 2.5160 2.5160 3.7164 3.7164 6.2099 6.2099 7.2533 7.2533 9.8283 9.8283 12.0075 12.0075 12.2139 12.2139 12.4339 12.4339 16.5461 16.5461 k = 0.5000 0.3647 0.4076 ( 6384 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1663 -19.1663 -19.1470 -19.1470 -19.1171 -19.1171 -7.0240 -7.0240 -6.7263 -6.7263 -4.2172 -4.2172 0.3496 0.3496 1.9422 1.9422 2.5112 2.5112 3.7002 3.7002 6.2322 6.2322 7.2738 7.2738 9.8642 9.8642 12.0448 12.0448 12.2831 12.2831 12.3936 12.3936 16.5190 16.5190 k = 0.5000 0.3761 0.4076 ( 6384 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1664 -19.1664 -19.1470 -19.1470 -19.1171 -19.1171 -7.0195 -7.0195 -6.7255 -6.7255 -4.2100 -4.2100 0.3271 0.3271 1.9175 1.9175 2.5079 2.5079 3.6869 3.6869 6.2504 6.2504 7.2907 7.2907 9.8937 9.8937 12.0783 12.0783 12.3392 12.3392 12.3609 12.3609 16.4968 16.4968 k = 0.5000 0.3875 0.4076 ( 6388 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0159 -7.0159 -6.7249 -6.7249 -4.2044 -4.2044 0.3096 0.3096 1.8978 1.8978 2.5057 2.5057 3.6766 3.6766 6.2645 6.2645 7.3039 7.3039 9.9167 9.9167 12.1073 12.1073 12.3275 12.3275 12.3897 12.3897 16.4794 16.4794 k = 0.5000 0.3989 0.4076 ( 6400 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0133 -7.0133 -6.7244 -6.7244 -4.2004 -4.2004 0.2971 0.2971 1.8836 1.8836 2.5043 2.5043 3.6692 3.6692 6.2745 6.2745 7.3133 7.3133 9.9333 9.9333 12.1307 12.1307 12.3044 12.3044 12.4232 12.4232 16.4670 16.4670 k = 0.5000 0.4103 0.4076 ( 6396 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0117 -7.0117 -6.7242 -6.7242 -4.1979 -4.1979 0.2895 0.2895 1.8750 1.8750 2.5035 2.5035 3.6647 3.6647 6.2805 6.2805 7.3190 7.3190 9.9432 9.9432 12.1468 12.1468 12.2886 12.2886 12.4438 12.4438 16.4595 16.4595 k = 0.5000 0.4217 0.4076 ( 6400 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0112 -7.0112 -6.7241 -6.7241 -4.1971 -4.1971 0.2870 0.2870 1.8721 1.8721 2.5032 2.5032 3.6632 3.6632 6.2825 6.2825 7.3209 7.3209 9.9465 9.9465 12.1527 12.1527 12.2828 12.2828 12.4507 12.4507 16.4570 16.4570 k = 0.5000 0.4217 0.4076 ( 6400 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0112 -7.0112 -6.7241 -6.7241 -4.1971 -4.1971 0.2870 0.2870 1.8721 1.8721 2.5032 2.5032 3.6632 3.6632 6.2825 6.2825 7.3209 7.3209 9.9465 9.9465 12.1527 12.1527 12.2828 12.2828 12.4507 12.4507 16.4570 16.4570 k = 0.4884 0.4217 0.4076 ( 6400 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0118 -7.0118 -6.7246 -6.7246 -4.1997 -4.1997 0.2922 0.2922 1.8749 1.8749 2.5058 2.5058 3.6626 3.6626 6.2824 6.2824 7.3207 7.3207 9.9432 9.9432 12.1557 12.1557 12.2782 12.2782 12.4467 12.4467 16.4602 16.4602 k = 0.4767 0.4217 0.4076 ( 6396 PWs) bands (ev): -22.5874 -22.5874 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0137 -7.0137 -6.7263 -6.7263 -4.2073 -4.2073 0.3078 0.3078 1.8832 1.8832 2.5134 2.5134 3.6608 3.6608 6.2822 6.2822 7.3202 7.3202 9.9333 9.9333 12.1646 12.1646 12.2645 12.2645 12.4349 12.4349 16.4700 16.4700 k = 0.4651 0.4217 0.4076 ( 6388 PWs) bands (ev): -22.5874 -22.5874 -22.5575 -22.5575 -19.1664 -19.1664 -19.1471 -19.1471 -19.1170 -19.1170 -7.0168 -7.0168 -6.7291 -6.7291 -4.2199 -4.2199 0.3337 0.3337 1.8971 1.8971 2.5260 2.5260 3.6579 3.6579 6.2818 6.2818 7.3193 7.3193 9.9168 9.9168 12.1793 12.1793 12.2418 12.2418 12.4156 12.4156 16.4859 16.4859 k = 0.4535 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5875 -22.5875 -22.5575 -22.5575 -19.1664 -19.1664 -19.1472 -19.1472 -19.1171 -19.1171 -7.0210 -7.0210 -6.7329 -6.7329 -4.2373 -4.2373 0.3695 0.3695 1.9165 1.9165 2.5437 2.5437 3.6537 3.6537 6.2812 6.2812 7.3181 7.3181 9.8938 9.8938 12.1983 12.1983 12.2115 12.2115 12.3891 12.3891 16.5076 16.5076 k = 0.4419 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5875 -22.5875 -22.5575 -22.5575 -19.1663 -19.1663 -19.1474 -19.1474 -19.1171 -19.1171 -7.0265 -7.0265 -6.7378 -6.7378 -4.2591 -4.2591 0.4151 0.4151 1.9413 1.9413 2.5663 2.5663 3.6484 3.6484 6.2805 6.2805 7.3166 7.3166 9.8643 9.8643 12.1676 12.1676 12.2277 12.2277 12.3561 12.3561 16.5343 16.5343 k = 0.4302 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5876 -22.5876 -22.5574 -22.5574 -19.1662 -19.1662 -19.1476 -19.1476 -19.1171 -19.1171 -7.0331 -7.0331 -6.7437 -6.7437 -4.2851 -4.2851 0.4700 0.4700 1.9716 1.9716 2.5939 2.5939 3.6421 3.6421 6.2797 6.2797 7.3148 7.3148 9.8286 9.8286 12.1175 12.1175 12.2599 12.2599 12.3172 12.3172 16.5654 16.5654 k = 0.4186 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5878 -22.5878 -22.5574 -22.5574 -19.1661 -19.1661 -19.1478 -19.1478 -19.1172 -19.1172 -7.0408 -7.0408 -6.7505 -6.7505 -4.3149 -4.3149 0.5339 0.5339 2.0073 2.0073 2.6263 2.6263 3.6346 3.6346 6.2787 6.2787 7.3127 7.3127 9.7866 9.7866 12.0584 12.0584 12.2718 12.2718 12.2990 12.2990 16.6000 16.6000 k = 0.4070 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5879 -22.5879 -22.5574 -22.5574 -19.1660 -19.1660 -19.1480 -19.1480 -19.1172 -19.1172 -7.0495 -7.0495 -6.7583 -6.7583 -4.3480 -4.3480 0.6064 0.6064 2.0482 2.0482 2.6636 2.6636 3.6262 3.6262 6.2775 6.2775 7.3103 7.3103 9.7386 9.7386 11.9910 11.9910 12.2223 12.2223 12.3426 12.3426 16.6371 16.6371 k = 0.3953 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5880 -22.5880 -22.5574 -22.5574 -19.1659 -19.1659 -19.1482 -19.1482 -19.1173 -19.1173 -7.0592 -7.0592 -6.7670 -6.7670 -4.3841 -4.3841 0.6868 0.6868 2.0943 2.0943 2.7055 2.7055 3.6169 3.6169 6.2763 6.2763 7.3076 7.3076 9.6846 9.6846 11.9158 11.9158 12.1675 12.1675 12.3923 12.3923 16.6755 16.6755 k = 0.3837 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5882 -22.5882 -22.5573 -22.5573 -19.1658 -19.1658 -19.1484 -19.1484 -19.1174 -19.1174 -7.0698 -7.0698 -6.7765 -6.7765 -4.4228 -4.4228 0.7749 0.7749 2.1456 2.1456 2.7521 2.7521 3.6066 3.6066 6.2749 6.2749 7.3046 7.3046 9.6249 9.6249 11.8333 11.8333 12.1079 12.1079 12.4476 12.4476 16.7141 16.7141 k = 0.3721 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5883 -22.5883 -22.5573 -22.5573 -19.1657 -19.1657 -19.1485 -19.1485 -19.1174 -19.1174 -7.0812 -7.0812 -6.7868 -6.7868 -4.4636 -4.4636 0.8700 0.8700 2.2020 2.2020 2.8032 2.8032 3.5956 3.5956 6.2734 6.2734 7.3014 7.3014 9.5597 9.5597 11.7442 11.7442 12.0437 12.0437 12.5084 12.5084 16.7516 16.7516 k = 0.3605 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5885 -22.5885 -22.5573 -22.5573 -19.1657 -19.1657 -19.1487 -19.1487 -19.1175 -19.1175 -7.0934 -7.0934 -6.7978 -6.7978 -4.5062 -4.5062 0.9718 0.9718 2.2633 2.2633 2.8587 2.8587 3.5839 3.5839 6.2717 6.2717 7.2979 7.2979 9.4891 9.4891 11.6490 11.6490 11.9748 11.9748 12.5745 12.5745 16.7867 16.7867 k = 0.3488 0.4217 0.4076 ( 6372 PWs) bands (ev): -22.5887 -22.5887 -22.5572 -22.5572 -19.1658 -19.1658 -19.1488 -19.1488 -19.1176 -19.1176 -7.1063 -7.1063 -6.8093 -6.8093 -4.5501 -4.5501 1.0798 1.0798 2.3294 2.3294 2.9185 2.9185 3.5715 3.5715 6.2700 6.2700 7.2943 7.2943 9.4134 9.4134 11.5483 11.5483 11.9015 11.9015 12.6459 12.6459 16.8182 16.8182 k = 0.3372 0.4217 0.4076 ( 6368 PWs) bands (ev): -22.5889 -22.5889 -22.5572 -22.5572 -19.1659 -19.1659 -19.1488 -19.1488 -19.1177 -19.1177 -7.1198 -7.1198 -6.8215 -6.8215 -4.5950 -4.5950 1.1934 1.1934 2.4002 2.4002 2.9825 2.9825 3.5586 3.5586 6.2682 6.2682 7.2904 7.2904 9.3326 9.3326 11.4428 11.4428 11.8238 11.8238 12.7225 12.7225 16.8446 16.8446 k = 0.3256 0.4217 0.4076 ( 6372 PWs) bands (ev): -22.5891 -22.5891 -22.5571 -22.5571 -19.1661 -19.1661 -19.1488 -19.1488 -19.1178 -19.1178 -7.1339 -7.1339 -6.8341 -6.8341 -4.6405 -4.6405 1.3123 1.3123 2.4756 2.4756 3.0504 3.0504 3.5453 3.5453 6.2663 6.2663 7.2864 7.2864 9.2471 9.2471 11.3328 11.3328 11.7417 11.7417 12.8042 12.8042 16.8649 16.8649 k = 0.3140 0.4217 0.4076 ( 6368 PWs) bands (ev): -22.5894 -22.5894 -22.5571 -22.5571 -19.1664 -19.1664 -19.1487 -19.1487 -19.1179 -19.1179 -7.1484 -7.1484 -6.8471 -6.8471 -4.6865 -4.6865 1.4361 1.4361 2.5555 2.5555 3.1222 3.1222 3.5316 3.5316 6.2644 6.2644 7.2823 7.2823 9.1571 9.1571 11.2188 11.2188 11.6554 11.6554 12.8907 12.8907 16.8779 16.8779 k = 0.3023 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5896 -22.5896 -22.5570 -22.5570 -19.1667 -19.1667 -19.1485 -19.1485 -19.1180 -19.1180 -7.1632 -7.1632 -6.8605 -6.8605 -4.7325 -4.7325 1.5644 1.5644 2.6397 2.6397 3.1976 3.1976 3.5177 3.5177 6.2624 6.2624 7.2780 7.2780 9.0626 9.0626 11.1014 11.1014 11.5648 11.5648 12.9821 12.9821 16.8829 16.8829 k = 0.2907 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5898 -22.5898 -22.5570 -22.5570 -19.1671 -19.1671 -19.1483 -19.1483 -19.1181 -19.1181 -7.1783 -7.1783 -6.8740 -6.8740 -4.7782 -4.7782 1.6966 1.6966 2.7281 2.7281 3.2761 3.2761 3.5040 3.5040 6.2603 6.2603 7.2736 7.2736 8.9640 8.9640 10.9808 10.9808 11.4702 11.4702 13.0782 13.0782 16.8792 16.8792 k = 0.2791 0.4217 0.4076 ( 6372 PWs) bands (ev): -22.5901 -22.5901 -22.5569 -22.5569 -19.1676 -19.1676 -19.1480 -19.1480 -19.1182 -19.1182 -7.1937 -7.1937 -6.8878 -6.8878 -4.8236 -4.8236 1.8326 1.8326 2.8204 2.8204 3.3571 3.3571 3.4911 3.4911 6.2582 6.2582 7.2691 7.2691 8.8613 8.8613 10.8576 10.8576 11.3715 11.3715 13.1788 13.1788 16.8667 16.8667 k = 0.2674 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5903 -22.5903 -22.5569 -22.5569 -19.1681 -19.1681 -19.1476 -19.1476 -19.1183 -19.1183 -7.2091 -7.2091 -6.9017 -6.9017 -4.8683 -4.8683 1.9719 1.9719 2.9166 2.9166 3.4332 3.4332 3.4861 3.4861 6.2561 6.2561 7.2646 7.2646 8.7549 8.7549 10.7320 10.7320 11.2690 11.2690 13.2838 13.2838 16.8456 16.8456 k = 0.2558 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5906 -22.5906 -22.5568 -22.5568 -19.1687 -19.1687 -19.1472 -19.1472 -19.1184 -19.1184 -7.2245 -7.2245 -6.9156 -6.9156 -4.9121 -4.9121 2.1142 2.1142 3.0164 3.0164 3.4512 3.4512 3.5423 3.5423 6.2540 6.2540 7.2601 7.2601 8.6448 8.6448 10.6045 10.6045 11.1627 11.1627 13.3931 13.3931 16.8162 16.8162 k = 0.2442 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5908 -22.5908 -22.5567 -22.5567 -19.1694 -19.1694 -19.1467 -19.1467 -19.1185 -19.1185 -7.2399 -7.2399 -6.9294 -6.9294 -4.9549 -4.9549 2.2592 2.2592 3.1196 3.1196 3.4401 3.4401 3.6305 3.6305 6.2519 6.2519 7.2556 7.2556 8.5314 8.5314 10.4753 10.4753 11.0528 11.0528 13.5065 13.5065 16.7793 16.7793 k = 0.2326 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5911 -22.5911 -22.5567 -22.5567 -19.1700 -19.1700 -19.1462 -19.1462 -19.1186 -19.1186 -7.2551 -7.2551 -6.9431 -6.9431 -4.9966 -4.9966 2.4064 2.4064 3.2258 3.2258 3.4269 3.4269 3.7236 3.7236 6.2498 6.2498 7.2511 7.2511 8.4146 8.4146 10.3449 10.3449 10.9396 10.9396 13.6238 13.6238 16.7361 16.7361 k = 0.2209 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5914 -22.5914 -22.5566 -22.5566 -19.1707 -19.1707 -19.1457 -19.1457 -19.1187 -19.1187 -7.2701 -7.2701 -6.9566 -6.9566 -5.0369 -5.0369 2.5556 2.5556 3.3340 3.3340 3.4143 3.4143 3.8195 3.8195 6.2477 6.2477 7.2466 7.2466 8.2948 8.2948 10.2136 10.2136 10.8232 10.8232 13.7450 13.7450 16.6875 16.6875 k = 0.2093 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5916 -22.5916 -22.5566 -22.5566 -19.1714 -19.1714 -19.1452 -19.1452 -19.1187 -19.1187 -7.2848 -7.2848 -6.9699 -6.9699 -5.0757 -5.0757 2.7064 2.7064 3.3959 3.3959 3.4508 3.4508 3.9176 3.9176 6.2456 6.2456 7.2422 7.2422 8.1721 8.1721 10.0818 10.0818 10.7041 10.7041 13.8698 13.8698 16.6348 16.6348 k = 0.1977 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5919 -22.5919 -22.5565 -22.5565 -19.1722 -19.1722 -19.1446 -19.1446 -19.1188 -19.1188 -7.2991 -7.2991 -6.9828 -6.9828 -5.1130 -5.1130 2.8586 2.8586 3.3845 3.3845 3.5632 3.5632 4.0174 4.0174 6.2437 6.2437 7.2379 7.2379 8.0467 8.0467 9.9499 9.9499 10.5827 10.5827 13.9981 13.9981 16.5792 16.5792 k = 0.1860 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5921 -22.5921 -22.5565 -22.5565 -19.1729 -19.1729 -19.1441 -19.1441 -19.1189 -19.1189 -7.3130 -7.3130 -6.9954 -6.9954 -5.1486 -5.1486 3.0119 3.0119 3.3718 3.3718 3.6790 3.6790 4.1187 4.1187 6.2417 6.2417 7.2337 7.2337 7.9187 7.9187 9.8184 9.8184 10.4592 10.4592 14.1296 14.1296 16.5218 16.5218 k = 0.1744 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5923 -22.5923 -22.5564 -22.5564 -19.1736 -19.1736 -19.1435 -19.1435 -19.1190 -19.1190 -7.3264 -7.3264 -7.0075 -7.0075 -5.1824 -5.1824 3.1660 3.1660 3.3593 3.3593 3.7965 3.7965 4.2208 4.2208 6.2399 6.2399 7.2297 7.2297 7.7884 7.7884 9.6877 9.6877 10.3344 10.3344 14.2641 14.2641 16.4635 16.4635 k = 0.1628 0.4217 0.4076 ( 6380 PWs) bands (ev): -22.5926 -22.5926 -22.5564 -22.5564 -19.1743 -19.1743 -19.1429 -19.1429 -19.1191 -19.1191 -7.3392 -7.3392 -7.0190 -7.0190 -5.2144 -5.2144 3.3204 3.3204 3.3474 3.3474 3.9149 3.9149 4.3235 4.3235 6.2381 6.2381 7.2258 7.2258 7.6559 7.6559 9.5583 9.5583 10.2087 10.2087 14.4014 14.4014 16.4054 16.4054 k = 0.1512 0.4217 0.4076 ( 6376 PWs) bands (ev): -22.5928 -22.5928 -22.5563 -22.5563 -19.1750 -19.1750 -19.1424 -19.1424 -19.1192 -19.1192 -7.3514 -7.3514 -7.0300 -7.0300 -5.2444 -5.2444 3.3359 3.3359 3.4753 3.4753 4.0336 4.0336 4.4261 4.4261 6.2364 6.2364 7.2220 7.2220 7.5216 7.5216 9.4308 9.4308 10.0828 10.0828 14.5413 14.5413 16.3484 16.3484 k = 0.1395 0.4217 0.4076 ( 6360 PWs) bands (ev): -22.5930 -22.5930 -22.5563 -22.5563 -19.1756 -19.1756 -19.1419 -19.1419 -19.1193 -19.1193 -7.3629 -7.3629 -7.0405 -7.0405 -5.2724 -5.2724 3.3251 3.3251 3.6299 3.6299 4.1518 4.1518 4.5282 4.5282 6.2349 6.2349 7.2181 7.2181 7.3857 7.3857 9.3059 9.3059 9.9577 9.9577 14.6833 14.6833 16.2931 16.2931 k = 0.1279 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5932 -22.5932 -22.5562 -22.5562 -19.1762 -19.1762 -19.1414 -19.1414 -19.1193 -19.1193 -7.3736 -7.3736 -7.0502 -7.0502 -5.2984 -5.2984 3.3150 3.3150 3.7842 3.7842 4.2687 4.2687 4.6290 4.6290 6.2334 6.2334 7.2119 7.2119 7.2509 7.2509 9.1843 9.1843 9.8341 9.8341 14.8271 14.8271 16.2402 16.2402 k = 0.1163 0.4217 0.4076 ( 6356 PWs) bands (ev): -22.5934 -22.5934 -22.5562 -22.5562 -19.1768 -19.1768 -19.1409 -19.1409 -19.1194 -19.1194 -7.3836 -7.3836 -7.0592 -7.0592 -5.3223 -5.3223 3.3056 3.3056 3.9378 3.9378 4.3832 4.3832 4.7278 4.7278 6.2321 6.2321 7.1068 7.1068 7.2139 7.2139 9.0669 9.0669 9.7132 9.7132 14.9723 14.9723 16.1903 16.1903 k = 0.1047 0.4217 0.4076 ( 6356 PWs) bands (ev): -22.5935 -22.5935 -22.5561 -22.5561 -19.1773 -19.1773 -19.1405 -19.1405 -19.1194 -19.1194 -7.3928 -7.3928 -7.0676 -7.0676 -5.3440 -5.3440 3.2969 3.2969 4.0902 4.0902 4.4942 4.4942 4.8237 4.8237 6.2310 6.2310 6.9675 6.9675 7.2105 7.2105 8.9545 8.9545 9.5962 9.5962 15.1181 15.1181 16.1439 16.1439 k = 0.0930 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5937 -22.5937 -22.5561 -22.5561 -19.1778 -19.1778 -19.1401 -19.1401 -19.1195 -19.1195 -7.4011 -7.4011 -7.0751 -7.0751 -5.3636 -5.3636 3.2891 3.2891 4.2410 4.2410 4.6005 4.6005 4.9158 4.9158 6.2299 6.2299 6.8272 6.8272 7.2078 7.2078 8.8483 8.8483 9.4844 9.4844 15.2638 15.2638 16.1014 16.1014 k = 0.0814 0.4217 0.4076 ( 6348 PWs) bands (ev): -22.5938 -22.5938 -22.5561 -22.5561 -19.1783 -19.1783 -19.1397 -19.1397 -19.1195 -19.1195 -7.4086 -7.4086 -7.0818 -7.0818 -5.3809 -5.3809 3.2822 3.2822 4.3893 4.3893 4.7008 4.7008 5.0030 5.0030 6.2290 6.2290 6.6868 6.6868 7.2055 7.2055 8.7494 8.7494 9.3794 9.3794 15.4083 15.4083 16.0631 16.0631 k = 0.0698 0.4217 0.4076 ( 6344 PWs) bands (ev): -22.5940 -22.5940 -22.5560 -22.5560 -19.1787 -19.1787 -19.1394 -19.1394 -19.1196 -19.1196 -7.4151 -7.4151 -7.0877 -7.0877 -5.3960 -5.3960 3.2761 3.2761 4.5339 4.5339 4.7938 4.7938 5.0841 5.0841 6.2283 6.2283 6.5470 6.5470 7.2036 7.2036 8.6593 8.6593 9.2828 9.2828 15.5500 15.5500 16.0294 16.0294 k = 0.0581 0.4217 0.4076 ( 6348 PWs) bands (ev): -22.5941 -22.5941 -22.5560 -22.5560 -19.1790 -19.1790 -19.1392 -19.1392 -19.1196 -19.1196 -7.4206 -7.4206 -7.0927 -7.0927 -5.4088 -5.4088 3.2709 3.2709 4.6725 4.6725 4.8786 4.8786 5.1582 5.1582 6.2277 6.2277 6.4091 6.4091 7.2020 7.2020 8.5793 8.5793 9.1966 9.1966 15.6867 15.6867 16.0006 16.0006 k = 0.0465 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5941 -22.5941 -22.5560 -22.5560 -19.1793 -19.1793 -19.1389 -19.1389 -19.1197 -19.1197 -7.4252 -7.4252 -7.0968 -7.0968 -5.4192 -5.4192 3.2666 3.2666 4.8004 4.8004 4.9553 4.9553 5.2245 5.2245 6.2272 6.2272 6.2750 6.2750 7.2006 7.2006 8.5110 8.5110 9.1225 9.1225 15.8148 15.8148 15.9767 15.9767 k = 0.0349 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5560 -22.5560 -19.1795 -19.1795 -19.1388 -19.1388 -19.1197 -19.1197 -7.4287 -7.4287 -7.1001 -7.1001 -5.4274 -5.4274 3.2632 3.2632 4.9082 4.9082 5.0267 5.0267 5.2828 5.2828 6.1479 6.1479 6.2270 6.2270 7.1996 7.1996 8.4559 8.4559 9.0625 9.0625 15.9293 15.9293 15.9579 15.9579 k = 0.0233 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1797 -19.1797 -19.1386 -19.1386 -19.1197 -19.1197 -7.4313 -7.4313 -7.1024 -7.1024 -5.4333 -5.4333 3.2608 3.2608 4.9829 4.9829 5.0954 5.0954 5.3337 5.3337 6.0352 6.0352 6.2268 6.2268 7.1989 7.1989 8.4153 8.4153 9.0182 9.0182 15.9445 15.9445 16.0226 16.0226 k = 0.0116 0.4217 0.4076 ( 6360 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1386 -19.1386 -19.1197 -19.1197 -7.4328 -7.4328 -7.1038 -7.1038 -5.4368 -5.4368 3.2594 3.2594 5.0227 5.0227 5.1492 5.1492 5.3747 5.3747 5.9505 5.9505 6.2267 6.2267 7.1984 7.1984 8.3905 8.3905 8.9910 8.9910 15.9364 15.9364 16.0816 16.0816 k = 0.0000 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4333 -7.4333 -7.1042 -7.1042 -5.4380 -5.4380 3.2589 3.2589 5.0350 5.0350 5.1694 5.1694 5.3923 5.3923 5.9174 5.9174 6.2267 6.2267 7.1983 7.1983 8.3822 8.3822 8.9818 8.9818 15.9336 15.9336 16.0791 16.0791 k = 0.0000 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4333 -7.4333 -7.1042 -7.1042 -5.4380 -5.4380 3.2589 3.2589 5.0350 5.0350 5.1694 5.1694 5.3923 5.3923 5.9174 5.9174 6.2267 6.2267 7.1983 7.1983 8.3822 8.3822 8.9818 8.9818 15.9336 15.9336 16.0791 16.0791 k = 0.0000 0.4103 0.4076 ( 6356 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4356 -7.4356 -7.1044 -7.1044 -5.4342 -5.4342 3.2603 3.2603 5.0306 5.0306 5.1633 5.1633 5.3920 5.3920 5.9152 5.9152 6.2325 6.2325 7.1962 7.1962 8.3876 8.3876 8.9856 8.9856 15.9231 15.9231 16.0717 16.0717 k = 0.0000 0.3989 0.4076 ( 6356 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4425 -7.4425 -7.1047 -7.1047 -5.4229 -5.4229 3.2646 3.2646 5.0170 5.0170 5.1463 5.1463 5.3913 5.3913 5.9090 5.9090 6.2490 6.2490 7.1900 7.1900 8.4037 8.4037 8.9970 8.9970 15.8976 15.8976 16.0516 16.0516 k = 0.0000 0.3875 0.4076 ( 6354 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1198 -19.1198 -7.4537 -7.4537 -7.1053 -7.1053 -5.4043 -5.4043 3.2718 3.2718 4.9925 4.9925 5.1209 5.1209 5.3903 5.3903 5.8996 5.8996 6.2743 6.2743 7.1803 7.1803 8.4298 8.4298 9.0161 9.0161 15.8660 15.8660 16.0195 16.0195 k = 0.0000 0.3761 0.4076 ( 6356 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1198 -19.1198 -7.4689 -7.4689 -7.1061 -7.1061 -5.3788 -5.3788 3.2818 3.2818 4.9554 4.9554 5.0912 5.0912 5.3892 5.3892 5.8878 5.8878 6.3054 6.3054 7.1678 7.1678 8.4649 8.4649 9.0428 9.0428 15.8325 15.8325 15.9762 15.9762 k = 0.0000 0.3647 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1199 -19.1199 -7.4879 -7.4879 -7.1072 -7.1072 -5.3466 -5.3466 3.2946 3.2946 4.9047 4.9047 5.0600 5.0600 5.3879 5.3879 5.8743 5.8743 6.3397 6.3397 7.1536 7.1536 8.5079 8.5079 9.0772 9.0772 15.7987 15.7987 15.9234 15.9234 k = 0.0000 0.3533 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1200 -19.1200 -7.5102 -7.5102 -7.1084 -7.1084 -5.3084 -5.3084 3.3102 3.3102 4.8416 4.8416 5.0283 5.0283 5.3866 5.3866 5.8598 5.8598 6.3745 6.3745 7.1390 7.1390 8.5574 8.5574 9.1195 9.1195 15.7648 15.7648 15.8630 15.8630 k = 0.0000 0.3419 0.4076 ( 6348 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1384 -19.1384 -19.1201 -19.1201 -7.5352 -7.5352 -7.1098 -7.1098 -5.2646 -5.2646 3.3285 3.3285 4.7684 4.7684 4.9959 4.9959 5.3852 5.3852 5.8445 5.8445 6.4073 6.4073 7.1254 7.1254 8.6121 8.6121 9.1697 9.1697 15.7283 15.7283 15.7994 15.7994 k = 0.0000 0.3305 0.4076 ( 6366 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1384 -19.1384 -19.1202 -19.1202 -7.5627 -7.5627 -7.1114 -7.1114 -5.2157 -5.2157 3.3496 3.3496 4.6872 4.6872 4.9621 4.9621 5.3837 5.3837 5.8288 5.8288 6.4355 6.4355 7.1145 7.1145 8.6708 8.6708 9.2277 9.2277 15.6802 15.6802 15.7431 15.7431 k = 0.0000 0.3191 0.4076 ( 6368 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1384 -19.1384 -19.1203 -19.1203 -7.5921 -7.5921 -7.1132 -7.1132 -5.1623 -5.1623 3.3733 3.3733 4.5999 4.5999 4.9270 4.9270 5.3821 5.3821 5.8130 5.8130 6.4570 6.4570 7.1079 7.1079 8.7323 8.7323 9.2935 9.2935 15.6124 15.6124 15.7038 15.7038 k = 0.0000 0.3077 0.4076 ( 6376 PWs) bands (ev): -22.5943 -22.5943 -22.5562 -22.5562 -19.1799 -19.1799 -19.1384 -19.1384 -19.1204 -19.1204 -7.6230 -7.6230 -7.1151 -7.1151 -5.1049 -5.1049 3.3996 3.3996 4.5079 4.5079 4.8904 4.8904 5.3805 5.3805 5.7972 5.7972 6.4698 6.4698 7.1073 7.1073 8.7959 8.7959 9.3668 9.3668 15.5330 15.5330 15.6743 15.6743 k = 0.0000 0.2963 0.4076 ( 6380 PWs) bands (ev): -22.5943 -22.5943 -22.5562 -22.5562 -19.1799 -19.1799 -19.1384 -19.1384 -19.1206 -19.1206 -7.6550 -7.6550 -7.1171 -7.1171 -5.0441 -5.0441 3.4284 3.4284 4.4121 4.4121 4.8526 4.8526 5.3787 5.3787 5.7816 5.7816 6.4727 6.4727 7.1134 7.1134 8.8608 8.8608 9.4472 9.4472 15.4488 15.4488 15.6490 15.6490 k = 0.0000 0.2849 0.4076 ( 6380 PWs) bands (ev): -22.5943 -22.5943 -22.5563 -22.5563 -19.1799 -19.1799 -19.1383 -19.1383 -19.1207 -19.1207 -7.6877 -7.6877 -7.1193 -7.1193 -4.9802 -4.9802 3.4596 3.4596 4.3136 4.3136 4.8138 4.8138 5.3769 5.3769 5.7662 5.7662 6.4653 6.4653 7.1263 7.1263 8.9267 8.9267 9.5343 9.5343 15.3624 15.3624 15.6260 15.6260 k = 0.0000 0.2735 0.4076 ( 6380 PWs) bands (ev): -22.5943 -22.5943 -22.5563 -22.5563 -19.1799 -19.1799 -19.1383 -19.1383 -19.1209 -19.1209 -7.7208 -7.7208 -7.1215 -7.1215 -4.9138 -4.9138 3.4931 3.4931 4.2131 4.2131 4.7745 4.7745 5.3750 5.3750 5.7512 5.7512 6.4482 6.4482 7.1454 7.1454 8.9933 8.9933 9.6273 9.6273 15.2750 15.2750 15.6045 15.6045 k = 0.0000 0.2621 0.4076 ( 6372 PWs) bands (ev): -22.5943 -22.5943 -22.5564 -22.5564 -19.1799 -19.1799 -19.1383 -19.1383 -19.1210 -19.1210 -7.7540 -7.7540 -7.1239 -7.1239 -4.8453 -4.8453 3.5287 3.5287 4.1114 4.1114 4.7348 4.7348 5.3730 5.3730 5.7365 5.7365 6.4225 6.4225 7.1694 7.1694 9.0605 9.0605 9.7256 9.7256 15.1876 15.1876 15.5842 15.5842 k = 0.0000 0.2507 0.4076 ( 6368 PWs) bands (ev): -22.5943 -22.5943 -22.5564 -22.5564 -19.1800 -19.1800 -19.1382 -19.1382 -19.1212 -19.1212 -7.7871 -7.7871 -7.1263 -7.1263 -4.7751 -4.7751 3.5660 3.5660 4.0094 4.0094 4.6951 4.6951 5.3710 5.3710 5.7222 5.7222 6.3896 6.3896 7.1967 7.1967 9.1282 9.1282 9.8285 9.8285 15.1008 15.1008 15.5648 15.5648 k = 0.0000 0.2393 0.4076 ( 6360 PWs) bands (ev): -22.5943 -22.5943 -22.5565 -22.5565 -19.1800 -19.1800 -19.1382 -19.1382 -19.1213 -19.1213 -7.8198 -7.8198 -7.1288 -7.1288 -4.7037 -4.7037 3.6040 3.6040 3.9085 3.9085 4.6557 4.6557 5.3689 5.3689 5.7084 5.7084 6.3508 6.3508 7.2261 7.2261 9.1963 9.1963 9.9351 9.9351 15.0150 15.0150 15.5459 15.5459 k = 0.0000 0.2279 0.4076 ( 6356 PWs) bands (ev): -22.5943 -22.5943 -22.5565 -22.5565 -19.1800 -19.1800 -19.1382 -19.1382 -19.1215 -19.1215 -7.8519 -7.8519 -7.1313 -7.1313 -4.6315 -4.6315 3.6390 3.6390 3.8128 3.8128 4.6169 4.6169 5.3668 5.3668 5.6950 5.6950 6.3071 6.3071 7.2565 7.2565 9.2649 9.2649 10.0447 10.0447 14.9307 14.9307 15.5273 15.5273 k = 0.0000 0.2165 0.4076 ( 6358 PWs) bands (ev): -22.5943 -22.5943 -22.5566 -22.5566 -19.1800 -19.1800 -19.1381 -19.1381 -19.1217 -19.1217 -7.8833 -7.8833 -7.1338 -7.1338 -4.5588 -4.5588 3.6449 3.6449 3.7488 3.7488 4.5789 4.5789 5.3646 5.3646 5.6821 5.6821 6.2596 6.2596 7.2868 7.2868 9.3336 9.3336 10.1568 10.1568 14.8481 14.8481 15.5089 15.5089 k = 0.0000 0.2051 0.4076 ( 6358 PWs) bands (ev): -22.5943 -22.5943 -22.5567 -22.5567 -19.1800 -19.1800 -19.1381 -19.1381 -19.1218 -19.1218 -7.9137 -7.9137 -7.1364 -7.1364 -4.4861 -4.4861 3.5750 3.5750 3.7635 3.7635 4.5420 4.5420 5.3625 5.3625 5.6696 5.6696 6.2089 6.2089 7.3166 7.3166 9.4025 9.4025 10.2705 10.2705 14.7674 14.7674 15.4905 15.4905 k = 0.0000 0.1937 0.4076 ( 6362 PWs) bands (ev): -22.5943 -22.5943 -22.5567 -22.5567 -19.1801 -19.1801 -19.1381 -19.1381 -19.1220 -19.1220 -7.9431 -7.9431 -7.1389 -7.1389 -4.4138 -4.4138 3.4816 3.4816 3.8051 3.8051 4.5063 4.5063 5.3603 5.3603 5.6576 5.6576 6.1557 6.1557 7.3452 7.3452 9.4713 9.4713 10.3853 10.3853 14.6889 14.6889 15.4719 15.4719 k = 0.0000 0.1823 0.4076 ( 6362 PWs) bands (ev): -22.5943 -22.5943 -22.5568 -22.5568 -19.1801 -19.1801 -19.1381 -19.1381 -19.1222 -19.1222 -7.9712 -7.9712 -7.1414 -7.1414 -4.3422 -4.3422 3.3859 3.3859 3.8525 3.8525 4.4721 4.4721 5.3581 5.3581 5.6460 5.6460 6.1004 6.1004 7.3724 7.3724 9.5396 9.5396 10.5005 10.5005 14.6127 14.6127 15.4532 15.4532 k = 0.0000 0.1709 0.4076 ( 6348 PWs) bands (ev): -22.5943 -22.5943 -22.5568 -22.5568 -19.1801 -19.1801 -19.1380 -19.1380 -19.1223 -19.1223 -7.9981 -7.9981 -7.1438 -7.1438 -4.2719 -4.2719 3.2915 3.2915 3.9026 3.9026 4.4397 4.4397 5.3560 5.3560 5.6350 5.6350 6.0435 6.0435 7.3979 7.3979 9.6073 9.6073 10.6154 10.6154 14.5389 14.5389 15.4343 15.4343 k = 0.0000 0.1595 0.4076 ( 6360 PWs) bands (ev): -22.5943 -22.5943 -22.5569 -22.5569 -19.1801 -19.1801 -19.1380 -19.1380 -19.1225 -19.1225 -8.0236 -8.0236 -7.1462 -7.1462 -4.2031 -4.2031 3.1994 3.1994 3.9543 3.9543 4.4091 4.4091 5.3538 5.3538 5.6244 5.6244 5.9853 5.9853 7.4216 7.4216 9.6739 9.6739 10.7295 10.7295 14.4676 14.4676 15.4154 15.4154 k = 0.0000 0.1482 0.4076 ( 6360 PWs) bands (ev): -22.5943 -22.5943 -22.5569 -22.5569 -19.1802 -19.1802 -19.1380 -19.1380 -19.1226 -19.1226 -8.0477 -8.0477 -7.1485 -7.1485 -4.1364 -4.1364 3.1106 3.1106 4.0069 4.0069 4.3808 4.3808 5.3517 5.3517 5.6143 5.6143 5.9262 5.9262 7.4434 7.4434 9.7389 9.7389 10.8420 10.8420 14.3989 14.3989 15.3964 15.3964 k = 0.0000 0.1368 0.4076 ( 6368 PWs) bands (ev): -22.5943 -22.5943 -22.5570 -22.5570 -19.1802 -19.1802 -19.1380 -19.1380 -19.1227 -19.1227 -8.0702 -8.0702 -7.1507 -7.1507 -4.0721 -4.0721 3.0256 3.0256 4.0598 4.0598 4.3552 4.3552 5.3496 5.3496 5.6047 5.6047 5.8666 5.8666 7.4634 7.4634 9.8020 9.8020 10.9522 10.9522 14.3330 14.3330 15.3776 15.3776 k = 0.0000 0.1254 0.4076 ( 6376 PWs) bands (ev): -22.5944 -22.5944 -22.5570 -22.5570 -19.1802 -19.1802 -19.1380 -19.1380 -19.1229 -19.1229 -8.0911 -8.0911 -7.1527 -7.1527 -4.0108 -4.0108 2.9449 2.9449 4.1118 4.1118 4.3333 4.3333 5.3476 5.3476 5.5953 5.5953 5.8069 5.8069 7.4814 7.4814 9.8627 9.8627 11.0594 11.0594 14.2699 14.2699 15.3592 15.3592 k = 0.0000 0.1140 0.4076 ( 6380 PWs) bands (ev): -22.5944 -22.5944 -22.5571 -22.5571 -19.1802 -19.1802 -19.1380 -19.1380 -19.1230 -19.1230 -8.1103 -8.1103 -7.1547 -7.1547 -3.9528 -3.9528 2.8690 2.8690 4.1602 4.1602 4.3175 4.3175 5.3455 5.3455 5.5860 5.5860 5.7479 5.7479 7.4975 7.4975 9.9204 9.9204 11.1627 11.1627 14.2100 14.2100 15.3414 15.3414 k = 0.0000 0.1026 0.4076 ( 6380 PWs) bands (ev): -22.5944 -22.5944 -22.5571 -22.5571 -19.1802 -19.1802 -19.1379 -19.1379 -19.1231 -19.1231 -8.1279 -8.1279 -7.1565 -7.1565 -3.8986 -3.8986 2.7985 2.7985 4.1980 4.1980 4.3146 4.3146 5.3433 5.3433 5.5760 5.5760 5.6908 5.6908 7.5118 7.5118 9.9747 9.9747 11.2612 11.2612 14.1534 14.1534 15.3244 15.3244 k = 0.0000 0.0912 0.4076 ( 6380 PWs) bands (ev): -22.5944 -22.5944 -22.5572 -22.5572 -19.1803 -19.1803 -19.1379 -19.1379 -19.1232 -19.1232 -8.1437 -8.1437 -7.1581 -7.1581 -3.8487 -3.8487 2.7339 2.7339 4.2141 4.2141 4.3351 4.3351 5.3410 5.3410 5.5628 5.5628 5.6387 5.6387 7.5244 7.5244 10.0251 10.0251 11.3540 11.3540 14.1004 14.1004 15.3084 15.3084 k = 0.0000 0.0798 0.4076 ( 6380 PWs) bands (ev): -22.5944 -22.5944 -22.5572 -22.5572 -19.1803 -19.1803 -19.1379 -19.1379 -19.1233 -19.1233 -8.1577 -8.1577 -7.1596 -7.1596 -3.8034 -3.8034 2.6755 2.6755 4.2121 4.2121 4.3750 4.3750 5.3383 5.3383 5.5382 5.5382 5.6004 5.6004 7.5353 7.5353 10.0710 10.0710 11.4400 11.4400 14.0515 14.0515 15.2937 15.2937 k = 0.0000 0.0684 0.4076 ( 6368 PWs) bands (ev): -22.5944 -22.5944 -22.5572 -22.5572 -19.1803 -19.1803 -19.1379 -19.1379 -19.1234 -19.1234 -8.1699 -8.1699 -7.1609 -7.1609 -3.7632 -3.7632 2.6240 2.6240 4.2036 4.2036 4.4219 4.4219 5.3349 5.3349 5.4981 5.4981 5.5815 5.5815 7.5446 7.5446 10.1119 10.1119 11.5180 11.5180 14.0072 14.0072 15.2806 15.2806 k = 0.0000 0.0570 0.4076 ( 6364 PWs) bands (ev): -22.5944 -22.5944 -22.5572 -22.5572 -19.1803 -19.1803 -19.1379 -19.1379 -19.1234 -19.1234 -8.1803 -8.1803 -7.1620 -7.1620 -3.7284 -3.7284 2.5795 2.5795 4.1941 4.1941 4.4693 4.4693 5.3299 5.3299 5.4540 5.4540 5.5723 5.5723 7.5523 7.5523 10.1474 10.1474 11.5870 11.5870 13.9679 13.9679 15.2691 15.2691 k = 0.0000 0.0456 0.4076 ( 6360 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1235 -19.1235 -8.1888 -8.1888 -7.1630 -7.1630 -3.6995 -3.6995 2.5426 2.5426 4.1854 4.1854 4.5139 4.5139 5.3217 5.3217 5.4151 5.4151 5.5666 5.5666 7.5585 7.5585 10.1771 10.1771 11.6456 11.6456 13.9345 13.9345 15.2594 15.2594 k = 0.0000 0.0342 0.4076 ( 6362 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1235 -19.1235 -8.1954 -8.1954 -7.1637 -7.1637 -3.6766 -3.6766 2.5136 2.5136 4.1783 4.1783 4.5532 4.5532 5.3080 5.3080 5.3874 5.3874 5.5627 5.5627 7.5633 7.5633 10.2006 10.2006 11.6927 11.6927 13.9075 13.9075 15.2518 15.2518 k = 0.0000 0.0228 0.4076 ( 6362 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2002 -8.2002 -7.1642 -7.1642 -3.6601 -3.6601 2.4927 2.4927 4.1730 4.1730 4.5844 4.5844 5.2904 5.2904 5.3723 5.3723 5.5601 5.5601 7.5667 7.5667 10.2176 10.2176 11.7272 11.7272 13.8877 13.8877 15.2462 15.2462 k = 0.0000 0.0114 0.4076 ( 6368 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2030 -8.2030 -7.1645 -7.1645 -3.6501 -3.6501 2.4800 2.4800 4.1698 4.1698 4.6047 4.6047 5.2759 5.2759 5.3656 5.3656 5.5586 5.5586 7.5687 7.5687 10.2279 10.2279 11.7483 11.7483 13.8755 13.8755 15.2429 15.2429 k = 0.0000 0.0000 0.4076 ( 6356 PWs) bands (ev): -22.5944 -22.5944 -22.5573 -22.5573 -19.1803 -19.1803 -19.1379 -19.1379 -19.1236 -19.1236 -8.2040 -8.2040 -7.1646 -7.1646 -3.6468 -3.6468 2.4758 2.4758 4.1688 4.1688 4.6117 4.6117 5.2704 5.2704 5.3637 5.3637 5.5581 5.5581 7.5694 7.5694 10.2313 10.2313 11.7554 11.7554 13.8714 13.8714 15.2417 15.2417 k = 0.0000 0.4217-0.0000 ( 6352 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8432 -7.8432 -7.4753 -7.4753 -3.8544 -3.8544 2.6974 2.6974 4.5826 4.5826 4.8472 4.8472 4.9634 4.9634 5.0372 5.0372 5.4959 5.4959 7.4335 7.4335 9.9809 9.9809 11.5285 11.5285 14.3450 14.3450 15.4878 15.4878 k = 0.0000 0.4217 0.0116 ( 6344 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8422 -7.8422 -7.4752 -7.4752 -3.8575 -3.8575 2.7016 2.7016 4.5824 4.5824 4.8160 4.8160 4.9810 4.9810 5.0528 5.0528 5.4963 5.4963 7.4329 7.4329 9.9778 9.9778 11.5218 11.5218 14.3485 14.3485 15.4888 15.4888 k = 0.0000 0.4217 0.0233 ( 6344 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8392 -7.8392 -7.4750 -7.4750 -3.8668 -3.8668 2.7143 2.7143 4.5804 4.5804 4.7586 4.7586 4.9955 4.9955 5.1027 5.1027 5.4977 5.4977 7.4309 7.4309 9.9687 9.9687 11.5020 11.5020 14.3587 14.3587 15.4917 15.4917 k = 0.0000 0.4217 0.0349 ( 6348 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1226 -19.1226 -7.8342 -7.8342 -7.4745 -7.4745 -3.8823 -3.8823 2.7353 2.7353 4.5719 4.5719 4.7032 4.7032 5.0004 5.0004 5.1702 5.1702 5.5001 5.5001 7.4276 7.4276 9.9535 9.9535 11.4694 11.4694 14.3755 14.3755 15.4966 15.4966 k = 0.0000 0.4217 0.0466 ( 6348 PWs) bands (ev): -22.5942 -22.5942 -22.5570 -22.5570 -19.1800 -19.1800 -19.1379 -19.1379 -19.1225 -19.1225 -7.8273 -7.8273 -7.4739 -7.4739 -3.9036 -3.9036 2.7645 2.7645 4.5447 4.5447 4.6669 4.6669 5.0026 5.0026 5.2430 5.2430 5.5036 5.5036 7.4230 7.4230 9.9326 9.9326 11.4247 11.4247 14.3984 14.3984 15.5032 15.5032 k = 0.0000 0.4217 0.0582 ( 6348 PWs) bands (ev): -22.5942 -22.5942 -22.5569 -22.5569 -19.1800 -19.1800 -19.1379 -19.1379 -19.1225 -19.1225 -7.8184 -7.8184 -7.4732 -7.4732 -3.9307 -3.9307 2.8017 2.8017 4.4939 4.4939 4.6562 4.6562 5.0040 5.0040 5.3174 5.3174 5.5085 5.5085 7.4170 7.4170 9.9061 9.9061 11.3689 11.3689 14.4269 14.4269 15.5116 15.5116 k = 0.0000 0.4217 0.0699 ( 6348 PWs) bands (ev): -22.5942 -22.5942 -22.5569 -22.5569 -19.1800 -19.1800 -19.1379 -19.1379 -19.1224 -19.1224 -7.8075 -7.8075 -7.4723 -7.4723 -3.9632 -3.9632 2.8465 2.8465 4.4312 4.4312 4.6601 4.6601 5.0051 5.0051 5.3908 5.3908 5.5161 5.5161 7.4095 7.4095 9.8745 9.8745 11.3028 11.3028 14.4604 14.4604 15.5216 15.5216 k = 0.0000 0.4217 0.0815 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5569 -22.5569 -19.1800 -19.1800 -19.1379 -19.1379 -19.1224 -19.1224 -7.7948 -7.7948 -7.4712 -7.4712 -4.0009 -4.0009 2.8985 2.8985 4.3648 4.3648 4.6708 4.6708 5.0062 5.0062 5.4574 5.4574 5.5315 5.5315 7.4006 7.4006 9.8379 9.8379 11.2276 11.2276 14.4984 14.4984 15.5330 15.5330 k = 0.0000 0.4217 0.0932 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5569 -22.5569 -19.1800 -19.1800 -19.1379 -19.1379 -19.1223 -19.1223 -7.7801 -7.7801 -7.4700 -7.4700 -4.0433 -4.0433 2.9575 2.9575 4.2976 4.2976 4.6856 4.6856 5.0073 5.0073 5.4982 5.4982 5.5733 5.5733 7.3901 7.3901 9.7969 9.7969 11.1444 11.1444 14.5404 14.5404 15.5457 15.5457 k = 0.0000 0.4217 0.1048 ( 6354 PWs) bands (ev): -22.5942 -22.5942 -22.5568 -22.5568 -19.1800 -19.1800 -19.1380 -19.1380 -19.1222 -19.1222 -7.7636 -7.7636 -7.4686 -7.4686 -4.0901 -4.0901 3.0229 3.0229 4.2308 4.2308 4.7034 4.7034 5.0084 5.0084 5.5145 5.5145 5.6400 5.6400 7.3780 7.3780 9.7519 9.7519 11.0541 11.0541 14.5859 14.5859 15.5596 15.5596 k = 0.0000 0.4217 0.1164 ( 6350 PWs) bands (ev): -22.5942 -22.5942 -22.5568 -22.5568 -19.1800 -19.1800 -19.1380 -19.1380 -19.1221 -19.1221 -7.7453 -7.7453 -7.4672 -7.4672 -4.1410 -4.1410 3.0944 3.0944 4.1650 4.1650 4.7238 4.7238 5.0096 5.0096 5.5249 5.5249 5.7126 5.7126 7.3642 7.3642 9.7032 9.7032 10.9579 10.9579 14.6345 14.6345 15.5743 15.5743 k = 0.0000 0.4217 0.1281 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5568 -22.5568 -19.1800 -19.1800 -19.1380 -19.1380 -19.1220 -19.1220 -7.7252 -7.7252 -7.4656 -7.4656 -4.1954 -4.1954 3.1714 3.1714 4.1005 4.1005 4.7464 4.7464 5.0109 5.0109 5.5343 5.5343 5.7861 5.7861 7.3488 7.3488 9.6515 9.6515 10.8568 10.8568 14.6857 14.6857 15.5897 15.5897 k = 0.0000 0.4217 0.1397 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5567 -22.5567 -19.1800 -19.1800 -19.1380 -19.1380 -19.1219 -19.1219 -7.7034 -7.7034 -7.4639 -7.4639 -4.2530 -4.2530 3.2534 3.2534 4.0378 4.0378 4.7711 4.7711 5.0122 5.0122 5.5437 5.5437 5.8591 5.8591 7.3316 7.3316 9.5970 9.5970 10.7515 10.7515 14.7394 14.7394 15.6055 15.6055 k = 0.0000 0.4217 0.1514 ( 6368 PWs) bands (ev): -22.5942 -22.5942 -22.5567 -22.5567 -19.1799 -19.1799 -19.1380 -19.1380 -19.1218 -19.1218 -7.6800 -7.6800 -7.4621 -7.4621 -4.3134 -4.3134 3.3399 3.3399 3.9769 3.9769 4.7977 4.7977 5.0136 5.0136 5.5535 5.5535 5.9309 5.9309 7.3127 7.3127 9.5404 9.5404 10.6431 10.6431 14.7953 14.7953 15.6216 15.6216 k = 0.0000 0.4217 0.1630 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5566 -22.5566 -19.1799 -19.1799 -19.1381 -19.1381 -19.1217 -19.1217 -7.6550 -7.6550 -7.4602 -7.4602 -4.3761 -4.3761 3.4303 3.4303 3.9182 3.9182 4.8260 4.8260 5.0150 5.0150 5.5639 5.5639 6.0013 6.0013 7.2921 7.2921 9.4819 9.4819 10.5324 10.5324 14.8531 14.8531 15.6378 15.6378 k = 0.0000 0.4217 0.1747 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5566 -22.5566 -19.1799 -19.1799 -19.1381 -19.1381 -19.1215 -19.1215 -7.6285 -7.6285 -7.4582 -7.4582 -4.4407 -4.4407 3.5236 3.5236 3.8623 3.8623 4.8558 4.8558 5.0164 5.0164 5.5749 5.5749 6.0697 6.0697 7.2699 7.2699 9.4220 9.4220 10.4200 10.4200 14.9127 14.9127 15.6540 15.6540 k = 0.0000 0.4217 0.1863 ( 6366 PWs) bands (ev): -22.5942 -22.5942 -22.5565 -22.5565 -19.1799 -19.1799 -19.1381 -19.1381 -19.1214 -19.1214 -7.6006 -7.6006 -7.4562 -7.4562 -4.5067 -4.5067 3.6176 3.6176 3.8109 3.8109 4.8870 4.8870 5.0179 5.0179 5.5867 5.5867 6.1358 6.1358 7.2462 7.2462 9.3611 9.3611 10.3068 10.3068 14.9738 14.9738 15.6700 15.6700 k = 0.0000 0.4217 0.1980 ( 6362 PWs) bands (ev): -22.5942 -22.5942 -22.5565 -22.5565 -19.1799 -19.1799 -19.1381 -19.1381 -19.1213 -19.1213 -7.5716 -7.5716 -7.4540 -7.4540 -4.5739 -4.5739 3.6962 3.6962 3.7798 3.7798 4.9194 4.9194 5.0194 5.0194 5.5991 5.5991 6.1990 6.1990 7.2212 7.2212 9.2994 9.2994 10.1936 10.1936 15.0364 15.0364 15.6857 15.6857 k = 0.0000 0.4217 0.2096 ( 6362 PWs) bands (ev): -22.5942 -22.5942 -22.5565 -22.5565 -19.1799 -19.1799 -19.1382 -19.1382 -19.1211 -19.1211 -7.5416 -7.5416 -7.4516 -7.4516 -4.6416 -4.6416 3.6869 3.6869 3.8410 3.8410 4.9526 4.9526 5.0209 5.0209 5.6124 5.6124 6.2588 6.2588 7.1955 7.1955 9.2373 9.2373 10.0811 10.0811 15.1001 15.1001 15.7013 15.7013 k = 0.0000 0.4217 0.2213 ( 6364 PWs) bands (ev): -22.5942 -22.5942 -22.5564 -22.5564 -19.1799 -19.1799 -19.1382 -19.1382 -19.1210 -19.1210 -7.5109 -7.5109 -7.4488 -7.4488 -4.7096 -4.7096 3.6444 3.6444 3.9395 3.9395 4.9866 4.9866 5.0224 5.0224 5.6265 5.6265 6.3144 6.3144 7.1695 7.1695 9.1748 9.1748 9.9700 9.9700 15.1647 15.1647 15.7166 15.7166 k = 0.0000 0.4217 0.2329 ( 6372 PWs) bands (ev): -22.5943 -22.5943 -22.5564 -22.5564 -19.1799 -19.1799 -19.1382 -19.1382 -19.1209 -19.1209 -7.4810 -7.4810 -7.4444 -7.4444 -4.7775 -4.7775 3.6005 3.6005 4.0429 4.0429 5.0207 5.0207 5.0241 5.0241 5.6415 5.6415 6.3649 6.3649 7.1440 7.1440 9.1122 9.1122 9.8613 9.8613 15.2301 15.2301 15.7320 15.7320 k = 0.0000 0.4217 0.2445 ( 6372 PWs) bands (ev): -22.5943 -22.5943 -22.5563 -22.5563 -19.1799 -19.1799 -19.1383 -19.1383 -19.1208 -19.1208 -7.4583 -7.4583 -7.4322 -7.4322 -4.8447 -4.8447 3.5582 3.5582 4.1478 4.1478 5.0253 5.0253 5.0553 5.0553 5.6575 5.6575 6.4090 6.4090 7.1203 7.1203 9.0496 9.0496 9.7556 9.7556 15.2959 15.2959 15.7474 15.7474 k = 0.0000 0.4217 0.2562 ( 6376 PWs) bands (ev): -22.5943 -22.5943 -22.5563 -22.5563 -19.1799 -19.1799 -19.1383 -19.1383 -19.1206 -19.1206 -7.4500 -7.4500 -7.4052 -7.4052 -4.9108 -4.9108 3.5182 3.5182 4.2530 4.2530 5.0268 5.0268 5.0894 5.0894 5.6745 5.6745 6.4451 6.4451 7.0997 7.0997 8.9870 8.9870 9.6540 9.6540 15.3617 15.3617 15.7632 15.7632 k = 0.0000 0.4217 0.2678 ( 6372 PWs) bands (ev): -22.5943 -22.5943 -22.5562 -22.5562 -19.1798 -19.1798 -19.1383 -19.1383 -19.1205 -19.1205 -7.4465 -7.4465 -7.3733 -7.3733 -4.9755 -4.9755 3.4808 3.4808 4.3576 4.3576 5.0282 5.0282 5.1230 5.1230 5.6927 5.6927 6.4716 6.4716 7.0839 7.0839 8.9244 8.9244 9.5572 9.5572 15.4271 15.4271 15.7795 15.7795 k = 0.0000 0.4217 0.2795 ( 6370 PWs) bands (ev): -22.5943 -22.5943 -22.5562 -22.5562 -19.1798 -19.1798 -19.1384 -19.1384 -19.1204 -19.1204 -7.4442 -7.4442 -7.3404 -7.3404 -5.0382 -5.0382 3.4460 3.4460 4.4608 4.4608 5.0295 5.0295 5.1555 5.1555 5.7119 5.7119 6.4869 6.4869 7.0745 7.0745 8.8618 8.8618 9.4663 9.4663 15.4917 15.4917 15.7966 15.7966 k = 0.0000 0.4217 0.2911 ( 6376 PWs) bands (ev): -22.5943 -22.5943 -22.5562 -22.5562 -19.1798 -19.1798 -19.1384 -19.1384 -19.1203 -19.1203 -7.4422 -7.4422 -7.3076 -7.3076 -5.0984 -5.0984 3.4140 3.4140 4.5618 4.5618 5.0308 5.0308 5.1868 5.1868 5.7322 5.7322 6.4899 6.4899 7.0726 7.0726 8.7995 8.7995 9.3821 9.3821 15.5547 15.5547 15.8147 15.8147 k = 0.0000 0.4217 0.3028 ( 6378 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1384 -19.1384 -19.1202 -19.1202 -7.4405 -7.4405 -7.2756 -7.2756 -5.1556 -5.1556 3.3849 3.3849 4.6597 4.6597 5.0320 5.0320 5.2166 5.2166 5.7535 5.7535 6.4810 6.4810 7.0780 7.0780 8.7378 8.7378 9.3052 9.3052 15.6156 15.6156 15.8342 15.8342 k = 0.0000 0.4217 0.3144 ( 6366 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1384 -19.1384 -19.1201 -19.1201 -7.4390 -7.4390 -7.2447 -7.2447 -5.2093 -5.2093 3.3587 3.3587 4.7532 4.7532 5.0333 5.0333 5.2447 5.2447 5.7757 5.7757 6.4613 6.4613 7.0897 7.0897 8.6773 8.6773 9.2363 9.2363 15.6736 15.6736 15.8552 15.8552 k = 0.0000 0.4217 0.3261 ( 6370 PWs) bands (ev): -22.5943 -22.5943 -22.5561 -22.5561 -19.1798 -19.1798 -19.1385 -19.1385 -19.1200 -19.1200 -7.4377 -7.4377 -7.2155 -7.2155 -5.2588 -5.2588 3.3355 3.3355 4.8412 4.8412 5.0346 5.0346 5.2711 5.2711 5.7983 5.7983 6.4330 6.4330 7.1058 7.1058 8.6188 8.6188 9.1757 9.1757 15.7278 15.7278 15.8779 15.8779 k = 0.0000 0.4217 0.3377 ( 6370 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1199 -19.1199 -7.4366 -7.4366 -7.1886 -7.1886 -5.3035 -5.3035 3.3153 3.3153 4.9215 4.9215 5.0362 5.0362 5.2957 5.2957 5.8212 5.8212 6.3986 6.3986 7.1243 7.1243 8.5636 8.5636 9.1235 9.1235 15.7775 15.7775 15.9025 15.9025 k = 0.0000 0.4217 0.3493 ( 6366 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1199 -19.1199 -7.4356 -7.4356 -7.1645 -7.1645 -5.3428 -5.3428 3.2981 3.2981 4.9908 4.9908 5.0399 5.0399 5.3188 5.3188 5.8437 5.8437 6.3607 6.3607 7.1433 7.1433 8.5130 8.5130 9.0797 9.0797 15.8218 15.8218 15.9290 15.9290 k = 0.0000 0.4217 0.3610 ( 6372 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1198 -19.1198 -7.4348 -7.4348 -7.1437 -7.1437 -5.3761 -5.3761 3.2840 3.2840 5.0280 5.0280 5.0647 5.0647 5.3404 5.3404 5.8654 5.8654 6.3221 6.3221 7.1611 7.1611 8.4686 8.4686 9.0442 9.0442 15.8599 15.8599 15.9573 15.9573 k = 0.0000 0.4217 0.3726 ( 6358 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1198 -19.1198 -7.4342 -7.4342 -7.1269 -7.1269 -5.4027 -5.4027 3.2730 3.2730 5.0330 5.0330 5.1088 5.1088 5.3602 5.3602 5.8851 5.8851 6.2857 6.2857 7.1765 7.1765 8.4321 8.4321 9.0168 9.0168 15.8911 15.8911 15.9875 15.9875 k = 0.0000 0.4217 0.3843 ( 6354 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4337 -7.4337 -7.1144 -7.1144 -5.4221 -5.4221 3.2652 3.2652 5.0343 5.0343 5.1425 5.1425 5.3768 5.3768 5.9018 5.9018 6.2551 6.2551 7.1883 7.1883 8.4048 8.4048 8.9973 8.9973 15.9143 15.9143 16.0195 16.0195 k = 0.0000 0.4217 0.3959 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4334 -7.4334 -7.1068 -7.1068 -5.4340 -5.4340 3.2605 3.2605 5.0348 5.0348 5.1627 5.1627 5.3882 5.3882 5.9132 5.9132 6.2342 6.2342 7.1958 7.1958 8.3879 8.3879 8.9857 8.9857 15.9288 15.9288 16.0531 16.0531 k = 0.0000 0.4217 0.4076 ( 6352 PWs) bands (ev): -22.5943 -22.5943 -22.5560 -22.5560 -19.1798 -19.1798 -19.1385 -19.1385 -19.1197 -19.1197 -7.4333 -7.4333 -7.1042 -7.1042 -5.4380 -5.4380 3.2589 3.2589 5.0350 5.0350 5.1694 5.1694 5.3923 5.3923 5.9174 5.9174 6.2267 6.2267 7.1983 7.1983 8.3822 8.3822 8.9818 8.9818 15.9336 15.9336 16.0791 16.0791 k = 0.5000-0.0000 0.4076 ( 6344 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2794 -7.2794 -6.7738 -6.7738 -4.5898 -4.5898 2.0357 2.0357 2.7017 2.7017 4.1709 4.1709 4.8591 4.8591 5.2261 5.2261 5.5523 5.5523 6.9530 6.9530 9.8348 9.8348 11.1896 11.1896 15.8083 15.8083 16.1307 16.1307 k = 0.5000-0.0000 0.3959 ( 6340 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2815 -7.2815 -6.7718 -6.7718 -4.5903 -4.5903 2.0385 2.0385 2.7035 2.7035 4.1691 4.1691 4.8591 4.8591 5.2269 5.2269 5.5549 5.5549 6.9522 6.9522 9.8292 9.8292 11.1835 11.1835 15.8112 15.8112 16.1285 16.1285 k = 0.5000-0.0000 0.3843 ( 6352 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2875 -7.2875 -6.7658 -6.7658 -4.5921 -4.5921 2.0468 2.0468 2.7088 2.7088 4.1639 4.1639 4.8590 4.8590 5.2294 5.2294 5.5627 5.5627 6.9497 6.9497 9.8128 9.8128 11.1654 11.1654 15.8199 15.8199 16.1223 16.1223 k = 0.5000-0.0000 0.3726 ( 6354 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1624 -19.1624 -19.1476 -19.1476 -19.1194 -19.1194 -7.2973 -7.2973 -6.7562 -6.7562 -4.5950 -4.5950 2.0607 2.0607 2.7176 2.7176 4.1552 4.1552 4.8589 4.8589 5.2335 5.2335 5.5755 5.5755 6.9456 6.9456 9.7856 9.7856 11.1354 11.1354 15.8343 15.8343 16.1126 16.1126 k = 0.5000-0.0000 0.3610 ( 6350 PWs) bands (ev): -22.5866 -22.5866 -22.5583 -22.5583 -19.1623 -19.1623 -19.1475 -19.1475 -19.1194 -19.1194 -7.3104 -7.3104 -6.7434 -6.7434 -4.5990 -4.5990 2.0799 2.0799 2.7299 2.7299 4.1434 4.1434 4.8588 4.8588 5.2392 5.2392 5.5930 5.5930 6.9398 6.9398 9.7481 9.7481 11.0936 11.0936 15.8542 15.8542 16.1003 16.1003 k = 0.5000-0.0000 0.3493 ( 6354 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1475 -19.1475 -19.1195 -19.1195 -7.3261 -7.3261 -6.7279 -6.7279 -4.6041 -4.6041 2.1045 2.1045 2.7458 2.7458 4.1288 4.1288 4.8586 4.8586 5.2465 5.2465 5.6149 5.6149 6.9325 6.9325 9.7008 9.7008 11.0404 11.0404 15.8795 15.8795 16.0867 16.0867 k = 0.5000-0.0000 0.3377 ( 6362 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1474 -19.1474 -19.1195 -19.1195 -7.3441 -7.3441 -6.7103 -6.7103 -4.6103 -4.6103 2.1342 2.1342 2.7652 2.7652 4.1117 4.1117 4.8584 4.8584 5.2554 5.2554 5.6408 5.6408 6.9235 6.9235 9.6443 9.6443 10.9761 10.9761 15.9095 15.9095 16.0734 16.0734 k = 0.5000-0.0000 0.3261 ( 6366 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1473 -19.1473 -19.1196 -19.1196 -7.3637 -7.3637 -6.6910 -6.6910 -4.6174 -4.6174 2.1689 2.1689 2.7882 2.7882 4.0925 4.0925 4.8582 4.8582 5.2657 5.2657 5.6702 5.6702 6.9129 6.9129 9.5795 9.5795 10.9011 10.9011 15.9428 15.9428 16.0630 16.0630 k = 0.5000-0.0000 0.3144 ( 6368 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1472 -19.1472 -19.1197 -19.1197 -7.3847 -7.3847 -6.6705 -6.6705 -4.6253 -4.6253 2.2085 2.2085 2.8148 2.8148 4.0716 4.0716 4.8580 4.8580 5.2774 5.2774 5.7029 5.7029 6.9007 6.9007 9.5071 9.5071 10.8161 10.8161 15.9748 15.9748 16.0609 16.0609 k = 0.5000-0.0000 0.3028 ( 6366 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1472 -19.1472 -19.1197 -19.1197 -7.4066 -7.4066 -6.6491 -6.6491 -4.6341 -4.6341 2.2526 2.2526 2.8450 2.8450 4.0492 4.0492 4.8579 4.8579 5.2904 5.2904 5.7382 5.7382 6.8870 6.8870 9.4280 9.4280 10.7216 10.7216 15.9944 15.9944 16.0791 16.0791 k = 0.5000-0.0000 0.2911 ( 6362 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1471 -19.1471 -19.1198 -19.1198 -7.4291 -7.4291 -6.6271 -6.6271 -4.6437 -4.6437 2.3011 2.3011 2.8789 2.8789 4.0257 4.0257 4.8578 4.8578 5.3045 5.3045 5.7758 5.7758 6.8716 6.8716 9.3431 9.3431 10.6183 10.6183 15.9992 15.9992 16.1206 16.1206 k = 0.5000-0.0000 0.2795 ( 6362 PWs) bands (ev): -22.5865 -22.5865 -22.5584 -22.5584 -19.1623 -19.1623 -19.1469 -19.1469 -19.1199 -19.1199 -7.4519 -7.4519 -6.6049 -6.6049 -4.6538 -4.6538 2.3535 2.3535 2.9165 2.9165 4.0015 4.0015 4.8578 4.8578 5.3197 5.3197 5.8153 5.8153 6.8548 6.8548 9.2532 9.2532 10.5068 10.5068 15.9999 15.9999 16.1751 16.1751 k = 0.5000-0.0000 0.2678 ( 6362 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1623 -19.1623 -19.1468 -19.1468 -19.1200 -19.1200 -7.4749 -7.4749 -6.5826 -6.5826 -4.6645 -4.6645 2.4096 2.4096 2.9578 2.9578 3.9768 3.9768 4.8580 4.8580 5.3358 5.3358 5.8563 5.8563 6.8364 6.8364 9.1594 9.1594 10.3879 10.3879 16.0020 16.0020 16.2375 16.2375 k = 0.5000-0.0000 0.2562 ( 6358 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1623 -19.1623 -19.1467 -19.1467 -19.1201 -19.1201 -7.4977 -7.4977 -6.5604 -6.5604 -4.6756 -4.6756 2.4690 2.4690 3.0029 3.0029 3.9519 3.9519 4.8583 4.8583 5.3526 5.3526 5.8984 5.8984 6.8166 6.8166 9.0624 9.0624 10.2625 10.2625 16.0074 16.0074 16.3060 16.3060 k = 0.5000-0.0000 0.2445 ( 6362 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1623 -19.1623 -19.1466 -19.1466 -19.1202 -19.1202 -7.5204 -7.5204 -6.5384 -6.5384 -4.6871 -4.6871 2.5312 2.5312 3.0517 3.0517 3.9271 3.9271 4.8589 4.8589 5.3699 5.3699 5.9413 5.9413 6.7953 6.7953 8.9633 8.9633 10.1313 10.1313 16.0167 16.0167 16.3798 16.3798 k = 0.5000-0.0000 0.2329 ( 6358 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1622 -19.1622 -19.1465 -19.1465 -19.1203 -19.1203 -7.5426 -7.5426 -6.5169 -6.5169 -4.6988 -4.6988 2.5958 2.5958 3.1045 3.1045 3.9024 3.9024 4.8597 4.8597 5.3876 5.3876 5.9847 5.9847 6.7727 6.7727 8.8628 8.8628 9.9952 9.9952 16.0304 16.0304 16.4585 16.4585 k = 0.5000-0.0000 0.2213 ( 6358 PWs) bands (ev): -22.5864 -22.5864 -22.5585 -22.5585 -19.1622 -19.1622 -19.1463 -19.1463 -19.1204 -19.1204 -7.5644 -7.5644 -6.4959 -6.4959 -4.7106 -4.7106 2.6623 2.6623 3.1611 3.1611 3.8782 3.8782 4.8608 4.8608 5.4052 5.4052 6.0282 6.0282 6.7487 6.7487 8.7618 8.7618 9.8551 9.8551 16.0483 16.0483 16.5417 16.5417 k = 0.5000-0.0000 0.2096 ( 6370 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1622 -19.1622 -19.1462 -19.1462 -19.1205 -19.1205 -7.5856 -7.5856 -6.4756 -6.4756 -4.7225 -4.7225 2.7302 2.7302 3.2215 3.2215 3.8545 3.8545 4.8623 4.8623 5.4226 5.4226 6.0715 6.0715 6.7236 6.7236 8.6611 8.6611 9.7117 9.7117 16.0705 16.0705 16.6291 16.6291 k = 0.5000-0.0000 0.1980 ( 6386 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1622 -19.1622 -19.1461 -19.1461 -19.1206 -19.1206 -7.6060 -7.6060 -6.4560 -6.4560 -4.7343 -4.7343 2.7989 2.7989 3.2856 3.2856 3.8316 3.8316 4.8644 4.8644 5.4393 5.4393 6.1144 6.1144 6.6975 6.6975 8.5614 8.5614 9.5661 9.5661 16.0967 16.0967 16.7196 16.7196 k = 0.5000-0.0000 0.1863 ( 6394 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1622 -19.1622 -19.1459 -19.1459 -19.1207 -19.1207 -7.6257 -7.6257 -6.4371 -6.4371 -4.7460 -4.7460 2.8680 2.8680 3.3534 3.3534 3.8095 3.8095 4.8669 4.8669 5.4551 5.4551 6.1565 6.1565 6.6707 6.6707 8.4633 8.4633 9.4192 9.4192 16.1267 16.1267 16.7744 16.7744 k = 0.5000-0.0000 0.1747 ( 6378 PWs) bands (ev): -22.5863 -22.5863 -22.5586 -22.5586 -19.1622 -19.1622 -19.1458 -19.1458 -19.1208 -19.1208 -7.6445 -7.6445 -6.4192 -6.4192 -4.7575 -4.7575 2.9368 2.9368 3.4244 3.4244 3.7885 3.7885 4.8701 4.8701 5.4695 5.4695 6.1976 6.1976 6.6436 6.6436 8.3675 8.3675 9.2718 9.2718 16.1601 16.1601 16.6878 16.6878 k = 0.5000-0.0000 0.1630 ( 6374 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1622 -19.1622 -19.1457 -19.1457 -19.1209 -19.1209 -7.6624 -7.6624 -6.4021 -6.4021 -4.7686 -4.7686 3.0050 3.0050 3.4982 3.4982 3.7688 3.7688 4.8740 4.8740 5.4819 5.4819 6.2374 6.2374 6.6166 6.6166 8.2744 8.2744 9.1251 9.1251 16.1966 16.1966 16.5989 16.5989 k = 0.5000-0.0000 0.1514 ( 6372 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1622 -19.1622 -19.1456 -19.1456 -19.1210 -19.1210 -7.6793 -7.6793 -6.3860 -6.3860 -4.7793 -4.7793 3.0719 3.0719 3.5740 3.5740 3.7507 3.7507 4.8787 4.8787 5.4917 5.4917 6.2756 6.2756 6.5904 6.5904 8.1843 8.1843 8.9802 8.9802 16.2355 16.2355 16.5141 16.5141 k = 0.5000-0.0000 0.1397 ( 6388 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1622 -19.1622 -19.1454 -19.1454 -19.1211 -19.1211 -7.6951 -7.6951 -6.3710 -6.3710 -4.7895 -4.7895 3.1373 3.1373 3.6491 3.6491 3.7365 3.7365 4.8843 4.8843 5.4985 5.4985 6.3118 6.3118 6.5659 6.5659 8.0974 8.0974 8.8384 8.8384 16.2757 16.2757 16.4350 16.4350 k = 0.5000-0.0000 0.1281 ( 6390 PWs) bands (ev): -22.5862 -22.5862 -22.5587 -22.5587 -19.1621 -19.1621 -19.1453 -19.1453 -19.1212 -19.1212 -7.7098 -7.7098 -6.3571 -6.3571 -4.7992 -4.7992 3.2005 3.2005 3.6982 3.6982 3.7507 3.7507 4.8909 4.8909 5.5015 5.5015 6.3457 6.3457 6.5440 6.5440 8.0135 8.0135 8.7011 8.7011 16.3101 16.3101 16.3685 16.3685 k = 0.5000-0.0000 0.1164 ( 6394 PWs) bands (ev): -22.5862 -22.5862 -22.5588 -22.5588 -19.1621 -19.1621 -19.1452 -19.1452 -19.1213 -19.1213 -7.7234 -7.7234 -6.3442 -6.3442 -4.8083 -4.8083 3.2611 3.2611 3.6930 3.6930 3.8208 3.8208 4.8986 4.8986 5.5002 5.5002 6.3768 6.3768 6.5262 6.5262 7.9324 7.9324 8.5700 8.5700 16.2785 16.2785 16.3746 16.3746 k = 0.5000-0.0000 0.1048 ( 6394 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1451 -19.1451 -19.1214 -19.1214 -7.7359 -7.7359 -6.3325 -6.3325 -4.8167 -4.8167 3.3185 3.3185 3.6809 3.6809 3.8984 3.8984 4.9074 4.9074 5.4940 5.4940 6.4044 6.4044 6.5138 6.5138 7.8535 7.8535 8.4469 8.4469 16.2176 16.2176 16.4163 16.4163 k = 0.5000-0.0000 0.0932 ( 6402 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1450 -19.1450 -19.1214 -19.1214 -7.7471 -7.7471 -6.3219 -6.3219 -4.8243 -4.8243 3.3723 3.3723 3.6691 3.6691 3.9752 3.9752 4.9173 4.9173 5.4828 5.4828 6.4272 6.4272 6.5088 6.5088 7.7759 7.7759 8.3341 8.3341 16.1601 16.1601 16.4603 16.4603 k = 0.5000-0.0000 0.0815 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1449 -19.1449 -19.1215 -19.1215 -7.7570 -7.7570 -6.3125 -6.3125 -4.8312 -4.8312 3.4217 3.4217 3.6586 3.6586 4.0492 4.0492 4.9284 4.9284 5.4666 5.4666 6.4444 6.4444 6.5125 6.5125 7.6993 7.6993 8.2334 8.2334 16.1085 16.1085 16.4903 16.4903 k = 0.5000-0.0000 0.0699 ( 6398 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1449 -19.1449 -19.1216 -19.1216 -7.7657 -7.7657 -6.3044 -6.3044 -4.8372 -4.8372 3.4660 3.4660 3.6494 3.6494 4.1186 4.1186 4.9404 4.9404 5.4462 5.4462 6.4571 6.4571 6.5239 6.5239 7.6235 7.6235 8.1466 8.1466 16.0631 16.0631 16.4419 16.4419 k = 0.5000-0.0000 0.0582 ( 6394 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1448 -19.1448 -19.1216 -19.1216 -7.7731 -7.7731 -6.2975 -6.2975 -4.8424 -4.8424 3.5045 3.5045 3.6420 3.6420 4.1819 4.1819 4.9531 4.9531 5.4225 5.4225 6.4682 6.4682 6.5392 6.5392 7.5496 7.5496 8.0746 8.0746 16.0244 16.0244 16.4006 16.4006 k = 0.5000-0.0000 0.0466 ( 6400 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1448 -19.1448 -19.1216 -19.1216 -7.7791 -7.7791 -6.2918 -6.2918 -4.8467 -4.8467 3.5364 3.5364 3.6366 3.6366 4.2373 4.2373 4.9661 4.9661 5.3975 5.3975 6.4795 6.4795 6.5556 6.5556 7.4799 7.4799 8.0175 8.0175 15.9925 15.9925 16.3667 16.3667 k = 0.5000-0.0000 0.0349 ( 6408 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7839 -7.7839 -6.2873 -6.2873 -4.8500 -4.8500 3.5609 3.5609 3.6334 3.6334 4.2830 4.2830 4.9785 4.9785 5.3732 5.3732 6.4906 6.4906 6.5714 6.5714 7.4181 7.4181 7.9745 7.9745 15.9675 15.9675 16.3402 16.3402 k = 0.5000-0.0000 0.0233 ( 6408 PWs) bands (ev): -22.5861 -22.5861 -22.5588 -22.5588 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7873 -7.7873 -6.2842 -6.2842 -4.8525 -4.8525 3.5772 3.5772 3.6326 3.6326 4.3172 4.3172 4.9892 4.9892 5.3526 5.3526 6.5000 6.5000 6.5849 6.5849 7.3688 7.3688 7.9447 7.9447 15.9496 15.9496 16.3212 16.3212 k = 0.5000-0.0000 0.0116 ( 6412 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7893 -7.7893 -6.2823 -6.2823 -4.8539 -4.8539 3.5858 3.5858 3.6335 3.6335 4.3384 4.3384 4.9967 4.9967 5.3385 5.3385 6.5063 6.5063 6.5944 6.5944 7.3366 7.3366 7.9272 7.9272 15.9388 15.9388 16.3097 16.3097 k = 0.5000-0.0000-0.0000 ( 6416 PWs) bands (ev): -22.5861 -22.5861 -22.5589 -22.5589 -19.1621 -19.1621 -19.1447 -19.1447 -19.1217 -19.1217 -7.7900 -7.7900 -6.2816 -6.2816 -4.8544 -4.8544 3.5883 3.5883 3.6341 3.6341 4.3456 4.3456 4.9994 4.9994 5.3335 5.3335 6.5085 6.5085 6.5978 6.5978 7.3254 7.3254 7.9214 7.9214 15.9352 15.9352 16.3059 16.3059 k = 0.5000 0.4217-0.0000 ( 6416 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0472 -7.0472 -6.9437 -6.9437 -4.4804 -4.4804 1.6083 1.6083 2.2510 2.2510 4.3911 4.3911 4.9401 4.9401 5.2610 5.2610 5.3997 5.3997 6.9979 6.9979 10.1924 10.1924 11.5304 11.5304 15.3526 15.3526 15.9743 15.9743 k = 0.5000 0.4217 0.0116 ( 6404 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0471 -7.0471 -6.9433 -6.9433 -4.4799 -4.4799 1.6068 1.6068 2.2464 2.2464 4.3977 4.3977 4.9285 4.9285 5.2249 5.2249 5.4364 5.4364 7.0111 7.0111 10.1947 10.1947 11.5311 11.5311 15.3125 15.3125 16.0177 16.0177 k = 0.5000 0.4217 0.0233 ( 6392 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1442 -19.1442 -19.1193 -19.1193 -7.0469 -7.0469 -6.9421 -6.9421 -4.4783 -4.4783 1.6022 1.6022 2.2330 2.2330 4.4171 4.4171 4.8945 4.8945 5.1577 5.1577 5.5055 5.5055 7.0497 7.0497 10.2019 10.2019 11.5331 11.5331 15.2145 15.2145 16.1253 16.1253 k = 0.5000 0.4217 0.0349 ( 6396 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1443 -19.1443 -19.1193 -19.1193 -7.0465 -7.0465 -6.9400 -6.9400 -4.4758 -4.4758 1.5941 1.5941 2.2118 2.2118 4.4484 4.4484 4.8410 4.8410 5.0844 5.0844 5.5819 5.5819 7.1110 7.1110 10.2139 10.2139 11.5365 11.5365 15.0901 15.0901 16.2659 16.2659 k = 0.5000 0.4217 0.0466 ( 6380 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1443 -19.1443 -19.1193 -19.1193 -7.0460 -7.0460 -6.9372 -6.9372 -4.4722 -4.4722 1.5823 1.5823 2.1843 2.1843 4.4892 4.4892 4.7726 4.7726 5.0099 5.0099 5.6608 5.6608 7.1916 7.1916 10.2307 10.2307 11.5412 11.5412 14.9552 14.9552 16.4232 16.4232 k = 0.5000 0.4217 0.0582 ( 6380 PWs) bands (ev): -22.5868 -22.5868 -22.5580 -22.5580 -19.1661 -19.1661 -19.1444 -19.1444 -19.1192 -19.1192 -7.0454 -7.0454 -6.9335 -6.9335 -4.4676 -4.4676 1.5659 1.5659 2.1526 2.1526 4.5336 4.5336 4.6972 4.6972 4.9356 4.9356 5.7406 5.7406 7.2878 7.2878 10.2525 10.2525 11.5472 11.5472 14.8169 14.8169 16.5904 16.5904 k = 0.5000 0.4217 0.0699 ( 6384 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1661 -19.1661 -19.1444 -19.1444 -19.1192 -19.1192 -7.0447 -7.0447 -6.9291 -6.9291 -4.4621 -4.4621 1.5445 1.5445 2.1186 2.1186 4.5441 4.5441 4.6538 4.6538 4.8628 4.8628 5.8208 5.8208 7.3961 7.3961 10.2794 10.2794 11.5547 11.5547 14.6782 14.6782 16.7643 16.7643 k = 0.5000 0.4217 0.0815 ( 6384 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1662 -19.1662 -19.1445 -19.1445 -19.1191 -19.1191 -7.0438 -7.0438 -6.9240 -6.9240 -4.4557 -4.4557 1.5171 1.5171 2.0846 2.0846 4.4690 4.4690 4.6925 4.6925 4.7942 4.7942 5.9011 5.9011 7.5135 7.5135 10.3113 10.3113 11.5636 11.5636 14.5408 14.5408 16.9432 16.9432 k = 0.5000 0.4217 0.0932 ( 6384 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1662 -19.1662 -19.1446 -19.1446 -19.1190 -19.1190 -7.0428 -7.0428 -6.9181 -6.9181 -4.4484 -4.4484 1.4834 1.4834 2.0523 2.0523 4.3686 4.3686 4.7041 4.7041 4.7803 4.7803 5.9810 5.9810 7.6376 7.6376 10.3485 10.3485 11.5740 11.5740 14.4057 14.4057 17.1261 17.1261 k = 0.5000 0.4217 0.1048 ( 6384 PWs) bands (ev): -22.5869 -22.5869 -22.5580 -22.5580 -19.1662 -19.1662 -19.1447 -19.1447 -19.1190 -19.1190 -7.0417 -7.0417 -6.9116 -6.9116 -4.4403 -4.4403 1.4430 1.4430 2.0232 2.0232 4.2616 4.2616 4.6416 4.6416 4.8498 4.8498 6.0604 6.0604 7.7662 7.7662 10.3911 10.3911 11.5858 11.5858 14.2733 14.2733 17.3123 17.3123 k = 0.5000 0.4217 0.1164 ( 6376 PWs) bands (ev): -22.5869 -22.5869 -22.5579 -22.5579 -19.1662 -19.1662 -19.1447 -19.1447 -19.1189 -19.1189 -7.0405 -7.0405 -6.9045 -6.9045 -4.4314 -4.4314 1.3963 1.3963 1.9980 1.9980 4.1519 4.1519 4.5748 4.5748 4.9295 4.9295 6.1391 6.1391 7.8977 7.8977 10.4391 10.4391 11.5991 11.5991 14.1440 14.1440 17.5013 17.5013 k = 0.5000 0.4217 0.1281 ( 6380 PWs) bands (ev): -22.5869 -22.5869 -22.5579 -22.5579 -19.1662 -19.1662 -19.1448 -19.1448 -19.1188 -19.1188 -7.0392 -7.0392 -6.8969 -6.8969 -4.4217 -4.4217 1.3439 1.3439 1.9768 1.9768 4.0413 4.0413 4.5088 4.5088 5.0127 5.0127 6.2169 6.2169 8.0306 8.0306 10.4927 10.4927 11.6140 11.6140 14.0181 14.0181 17.6926 17.6926 k = 0.5000 0.4217 0.1397 ( 6372 PWs) bands (ev): -22.5870 -22.5870 -22.5579 -22.5579 -19.1662 -19.1662 -19.1449 -19.1449 -19.1187 -19.1187 -7.0378 -7.0378 -6.8887 -6.8887 -4.4114 -4.4114 1.2867 1.2867 1.9597 1.9597 3.9311 3.9311 4.4445 4.4445 5.0975 5.0975 6.2936 6.2936 8.1637 8.1637 10.5518 10.5518 11.6305 11.6305 13.8959 13.8959 17.8851 17.8851 k = 0.5000 0.4217 0.1514 ( 6368 PWs) bands (ev): -22.5870 -22.5870 -22.5579 -22.5579 -19.1662 -19.1662 -19.1451 -19.1451 -19.1186 -19.1186 -7.0364 -7.0364 -6.8801 -6.8801 -4.4005 -4.4005 1.2259 1.2259 1.9459 1.9459 3.8221 3.8221 4.3821 4.3821 5.1828 5.1828 6.3689 6.3689 8.2959 8.2959 10.6167 10.6167 11.6487 11.6487 13.7774 13.7774 18.0543 18.0543 k = 0.5000 0.4217 0.1630 ( 6368 PWs) bands (ev): -22.5870 -22.5870 -22.5579 -22.5579 -19.1662 -19.1662 -19.1452 -19.1452 -19.1185 -19.1185 -7.0348 -7.0348 -6.8711 -6.8711 -4.3890 -4.3890 1.1625 1.1625 1.9351 1.9351 3.7149 3.7149 4.3218 4.3218 5.2680 5.2680 6.4427 6.4427 8.4263 8.4263 10.6871 10.6871 11.6685 11.6685 13.6629 13.6629 17.9988 17.9988 k = 0.5000 0.4217 0.1747 ( 6376 PWs) bands (ev): -22.5870 -22.5870 -22.5578 -22.5578 -19.1663 -19.1663 -19.1453 -19.1453 -19.1184 -19.1184 -7.0333 -7.0333 -6.8618 -6.8618 -4.3772 -4.3772 1.0977 1.0977 1.9266 1.9266 3.6102 3.6102 4.2635 4.2635 5.3521 5.3521 6.5148 6.5148 8.5540 8.5540 10.7629 10.7629 11.6900 11.6900 13.5524 13.5524 17.9217 17.9217 k = 0.5000 0.4217 0.1863 ( 6380 PWs) bands (ev): -22.5870 -22.5870 -22.5578 -22.5578 -19.1663 -19.1663 -19.1454 -19.1454 -19.1183 -19.1183 -7.0317 -7.0317 -6.8522 -6.8522 -4.3649 -4.3649 1.0323 1.0323 1.9200 1.9200 3.5085 3.5085 4.2076 4.2076 5.4346 5.4346 6.5850 6.5850 8.6784 8.6784 10.8440 10.8440 11.7133 11.7133 13.4461 13.4461 17.8413 17.8413 k = 0.5000 0.4217 0.1980 ( 6380 PWs) bands (ev): -22.5871 -22.5871 -22.5578 -22.5578 -19.1663 -19.1663 -19.1455 -19.1455 -19.1182 -19.1182 -7.0301 -7.0301 -6.8425 -6.8425 -4.3525 -4.3525 0.9672 0.9672 1.9148 1.9148 3.4102 3.4102 4.1540 4.1540 5.5151 5.5151 6.6531 6.6531 8.7989 8.7989 10.9300 10.9300 11.7383 11.7383 13.3441 13.3441 17.7606 17.7606 k = 0.5000 0.4217 0.2096 ( 6380 PWs) bands (ev): -22.5871 -22.5871 -22.5578 -22.5578 -19.1663 -19.1663 -19.1457 -19.1457 -19.1181 -19.1181 -7.0285 -7.0285 -6.8326 -6.8326 -4.3398 -4.3398 0.9028 0.9028 1.9106 1.9106 3.3157 3.3157 4.1028 4.1028 5.5929 5.5929 6.7190 6.7190 8.9148 8.9148 11.0204 11.0204 11.7650 11.7650 13.2465 13.2465 17.6812 17.6812 k = 0.5000 0.4217 0.2213 ( 6380 PWs) bands (ev): -22.5871 -22.5871 -22.5577 -22.5577 -19.1663 -19.1663 -19.1458 -19.1458 -19.1180 -19.1180 -7.0269 -7.0269 -6.8228 -6.8228 -4.3271 -4.3271 0.8400 0.8400 1.9073 1.9073 3.2253 3.2253 4.0542 4.0542 5.6678 5.6678 6.7823 6.7823 9.0259 9.0259 11.1146 11.1146 11.7933 11.7933 13.1535 13.1535 17.6039 17.6039 k = 0.5000 0.4217 0.2329 ( 6388 PWs) bands (ev): -22.5871 -22.5871 -22.5577 -22.5577 -19.1664 -19.1664 -19.1459 -19.1459 -19.1179 -19.1179 -7.0253 -7.0253 -6.8130 -6.8130 -4.3144 -4.3144 0.7790 0.7790 1.9045 1.9045 3.1394 3.1394 4.0081 4.0081 5.7393 5.7393 6.8430 6.8430 9.1317 9.1317 11.2119 11.2119 11.8233 11.8233 13.0652 13.0652 17.5294 17.5294 k = 0.5000 0.4217 0.2445 ( 6384 PWs) bands (ev): -22.5872 -22.5872 -22.5577 -22.5577 -19.1664 -19.1664 -19.1460 -19.1460 -19.1178 -19.1178 -7.0237 -7.0237 -6.8033 -6.8033 -4.3018 -4.3018 0.7204 0.7204 1.9021 1.9021 3.0582 3.0582 3.9647 3.9647 5.8071 5.8071 6.9008 6.9008 9.2319 9.2319 11.3114 11.3114 11.8547 11.8547 12.9817 12.9817 17.4581 17.4581 k = 0.5000 0.4217 0.2562 ( 6380 PWs) bands (ev): -22.5872 -22.5872 -22.5577 -22.5577 -19.1664 -19.1664 -19.1461 -19.1461 -19.1177 -19.1177 -7.0222 -7.0222 -6.7939 -6.7939 -4.2895 -4.2895 0.6645 0.6645 1.8999 1.8999 2.9819 2.9819 3.9240 3.9240 5.8710 5.8710 6.9556 6.9556 9.3264 9.3264 11.4120 11.4120 11.8874 11.8874 12.9032 12.9032 17.3899 17.3899 k = 0.5000 0.4217 0.2678 ( 6380 PWs) bands (ev): -22.5872 -22.5872 -22.5576 -22.5576 -19.1664 -19.1664 -19.1462 -19.1462 -19.1176 -19.1176 -7.0207 -7.0207 -6.7848 -6.7848 -4.2776 -4.2776 0.6116 0.6116 1.8976 1.8976 2.9109 2.9109 3.8861 3.8861 5.9308 5.9308 7.0071 7.0071 9.4148 9.4148 11.5126 11.5126 11.9211 11.9211 12.8299 12.8299 17.3242 17.3242 k = 0.5000 0.4217 0.2795 ( 6380 PWs) bands (ev): -22.5872 -22.5872 -22.5576 -22.5576 -19.1664 -19.1664 -19.1464 -19.1464 -19.1175 -19.1175 -7.0194 -7.0194 -6.7760 -6.7760 -4.2661 -4.2661 0.5620 0.5620 1.8954 1.8954 2.8453 2.8453 3.8510 3.8510 5.9862 5.9862 7.0553 7.0553 9.4970 9.4970 11.6119 11.6119 11.9557 11.9557 12.7621 12.7621 17.2549 17.2549 k = 0.5000 0.4217 0.2911 ( 6368 PWs) bands (ev): -22.5872 -22.5872 -22.5576 -22.5576 -19.1665 -19.1665 -19.1464 -19.1464 -19.1174 -19.1174 -7.0180 -7.0180 -6.7678 -6.7678 -4.2552 -4.2552 0.5160 0.5160 1.8930 1.8930 2.7853 2.7853 3.8188 3.8188 6.0371 6.0371 7.0999 7.0999 9.5729 9.5729 11.7084 11.7084 11.9907 11.9907 12.6999 12.6999 17.1572 17.1572 k = 0.5000 0.4217 0.3028 ( 6368 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1665 -19.1665 -19.1465 -19.1465 -19.1174 -19.1174 -7.0168 -7.0168 -6.7600 -6.7600 -4.2450 -4.2450 0.4737 0.4737 1.8905 1.8905 2.7311 2.7311 3.7896 3.7896 6.0834 6.0834 7.1407 7.1407 9.6422 9.6422 11.8004 11.8004 12.0260 12.0260 12.6437 12.6437 17.0435 17.0435 k = 0.5000 0.4217 0.3144 ( 6380 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1665 -19.1665 -19.1466 -19.1466 -19.1173 -19.1173 -7.0157 -7.0157 -6.7529 -6.7529 -4.2355 -4.2355 0.4354 0.4354 1.8879 1.8879 2.6826 2.6826 3.7632 3.7632 6.1250 6.1250 7.1777 7.1777 9.7048 9.7048 11.8858 11.8858 12.0614 12.0614 12.5938 12.5938 16.9332 16.9332 k = 0.5000 0.4217 0.3261 ( 6372 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1665 -19.1665 -19.1467 -19.1467 -19.1172 -19.1172 -7.0147 -7.0147 -6.7464 -6.7464 -4.2269 -4.2269 0.4012 0.4012 1.8851 1.8851 2.6400 2.6400 3.7399 3.7399 6.1618 6.1618 7.2107 7.2107 9.7606 9.7606 11.9621 11.9621 12.0973 12.0973 12.5508 12.5508 16.8305 16.8305 k = 0.5000 0.4217 0.3377 ( 6384 PWs) bands (ev): -22.5873 -22.5873 -22.5576 -22.5576 -19.1665 -19.1665 -19.1468 -19.1468 -19.1172 -19.1172 -7.0138 -7.0138 -6.7406 -6.7406 -4.2192 -4.2192 0.3713 0.3713 1.8824 1.8824 2.6033 2.6033 3.7197 3.7197 6.1938 6.1938 7.2396 7.2396 9.8093 9.8093 12.0257 12.0257 12.1345 12.1345 12.5151 12.5151 16.7374 16.7374 k = 0.5000 0.4217 0.3493 ( 6380 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1468 -19.1468 -19.1171 -19.1171 -7.0130 -7.0130 -6.7357 -6.7357 -4.2126 -4.2126 0.3458 0.3458 1.8797 1.8797 2.5724 2.5724 3.7025 3.7025 6.2209 6.2209 7.2642 7.2642 9.8509 9.8509 12.0740 12.0740 12.1734 12.1734 12.4873 12.4873 16.6555 16.6555 k = 0.5000 0.4217 0.3610 ( 6388 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1469 -19.1469 -19.1171 -19.1171 -7.0124 -7.0124 -6.7316 -6.7316 -4.2071 -4.2071 0.3247 0.3247 1.8772 1.8772 2.5473 2.5473 3.6884 3.6884 6.2430 6.2430 7.2845 7.2845 9.8851 9.8851 12.1074 12.1074 12.2113 12.2113 12.4678 12.4678 16.5861 16.5861 k = 0.5000 0.4217 0.3726 ( 6396 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1469 -19.1469 -19.1170 -19.1170 -7.0119 -7.0119 -6.7283 -6.7283 -4.2028 -4.2028 0.3083 0.3083 1.8751 1.8751 2.5279 2.5279 3.6774 3.6774 6.2603 6.2603 7.3004 7.3004 9.9119 9.9119 12.1294 12.1294 12.2431 12.2431 12.4564 12.4564 16.5305 16.5305 k = 0.5000 0.4217 0.3843 ( 6396 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1469 -19.1469 -19.1170 -19.1170 -7.0115 -7.0115 -6.7260 -6.7260 -4.1996 -4.1996 0.2965 0.2965 1.8735 1.8735 2.5142 2.5142 3.6695 3.6695 6.2726 6.2726 7.3117 7.3117 9.9311 9.9311 12.1430 12.1430 12.2657 12.2657 12.4516 12.4516 16.4900 16.4900 k = 0.5000 0.4217 0.3959 ( 6396 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0113 -7.0113 -6.7246 -6.7246 -4.1977 -4.1977 0.2894 0.2894 1.8725 1.8725 2.5060 2.5060 3.6648 3.6648 6.2801 6.2801 7.3186 7.3186 9.9427 9.9427 12.1504 12.1504 12.2786 12.2786 12.4506 12.4506 16.4653 16.4653 k = 0.5000 0.4217 0.4076 ( 6400 PWs) bands (ev): -22.5873 -22.5873 -22.5575 -22.5575 -19.1665 -19.1665 -19.1470 -19.1470 -19.1170 -19.1170 -7.0112 -7.0112 -6.7241 -6.7241 -4.1971 -4.1971 0.2870 0.2870 1.8721 1.8721 2.5032 2.5032 3.6632 3.6632 6.2825 6.2825 7.3209 7.3209 9.9465 9.9465 12.1527 12.1527 12.2828 12.2828 12.4507 12.4507 16.4570 16.4570 Writing output data file PoCl2.save init_run : 0.48s CPU 0.64s WALL ( 1 calls) electrons : 376.89s CPU 379.34s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 376.88s CPU 379.32s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.15s CPU 0.15s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 472 calls) cegterg : 356.31s CPU 358.46s WALL ( 1048 calls) Called by sum_band: Called by *egterg: h_psi : 261.58s CPU 268.70s WALL ( 17325 calls) s_psi : 13.24s CPU 13.96s WALL ( 17325 calls) g_psi : 0.93s CPU 0.91s WALL ( 15805 calls) cdiaghg : 58.50s CPU 56.81s WALL ( 16277 calls) cegterg:over : 11.33s CPU 11.74s WALL ( 15805 calls) cegterg:upda : 5.55s CPU 6.90s WALL ( 15805 calls) cegterg:last : 3.51s CPU 4.36s WALL ( 2905 calls) Called by h_psi: h_psi:vloc : 248.93s CPU 250.55s WALL ( 17325 calls) h_psi:vnl : 12.54s CPU 17.75s WALL ( 17325 calls) add_vuspsi : 8.26s CPU 9.30s WALL ( 17325 calls) General routines calbec : 4.27s CPU 8.40s WALL ( 17325 calls) fft : 0.01s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 246.99s CPU 241.11s WALL ( 1270996 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.19s WALL ( 944 calls) Parallel routines fft_scatter : 227.77s CPU 146.80s WALL ( 1271019 calls) PWSCF : 6m45.11s CPU 6m58.99s WALL This run was terminated on: 15:13:51 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=