Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:40:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AgCNO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 30 8 2260 982 152 Max 53 31 9 2271 999 159 Sum 1907 1103 323 81601 35619 5661 bravais-lattice index = 14 lattice parameter (alat) = 10.7686 a.u. unit-cell volume = 817.9176 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.768611 celldm(2)= 1.000000 celldm(3)= 1.026761 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.770109 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.770109 0.637913 0.000000 ) a(3) = ( 0.000000 0.000000 1.026761 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.207232 -0.000000 ) b(2) = ( 0.000000 1.567613 -0.000000 ) b(3) = ( 0.000000 0.000000 0.973937 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 O 6.00 15.99940 O( 1.00) N 5.00 14.00670 N( 1.00) C 4.00 12.01070 C( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.5133804 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5133804 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 376 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0061406 0.0170393 -0.0000000), wk = 0.0026596 k( 3) = ( 0.0122812 0.0340785 -0.0000000), wk = 0.0026596 k( 4) = ( 0.0184219 0.0511178 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0245625 0.0681571 -0.0000000), wk = 0.0026596 k( 6) = ( 0.0307031 0.0851963 -0.0000000), wk = 0.0026596 k( 7) = ( 0.0368437 0.1022356 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0429843 0.1192749 -0.0000000), wk = 0.0026596 k( 9) = ( 0.0491250 0.1363141 -0.0000000), wk = 0.0026596 k( 10) = ( 0.0552656 0.1533534 -0.0000000), wk = 0.0026596 k( 11) = ( 0.0614062 0.1703927 -0.0000000), wk = 0.0026596 k( 12) = ( 0.0675468 0.1874319 -0.0000000), wk = 0.0026596 k( 13) = ( 0.0736874 0.2044712 -0.0000000), wk = 0.0026596 k( 14) = ( 0.0798281 0.2215105 -0.0000000), wk = 0.0026596 k( 15) = ( 0.0859687 0.2385497 -0.0000000), wk = 0.0026596 k( 16) = ( 0.0921093 0.2555890 -0.0000000), wk = 0.0026596 k( 17) = ( 0.0982499 0.2726283 -0.0000000), wk = 0.0026596 k( 18) = ( 0.1043905 0.2896675 -0.0000000), wk = 0.0026596 k( 19) = ( 0.1105312 0.3067068 -0.0000000), wk = 0.0026596 k( 20) = ( 0.1166718 0.3237461 -0.0000000), wk = 0.0026596 k( 21) = ( 0.1228124 0.3407853 -0.0000000), wk = 0.0026596 k( 22) = ( 0.1289530 0.3578246 -0.0000000), wk = 0.0026596 k( 23) = ( 0.1350937 0.3748639 -0.0000000), wk = 0.0026596 k( 24) = ( 0.1412343 0.3919032 -0.0000000), wk = 0.0026596 k( 25) = ( 0.1473749 0.4089424 -0.0000000), wk = 0.0026596 k( 26) = ( 0.1535155 0.4259817 -0.0000000), wk = 0.0026596 k( 27) = ( 0.1596561 0.4430210 -0.0000000), wk = 0.0026596 k( 28) = ( 0.1657967 0.4600602 -0.0000000), wk = 0.0026596 k( 29) = ( 0.1719374 0.4770995 -0.0000000), wk = 0.0026596 k( 30) = ( 0.1780780 0.4941388 -0.0000000), wk = 0.0026596 k( 31) = ( 0.1842186 0.5111780 -0.0000000), wk = 0.0026596 k( 32) = ( 0.1903592 0.5282173 -0.0000000), wk = 0.0026596 k( 33) = ( 0.1964999 0.5452566 -0.0000000), wk = 0.0026596 k( 34) = ( 0.2026405 0.5622958 -0.0000000), wk = 0.0026596 k( 35) = ( 0.2087811 0.5793351 -0.0000000), wk = 0.0026596 k( 36) = ( 0.2149217 0.5963744 -0.0000000), wk = 0.0026596 k( 37) = ( 0.2210623 0.6134136 -0.0000000), wk = 0.0026596 k( 38) = ( 0.2272029 0.6304529 -0.0000000), wk = 0.0026596 k( 39) = ( 0.2333436 0.6474922 -0.0000000), wk = 0.0026596 k( 40) = ( 0.2394842 0.6645314 -0.0000000), wk = 0.0026596 k( 41) = ( 0.2456248 0.6815707 -0.0000000), wk = 0.0026596 k( 42) = ( 0.2517654 0.6986100 -0.0000000), wk = 0.0026596 k( 43) = ( 0.2579060 0.7156492 -0.0000000), wk = 0.0026596 k( 44) = ( 0.2640467 0.7326885 -0.0000000), wk = 0.0026596 k( 45) = ( 0.2701873 0.7497278 -0.0000000), wk = 0.0026596 k( 46) = ( 0.2763279 0.7667670 -0.0000000), wk = 0.0026596 k( 47) = ( 0.2824685 0.7838063 -0.0000000), wk = 0.0026596 k( 48) = ( 0.2824685 0.7838063 -0.0000000), wk = 0.0026596 k( 49) = ( 0.2648142 0.7838063 -0.0000000), wk = 0.0026596 k( 50) = ( 0.2471600 0.7838063 -0.0000000), wk = 0.0026596 k( 51) = ( 0.2295057 0.7838063 -0.0000000), wk = 0.0026596 k( 52) = ( 0.2118514 0.7838063 -0.0000000), wk = 0.0026596 k( 53) = ( 0.1941971 0.7838063 -0.0000000), wk = 0.0026596 k( 54) = ( 0.1765428 0.7838063 -0.0000000), wk = 0.0026596 k( 55) = ( 0.1588885 0.7838063 -0.0000000), wk = 0.0026596 k( 56) = ( 0.1412343 0.7838063 -0.0000000), wk = 0.0026596 k( 57) = ( 0.1235800 0.7838063 -0.0000000), wk = 0.0026596 k( 58) = ( 0.1059257 0.7838063 -0.0000000), wk = 0.0026596 k( 59) = ( 0.0882714 0.7838063 -0.0000000), wk = 0.0026596 k( 60) = ( 0.0706171 0.7838063 -0.0000000), wk = 0.0026596 k( 61) = ( 0.0529628 0.7838063 -0.0000000), wk = 0.0026596 k( 62) = ( 0.0353086 0.7838063 -0.0000000), wk = 0.0026596 k( 63) = ( 0.0176543 0.7838063 -0.0000000), wk = 0.0026596 k( 64) = ( 0.0000000 0.7838063 -0.0000000), wk = 0.0026596 k( 65) = ( 0.0000000 0.7838063 -0.0000000), wk = 0.0026596 k( 66) = ( 0.0000000 0.7838063 0.0180359), wk = 0.0026596 k( 67) = ( 0.0000000 0.7838063 0.0360717), wk = 0.0026596 k( 68) = ( 0.0000000 0.7838063 0.0541076), wk = 0.0026596 k( 69) = ( 0.0000000 0.7838063 0.0721435), wk = 0.0026596 k( 70) = ( 0.0000000 0.7838063 0.0901793), wk = 0.0026596 k( 71) = ( 0.0000000 0.7838063 0.1082152), wk = 0.0026596 k( 72) = ( 0.0000000 0.7838063 0.1262511), wk = 0.0026596 k( 73) = ( 0.0000000 0.7838063 0.1442869), wk = 0.0026596 k( 74) = ( 0.0000000 0.7838063 0.1623228), wk = 0.0026596 k( 75) = ( 0.0000000 0.7838063 0.1803587), wk = 0.0026596 k( 76) = ( 0.0000000 0.7838063 0.1983945), wk = 0.0026596 k( 77) = ( 0.0000000 0.7838063 0.2164304), wk = 0.0026596 k( 78) = ( 0.0000000 0.7838063 0.2344662), wk = 0.0026596 k( 79) = ( 0.0000000 0.7838063 0.2525021), wk = 0.0026596 k( 80) = ( 0.0000000 0.7838063 0.2705380), wk = 0.0026596 k( 81) = ( 0.0000000 0.7838063 0.2885738), wk = 0.0026596 k( 82) = ( 0.0000000 0.7838063 0.3066097), wk = 0.0026596 k( 83) = ( 0.0000000 0.7838063 0.3246456), wk = 0.0026596 k( 84) = ( 0.0000000 0.7838063 0.3426814), wk = 0.0026596 k( 85) = ( 0.0000000 0.7838063 0.3607173), wk = 0.0026596 k( 86) = ( 0.0000000 0.7838063 0.3787532), wk = 0.0026596 k( 87) = ( 0.0000000 0.7838063 0.3967890), wk = 0.0026596 k( 88) = ( 0.0000000 0.7838063 0.4148249), wk = 0.0026596 k( 89) = ( 0.0000000 0.7838063 0.4328608), wk = 0.0026596 k( 90) = ( 0.0000000 0.7838063 0.4508966), wk = 0.0026596 k( 91) = ( 0.0000000 0.7838063 0.4689325), wk = 0.0026596 k( 92) = ( 0.0000000 0.7838063 0.4869684), wk = 0.0026596 k( 93) = ( 0.0000000 0.7838063 0.4869684), wk = 0.0026596 k( 94) = ( 0.0176543 0.7838063 0.4869684), wk = 0.0026596 k( 95) = ( 0.0353086 0.7838063 0.4869684), wk = 0.0026596 k( 96) = ( 0.0529628 0.7838063 0.4869684), wk = 0.0026596 k( 97) = ( 0.0706171 0.7838063 0.4869684), wk = 0.0026596 k( 98) = ( 0.0882714 0.7838063 0.4869684), wk = 0.0026596 k( 99) = ( 0.1059257 0.7838063 0.4869684), wk = 0.0026596 k( 100) = ( 0.1235800 0.7838063 0.4869684), wk = 0.0026596 k( 101) = ( 0.1412343 0.7838063 0.4869684), wk = 0.0026596 k( 102) = ( 0.1588885 0.7838063 0.4869684), wk = 0.0026596 k( 103) = ( 0.1765428 0.7838063 0.4869684), wk = 0.0026596 k( 104) = ( 0.1941971 0.7838063 0.4869684), wk = 0.0026596 k( 105) = ( 0.2118514 0.7838063 0.4869684), wk = 0.0026596 k( 106) = ( 0.2295057 0.7838063 0.4869684), wk = 0.0026596 k( 107) = ( 0.2471600 0.7838063 0.4869684), wk = 0.0026596 k( 108) = ( 0.2648142 0.7838063 0.4869684), wk = 0.0026596 k( 109) = ( 0.2824685 0.7838063 0.4869684), wk = 0.0026596 k( 110) = ( 0.2824685 0.7838063 0.4869684), wk = 0.0026596 k( 111) = ( 0.2763279 0.7667670 0.4869684), wk = 0.0026596 k( 112) = ( 0.2701873 0.7497278 0.4869684), wk = 0.0026596 k( 113) = ( 0.2640467 0.7326885 0.4869684), wk = 0.0026596 k( 114) = ( 0.2579060 0.7156492 0.4869684), wk = 0.0026596 k( 115) = ( 0.2517654 0.6986100 0.4869684), wk = 0.0026596 k( 116) = ( 0.2456248 0.6815707 0.4869684), wk = 0.0026596 k( 117) = ( 0.2394842 0.6645314 0.4869684), wk = 0.0026596 k( 118) = ( 0.2333436 0.6474922 0.4869684), wk = 0.0026596 k( 119) = ( 0.2272029 0.6304529 0.4869684), wk = 0.0026596 k( 120) = ( 0.2210623 0.6134136 0.4869684), wk = 0.0026596 k( 121) = ( 0.2149217 0.5963744 0.4869684), wk = 0.0026596 k( 122) = ( 0.2087811 0.5793351 0.4869684), wk = 0.0026596 k( 123) = ( 0.2026405 0.5622958 0.4869684), wk = 0.0026596 k( 124) = ( 0.1964999 0.5452566 0.4869684), wk = 0.0026596 k( 125) = ( 0.1903592 0.5282173 0.4869684), wk = 0.0026596 k( 126) = ( 0.1842186 0.5111780 0.4869684), wk = 0.0026596 k( 127) = ( 0.1780780 0.4941388 0.4869684), wk = 0.0026596 k( 128) = ( 0.1719374 0.4770995 0.4869684), wk = 0.0026596 k( 129) = ( 0.1657967 0.4600602 0.4869684), wk = 0.0026596 k( 130) = ( 0.1596561 0.4430210 0.4869684), wk = 0.0026596 k( 131) = ( 0.1535155 0.4259817 0.4869684), wk = 0.0026596 k( 132) = ( 0.1473749 0.4089424 0.4869684), wk = 0.0026596 k( 133) = ( 0.1412343 0.3919032 0.4869684), wk = 0.0026596 k( 134) = ( 0.1350937 0.3748639 0.4869684), wk = 0.0026596 k( 135) = ( 0.1289530 0.3578246 0.4869684), wk = 0.0026596 k( 136) = ( 0.1228124 0.3407853 0.4869684), wk = 0.0026596 k( 137) = ( 0.1166718 0.3237461 0.4869684), wk = 0.0026596 k( 138) = ( 0.1105312 0.3067068 0.4869684), wk = 0.0026596 k( 139) = ( 0.1043905 0.2896675 0.4869684), wk = 0.0026596 k( 140) = ( 0.0982499 0.2726283 0.4869684), wk = 0.0026596 k( 141) = ( 0.0921093 0.2555890 0.4869684), wk = 0.0026596 k( 142) = ( 0.0859687 0.2385497 0.4869684), wk = 0.0026596 k( 143) = ( 0.0798281 0.2215105 0.4869684), wk = 0.0026596 k( 144) = ( 0.0736874 0.2044712 0.4869684), wk = 0.0026596 k( 145) = ( 0.0675468 0.1874319 0.4869684), wk = 0.0026596 k( 146) = ( 0.0614062 0.1703927 0.4869684), wk = 0.0026596 k( 147) = ( 0.0552656 0.1533534 0.4869684), wk = 0.0026596 k( 148) = ( 0.0491250 0.1363141 0.4869684), wk = 0.0026596 k( 149) = ( 0.0429843 0.1192749 0.4869684), wk = 0.0026596 k( 150) = ( 0.0368437 0.1022356 0.4869684), wk = 0.0026596 k( 151) = ( 0.0307031 0.0851963 0.4869684), wk = 0.0026596 k( 152) = ( 0.0245625 0.0681571 0.4869684), wk = 0.0026596 k( 153) = ( 0.0184219 0.0511178 0.4869684), wk = 0.0026596 k( 154) = ( 0.0122812 0.0340785 0.4869684), wk = 0.0026596 k( 155) = ( 0.0061406 0.0170393 0.4869684), wk = 0.0026596 k( 156) = ( 0.0000000 0.0000000 0.4869684), wk = 0.0026596 k( 157) = ( 0.0000000 0.0000000 0.4869684), wk = 0.0026596 k( 158) = ( 0.0000000 0.0000000 0.4689325), wk = 0.0026596 k( 159) = ( 0.0000000 0.0000000 0.4508966), wk = 0.0026596 k( 160) = ( 0.0000000 0.0000000 0.4328608), wk = 0.0026596 k( 161) = ( 0.0000000 0.0000000 0.4148249), wk = 0.0026596 k( 162) = ( 0.0000000 0.0000000 0.3967890), wk = 0.0026596 k( 163) = ( 0.0000000 0.0000000 0.3787532), wk = 0.0026596 k( 164) = ( 0.0000000 0.0000000 0.3607173), wk = 0.0026596 k( 165) = ( 0.0000000 0.0000000 0.3426814), wk = 0.0026596 k( 166) = ( 0.0000000 0.0000000 0.3246456), wk = 0.0026596 k( 167) = ( 0.0000000 0.0000000 0.3066097), wk = 0.0026596 k( 168) = ( 0.0000000 0.0000000 0.2885738), wk = 0.0026596 k( 169) = ( 0.0000000 0.0000000 0.2705380), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.2525021), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.2344662), wk = 0.0026596 k( 172) = ( 0.0000000 0.0000000 0.2164304), wk = 0.0026596 k( 173) = ( 0.0000000 0.0000000 0.1983945), wk = 0.0026596 k( 174) = ( 0.0000000 0.0000000 0.1803587), wk = 0.0026596 k( 175) = ( 0.0000000 0.0000000 0.1623228), wk = 0.0026596 k( 176) = ( 0.0000000 0.0000000 0.1442869), wk = 0.0026596 k( 177) = ( 0.0000000 0.0000000 0.1262511), wk = 0.0026596 k( 178) = ( 0.0000000 0.0000000 0.1082152), wk = 0.0026596 k( 179) = ( 0.0000000 0.0000000 0.0901793), wk = 0.0026596 k( 180) = ( 0.0000000 0.0000000 0.0721435), wk = 0.0026596 k( 181) = ( 0.0000000 0.0000000 0.0541076), wk = 0.0026596 k( 182) = ( 0.0000000 0.0000000 0.0360717), wk = 0.0026596 k( 183) = ( 0.0000000 0.0000000 0.0180359), wk = 0.0026596 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 186) = ( -0.0166667 0.0060063 -0.0000000), wk = 0.0026596 k( 187) = ( -0.0333333 0.0120127 -0.0000000), wk = 0.0026596 k( 188) = ( -0.0500000 0.0180190 -0.0000000), wk = 0.0026596 k( 189) = ( -0.0666667 0.0240254 -0.0000000), wk = 0.0026596 k( 190) = ( -0.0833333 0.0300317 -0.0000000), wk = 0.0026596 k( 191) = ( -0.1000000 0.0360381 -0.0000000), wk = 0.0026596 k( 192) = ( -0.1166667 0.0420444 -0.0000000), wk = 0.0026596 k( 193) = ( -0.1333333 0.0480507 -0.0000000), wk = 0.0026596 k( 194) = ( -0.1500000 0.0540571 -0.0000000), wk = 0.0026596 k( 195) = ( -0.1666667 0.0600634 -0.0000000), wk = 0.0026596 k( 196) = ( -0.1833333 0.0660698 -0.0000000), wk = 0.0026596 k( 197) = ( -0.2000000 0.0720761 -0.0000000), wk = 0.0026596 k( 198) = ( -0.2166667 0.0780824 -0.0000000), wk = 0.0026596 k( 199) = ( -0.2333333 0.0840888 -0.0000000), wk = 0.0026596 k( 200) = ( -0.2500000 0.0900951 -0.0000000), wk = 0.0026596 k( 201) = ( -0.2666667 0.0961015 -0.0000000), wk = 0.0026596 k( 202) = ( -0.2833333 0.1021078 -0.0000000), wk = 0.0026596 k( 203) = ( -0.3000000 0.1081142 -0.0000000), wk = 0.0026596 k( 204) = ( -0.3166667 0.1141205 -0.0000000), wk = 0.0026596 k( 205) = ( -0.3333333 0.1201268 -0.0000000), wk = 0.0026596 k( 206) = ( -0.3500000 0.1261332 -0.0000000), wk = 0.0026596 k( 207) = ( -0.3666667 0.1321395 -0.0000000), wk = 0.0026596 k( 208) = ( -0.3833333 0.1381459 -0.0000000), wk = 0.0026596 k( 209) = ( -0.4000000 0.1441522 -0.0000000), wk = 0.0026596 k( 210) = ( -0.4166667 0.1501586 -0.0000000), wk = 0.0026596 k( 211) = ( -0.4333333 0.1561649 -0.0000000), wk = 0.0026596 k( 212) = ( -0.4500000 0.1621712 -0.0000000), wk = 0.0026596 k( 213) = ( -0.4666667 0.1681776 -0.0000000), wk = 0.0026596 k( 214) = ( -0.4833333 0.1741839 -0.0000000), wk = 0.0026596 k( 215) = ( -0.5000000 0.1801903 -0.0000000), wk = 0.0026596 k( 216) = ( -0.5000000 0.1801903 -0.0000000), wk = 0.0026596 k( 217) = ( -0.4939575 0.1969574 -0.0000000), wk = 0.0026596 k( 218) = ( -0.4879149 0.2137245 -0.0000000), wk = 0.0026596 k( 219) = ( -0.4818724 0.2304916 -0.0000000), wk = 0.0026596 k( 220) = ( -0.4758298 0.2472587 -0.0000000), wk = 0.0026596 k( 221) = ( -0.4697873 0.2640258 -0.0000000), wk = 0.0026596 k( 222) = ( -0.4637448 0.2807929 -0.0000000), wk = 0.0026596 k( 223) = ( -0.4577022 0.2975601 -0.0000000), wk = 0.0026596 k( 224) = ( -0.4516597 0.3143272 -0.0000000), wk = 0.0026596 k( 225) = ( -0.4456171 0.3310943 -0.0000000), wk = 0.0026596 k( 226) = ( -0.4395746 0.3478614 -0.0000000), wk = 0.0026596 k( 227) = ( -0.4335321 0.3646285 -0.0000000), wk = 0.0026596 k( 228) = ( -0.4274895 0.3813956 -0.0000000), wk = 0.0026596 k( 229) = ( -0.4214470 0.3981627 -0.0000000), wk = 0.0026596 k( 230) = ( -0.4154044 0.4149298 -0.0000000), wk = 0.0026596 k( 231) = ( -0.4093619 0.4316969 -0.0000000), wk = 0.0026596 k( 232) = ( -0.4033194 0.4484641 -0.0000000), wk = 0.0026596 k( 233) = ( -0.3972768 0.4652312 -0.0000000), wk = 0.0026596 k( 234) = ( -0.3912343 0.4819983 -0.0000000), wk = 0.0026596 k( 235) = ( -0.3851917 0.4987654 -0.0000000), wk = 0.0026596 k( 236) = ( -0.3791492 0.5155325 -0.0000000), wk = 0.0026596 k( 237) = ( -0.3731066 0.5322996 -0.0000000), wk = 0.0026596 k( 238) = ( -0.3670641 0.5490667 -0.0000000), wk = 0.0026596 k( 239) = ( -0.3610216 0.5658339 -0.0000000), wk = 0.0026596 k( 240) = ( -0.3549790 0.5826010 -0.0000000), wk = 0.0026596 k( 241) = ( -0.3489365 0.5993681 -0.0000000), wk = 0.0026596 k( 242) = ( -0.3428939 0.6161352 -0.0000000), wk = 0.0026596 k( 243) = ( -0.3368514 0.6329023 -0.0000000), wk = 0.0026596 k( 244) = ( -0.3308089 0.6496694 -0.0000000), wk = 0.0026596 k( 245) = ( -0.3247663 0.6664365 -0.0000000), wk = 0.0026596 k( 246) = ( -0.3187238 0.6832036 -0.0000000), wk = 0.0026596 k( 247) = ( -0.3126812 0.6999708 -0.0000000), wk = 0.0026596 k( 248) = ( -0.3066387 0.7167379 -0.0000000), wk = 0.0026596 k( 249) = ( -0.3005962 0.7335050 -0.0000000), wk = 0.0026596 k( 250) = ( -0.2945536 0.7502721 -0.0000000), wk = 0.0026596 k( 251) = ( -0.2885111 0.7670392 -0.0000000), wk = 0.0026596 k( 252) = ( -0.2824685 0.7838063 -0.0000000), wk = 0.0026596 k( 253) = ( -0.2824685 0.7838063 -0.0000000), wk = 0.0026596 k( 254) = ( -0.2824685 0.7838063 0.0180359), wk = 0.0026596 k( 255) = ( -0.2824685 0.7838063 0.0360717), wk = 0.0026596 k( 256) = ( -0.2824685 0.7838063 0.0541076), wk = 0.0026596 k( 257) = ( -0.2824685 0.7838063 0.0721435), wk = 0.0026596 k( 258) = ( -0.2824685 0.7838063 0.0901793), wk = 0.0026596 k( 259) = ( -0.2824685 0.7838063 0.1082152), wk = 0.0026596 k( 260) = ( -0.2824685 0.7838063 0.1262511), wk = 0.0026596 k( 261) = ( -0.2824685 0.7838063 0.1442869), wk = 0.0026596 k( 262) = ( -0.2824685 0.7838063 0.1623228), wk = 0.0026596 k( 263) = ( -0.2824685 0.7838063 0.1803587), wk = 0.0026596 k( 264) = ( -0.2824685 0.7838063 0.1983945), wk = 0.0026596 k( 265) = ( -0.2824685 0.7838063 0.2164304), wk = 0.0026596 k( 266) = ( -0.2824685 0.7838063 0.2344662), wk = 0.0026596 k( 267) = ( -0.2824685 0.7838063 0.2525021), wk = 0.0026596 k( 268) = ( -0.2824685 0.7838063 0.2705380), wk = 0.0026596 k( 269) = ( -0.2824685 0.7838063 0.2885738), wk = 0.0026596 k( 270) = ( -0.2824685 0.7838063 0.3066097), wk = 0.0026596 k( 271) = ( -0.2824685 0.7838063 0.3246456), wk = 0.0026596 k( 272) = ( -0.2824685 0.7838063 0.3426814), wk = 0.0026596 k( 273) = ( -0.2824685 0.7838063 0.3607173), wk = 0.0026596 k( 274) = ( -0.2824685 0.7838063 0.3787532), wk = 0.0026596 k( 275) = ( -0.2824685 0.7838063 0.3967890), wk = 0.0026596 k( 276) = ( -0.2824685 0.7838063 0.4148249), wk = 0.0026596 k( 277) = ( -0.2824685 0.7838063 0.4328608), wk = 0.0026596 k( 278) = ( -0.2824685 0.7838063 0.4508966), wk = 0.0026596 k( 279) = ( -0.2824685 0.7838063 0.4689325), wk = 0.0026596 k( 280) = ( -0.2824685 0.7838063 0.4869684), wk = 0.0026596 k( 281) = ( -0.2824685 0.7838063 0.4869684), wk = 0.0026596 k( 282) = ( -0.2885111 0.7670392 0.4869684), wk = 0.0026596 k( 283) = ( -0.2945536 0.7502721 0.4869684), wk = 0.0026596 k( 284) = ( -0.3005962 0.7335050 0.4869684), wk = 0.0026596 k( 285) = ( -0.3066387 0.7167379 0.4869684), wk = 0.0026596 k( 286) = ( -0.3126812 0.6999708 0.4869684), wk = 0.0026596 k( 287) = ( -0.3187238 0.6832036 0.4869684), wk = 0.0026596 k( 288) = ( -0.3247663 0.6664365 0.4869684), wk = 0.0026596 k( 289) = ( -0.3308089 0.6496694 0.4869684), wk = 0.0026596 k( 290) = ( -0.3368514 0.6329023 0.4869684), wk = 0.0026596 k( 291) = ( -0.3428939 0.6161352 0.4869684), wk = 0.0026596 k( 292) = ( -0.3489365 0.5993681 0.4869684), wk = 0.0026596 k( 293) = ( -0.3549790 0.5826010 0.4869684), wk = 0.0026596 k( 294) = ( -0.3610216 0.5658339 0.4869684), wk = 0.0026596 k( 295) = ( -0.3670641 0.5490667 0.4869684), wk = 0.0026596 k( 296) = ( -0.3731066 0.5322996 0.4869684), wk = 0.0026596 k( 297) = ( -0.3791492 0.5155325 0.4869684), wk = 0.0026596 k( 298) = ( -0.3851917 0.4987654 0.4869684), wk = 0.0026596 k( 299) = ( -0.3912343 0.4819983 0.4869684), wk = 0.0026596 k( 300) = ( -0.3972768 0.4652312 0.4869684), wk = 0.0026596 k( 301) = ( -0.4033194 0.4484641 0.4869684), wk = 0.0026596 k( 302) = ( -0.4093619 0.4316969 0.4869684), wk = 0.0026596 k( 303) = ( -0.4154044 0.4149298 0.4869684), wk = 0.0026596 k( 304) = ( -0.4214470 0.3981627 0.4869684), wk = 0.0026596 k( 305) = ( -0.4274895 0.3813956 0.4869684), wk = 0.0026596 k( 306) = ( -0.4335321 0.3646285 0.4869684), wk = 0.0026596 k( 307) = ( -0.4395746 0.3478614 0.4869684), wk = 0.0026596 k( 308) = ( -0.4456171 0.3310943 0.4869684), wk = 0.0026596 k( 309) = ( -0.4516597 0.3143272 0.4869684), wk = 0.0026596 k( 310) = ( -0.4577022 0.2975601 0.4869684), wk = 0.0026596 k( 311) = ( -0.4637448 0.2807929 0.4869684), wk = 0.0026596 k( 312) = ( -0.4697873 0.2640258 0.4869684), wk = 0.0026596 k( 313) = ( -0.4758298 0.2472587 0.4869684), wk = 0.0026596 k( 314) = ( -0.4818724 0.2304916 0.4869684), wk = 0.0026596 k( 315) = ( -0.4879149 0.2137245 0.4869684), wk = 0.0026596 k( 316) = ( -0.4939575 0.1969574 0.4869684), wk = 0.0026596 k( 317) = ( -0.5000000 0.1801903 0.4869684), wk = 0.0026596 k( 318) = ( -0.5000000 0.1801903 0.4869684), wk = 0.0026596 k( 319) = ( -0.5000000 0.1801903 0.4689325), wk = 0.0026596 k( 320) = ( -0.5000000 0.1801903 0.4508966), wk = 0.0026596 k( 321) = ( -0.5000000 0.1801903 0.4328608), wk = 0.0026596 k( 322) = ( -0.5000000 0.1801903 0.4148249), wk = 0.0026596 k( 323) = ( -0.5000000 0.1801903 0.3967890), wk = 0.0026596 k( 324) = ( -0.5000000 0.1801903 0.3787532), wk = 0.0026596 k( 325) = ( -0.5000000 0.1801903 0.3607173), wk = 0.0026596 k( 326) = ( -0.5000000 0.1801903 0.3426814), wk = 0.0026596 k( 327) = ( -0.5000000 0.1801903 0.3246456), wk = 0.0026596 k( 328) = ( -0.5000000 0.1801903 0.3066097), wk = 0.0026596 k( 329) = ( -0.5000000 0.1801903 0.2885738), wk = 0.0026596 k( 330) = ( -0.5000000 0.1801903 0.2705380), wk = 0.0026596 k( 331) = ( -0.5000000 0.1801903 0.2525021), wk = 0.0026596 k( 332) = ( -0.5000000 0.1801903 0.2344662), wk = 0.0026596 k( 333) = ( -0.5000000 0.1801903 0.2164304), wk = 0.0026596 k( 334) = ( -0.5000000 0.1801903 0.1983945), wk = 0.0026596 k( 335) = ( -0.5000000 0.1801903 0.1803587), wk = 0.0026596 k( 336) = ( -0.5000000 0.1801903 0.1623228), wk = 0.0026596 k( 337) = ( -0.5000000 0.1801903 0.1442869), wk = 0.0026596 k( 338) = ( -0.5000000 0.1801903 0.1262511), wk = 0.0026596 k( 339) = ( -0.5000000 0.1801903 0.1082152), wk = 0.0026596 k( 340) = ( -0.5000000 0.1801903 0.0901793), wk = 0.0026596 k( 341) = ( -0.5000000 0.1801903 0.0721435), wk = 0.0026596 k( 342) = ( -0.5000000 0.1801903 0.0541076), wk = 0.0026596 k( 343) = ( -0.5000000 0.1801903 0.0360717), wk = 0.0026596 k( 344) = ( -0.5000000 0.1801903 0.0180359), wk = 0.0026596 k( 345) = ( -0.5000000 0.1801903 -0.0000000), wk = 0.0026596 k( 346) = ( 0.0000000 0.0000000 0.4869684), wk = 0.0026596 k( 347) = ( -0.0166667 0.0060063 0.4869684), wk = 0.0026596 k( 348) = ( -0.0333333 0.0120127 0.4869684), wk = 0.0026596 k( 349) = ( -0.0500000 0.0180190 0.4869684), wk = 0.0026596 k( 350) = ( -0.0666667 0.0240254 0.4869684), wk = 0.0026596 k( 351) = ( -0.0833333 0.0300317 0.4869684), wk = 0.0026596 k( 352) = ( -0.1000000 0.0360381 0.4869684), wk = 0.0026596 k( 353) = ( -0.1166667 0.0420444 0.4869684), wk = 0.0026596 k( 354) = ( -0.1333333 0.0480507 0.4869684), wk = 0.0026596 k( 355) = ( -0.1500000 0.0540571 0.4869684), wk = 0.0026596 k( 356) = ( -0.1666667 0.0600634 0.4869684), wk = 0.0026596 k( 357) = ( -0.1833333 0.0660698 0.4869684), wk = 0.0026596 k( 358) = ( -0.2000000 0.0720761 0.4869684), wk = 0.0026596 k( 359) = ( -0.2166667 0.0780824 0.4869684), wk = 0.0026596 k( 360) = ( -0.2333333 0.0840888 0.4869684), wk = 0.0026596 k( 361) = ( -0.2500000 0.0900951 0.4869684), wk = 0.0026596 k( 362) = ( -0.2666667 0.0961015 0.4869684), wk = 0.0026596 k( 363) = ( -0.2833333 0.1021078 0.4869684), wk = 0.0026596 k( 364) = ( -0.3000000 0.1081142 0.4869684), wk = 0.0026596 k( 365) = ( -0.3166667 0.1141205 0.4869684), wk = 0.0026596 k( 366) = ( -0.3333333 0.1201268 0.4869684), wk = 0.0026596 k( 367) = ( -0.3500000 0.1261332 0.4869684), wk = 0.0026596 k( 368) = ( -0.3666667 0.1321395 0.4869684), wk = 0.0026596 k( 369) = ( -0.3833333 0.1381459 0.4869684), wk = 0.0026596 k( 370) = ( -0.4000000 0.1441522 0.4869684), wk = 0.0026596 k( 371) = ( -0.4166667 0.1501586 0.4869684), wk = 0.0026596 k( 372) = ( -0.4333333 0.1561649 0.4869684), wk = 0.0026596 k( 373) = ( -0.4500000 0.1621712 0.4869684), wk = 0.0026596 k( 374) = ( -0.4666667 0.1681776 0.4869684), wk = 0.0026596 k( 375) = ( -0.4833333 0.1741839 0.4869684), wk = 0.0026596 k( 376) = ( -0.5000000 0.1801903 0.4869684), wk = 0.0026596 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 2) = ( 0.0061406 0.0061406 0.0000000), wk = 0.0026596 k( 3) = ( 0.0122812 0.0122812 0.0000000), wk = 0.0026596 k( 4) = ( 0.0184219 0.0184219 -0.0000000), wk = 0.0026596 k( 5) = ( 0.0245625 0.0245625 0.0000000), wk = 0.0026596 k( 6) = ( 0.0307031 0.0307031 0.0000000), wk = 0.0026596 k( 7) = ( 0.0368437 0.0368437 -0.0000000), wk = 0.0026596 k( 8) = ( 0.0429843 0.0429843 0.0000000), wk = 0.0026596 k( 9) = ( 0.0491250 0.0491250 0.0000000), wk = 0.0026596 k( 10) = ( 0.0552656 0.0552656 0.0000000), wk = 0.0026596 k( 11) = ( 0.0614062 0.0614062 0.0000000), wk = 0.0026596 k( 12) = ( 0.0675468 0.0675468 0.0000000), wk = 0.0026596 k( 13) = ( 0.0736874 0.0736874 -0.0000000), wk = 0.0026596 k( 14) = ( 0.0798281 0.0798281 0.0000000), wk = 0.0026596 k( 15) = ( 0.0859687 0.0859687 0.0000000), wk = 0.0026596 k( 16) = ( 0.0921093 0.0921093 0.0000000), wk = 0.0026596 k( 17) = ( 0.0982499 0.0982499 0.0000000), wk = 0.0026596 k( 18) = ( 0.1043905 0.1043905 0.0000000), wk = 0.0026596 k( 19) = ( 0.1105312 0.1105312 0.0000000), wk = 0.0026596 k( 20) = ( 0.1166718 0.1166718 0.0000000), wk = 0.0026596 k( 21) = ( 0.1228124 0.1228124 0.0000000), wk = 0.0026596 k( 22) = ( 0.1289530 0.1289530 0.0000000), wk = 0.0026596 k( 23) = ( 0.1350937 0.1350937 0.0000000), wk = 0.0026596 k( 24) = ( 0.1412343 0.1412343 0.0000000), wk = 0.0026596 k( 25) = ( 0.1473749 0.1473749 -0.0000000), wk = 0.0026596 k( 26) = ( 0.1535155 0.1535155 0.0000000), wk = 0.0026596 k( 27) = ( 0.1596561 0.1596561 0.0000000), wk = 0.0026596 k( 28) = ( 0.1657967 0.1657967 0.0000000), wk = 0.0026596 k( 29) = ( 0.1719374 0.1719374 0.0000000), wk = 0.0026596 k( 30) = ( 0.1780780 0.1780780 0.0000000), wk = 0.0026596 k( 31) = ( 0.1842186 0.1842186 0.0000000), wk = 0.0026596 k( 32) = ( 0.1903592 0.1903592 0.0000000), wk = 0.0026596 k( 33) = ( 0.1964999 0.1964999 0.0000000), wk = 0.0026596 k( 34) = ( 0.2026405 0.2026405 0.0000000), wk = 0.0026596 k( 35) = ( 0.2087811 0.2087811 0.0000000), wk = 0.0026596 k( 36) = ( 0.2149217 0.2149217 0.0000000), wk = 0.0026596 k( 37) = ( 0.2210623 0.2210623 0.0000000), wk = 0.0026596 k( 38) = ( 0.2272029 0.2272029 0.0000000), wk = 0.0026596 k( 39) = ( 0.2333436 0.2333436 0.0000000), wk = 0.0026596 k( 40) = ( 0.2394842 0.2394842 0.0000000), wk = 0.0026596 k( 41) = ( 0.2456248 0.2456248 0.0000000), wk = 0.0026596 k( 42) = ( 0.2517654 0.2517654 -0.0000000), wk = 0.0026596 k( 43) = ( 0.2579060 0.2579060 0.0000000), wk = 0.0026596 k( 44) = ( 0.2640467 0.2640467 0.0000000), wk = 0.0026596 k( 45) = ( 0.2701873 0.2701873 0.0000000), wk = 0.0026596 k( 46) = ( 0.2763279 0.2763279 0.0000000), wk = 0.0026596 k( 47) = ( 0.2824685 0.2824685 0.0000000), wk = 0.0026596 k( 48) = ( 0.2824685 0.2824685 0.0000000), wk = 0.0026596 k( 49) = ( 0.2648142 0.2960642 0.0000000), wk = 0.0026596 k( 50) = ( 0.2471600 0.3096600 0.0000000), wk = 0.0026596 k( 51) = ( 0.2295057 0.3232557 -0.0000000), wk = 0.0026596 k( 52) = ( 0.2118514 0.3368514 0.0000000), wk = 0.0026596 k( 53) = ( 0.1941971 0.3504471 0.0000000), wk = 0.0026596 k( 54) = ( 0.1765428 0.3640428 0.0000000), wk = 0.0026596 k( 55) = ( 0.1588885 0.3776385 0.0000000), wk = 0.0026596 k( 56) = ( 0.1412343 0.3912343 0.0000000), wk = 0.0026596 k( 57) = ( 0.1235800 0.4048300 0.0000000), wk = 0.0026596 k( 58) = ( 0.1059257 0.4184257 -0.0000000), wk = 0.0026596 k( 59) = ( 0.0882714 0.4320214 0.0000000), wk = 0.0026596 k( 60) = ( 0.0706171 0.4456171 -0.0000000), wk = 0.0026596 k( 61) = ( 0.0529628 0.4592129 -0.0000000), wk = 0.0026596 k( 62) = ( 0.0353086 0.4728086 -0.0000000), wk = 0.0026596 k( 63) = ( 0.0176543 0.4864043 -0.0000000), wk = 0.0026596 k( 64) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 65) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026596 k( 66) = ( 0.0000000 0.5000000 0.0185185), wk = 0.0026596 k( 67) = ( 0.0000000 0.5000000 0.0370370), wk = 0.0026596 k( 68) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0026596 k( 69) = ( 0.0000000 0.5000000 0.0740741), wk = 0.0026596 k( 70) = ( 0.0000000 0.5000000 0.0925926), wk = 0.0026596 k( 71) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0026596 k( 72) = ( 0.0000000 0.5000000 0.1296296), wk = 0.0026596 k( 73) = ( 0.0000000 0.5000000 0.1481481), wk = 0.0026596 k( 74) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026596 k( 75) = ( 0.0000000 0.5000000 0.1851852), wk = 0.0026596 k( 76) = ( 0.0000000 0.5000000 0.2037037), wk = 0.0026596 k( 77) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0026596 k( 78) = ( 0.0000000 0.5000000 0.2407407), wk = 0.0026596 k( 79) = ( 0.0000000 0.5000000 0.2592593), wk = 0.0026596 k( 80) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0026596 k( 81) = ( 0.0000000 0.5000000 0.2962963), wk = 0.0026596 k( 82) = ( 0.0000000 0.5000000 0.3148148), wk = 0.0026596 k( 83) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026596 k( 84) = ( 0.0000000 0.5000000 0.3518519), wk = 0.0026596 k( 85) = ( 0.0000000 0.5000000 0.3703704), wk = 0.0026596 k( 86) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0026596 k( 87) = ( 0.0000000 0.5000000 0.4074074), wk = 0.0026596 k( 88) = ( 0.0000000 0.5000000 0.4259259), wk = 0.0026596 k( 89) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0026596 k( 90) = ( 0.0000000 0.5000000 0.4629630), wk = 0.0026596 k( 91) = ( 0.0000000 0.5000000 0.4814815), wk = 0.0026596 k( 92) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026596 k( 93) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026596 k( 94) = ( 0.0176543 0.4864043 0.5000000), wk = 0.0026596 k( 95) = ( 0.0353086 0.4728086 0.5000000), wk = 0.0026596 k( 96) = ( 0.0529628 0.4592129 0.5000000), wk = 0.0026596 k( 97) = ( 0.0706171 0.4456171 0.5000000), wk = 0.0026596 k( 98) = ( 0.0882714 0.4320214 0.5000000), wk = 0.0026596 k( 99) = ( 0.1059257 0.4184257 0.5000000), wk = 0.0026596 k( 100) = ( 0.1235800 0.4048300 0.5000000), wk = 0.0026596 k( 101) = ( 0.1412343 0.3912343 0.5000000), wk = 0.0026596 k( 102) = ( 0.1588885 0.3776385 0.5000000), wk = 0.0026596 k( 103) = ( 0.1765428 0.3640428 0.5000000), wk = 0.0026596 k( 104) = ( 0.1941971 0.3504471 0.5000000), wk = 0.0026596 k( 105) = ( 0.2118514 0.3368514 0.5000000), wk = 0.0026596 k( 106) = ( 0.2295057 0.3232557 0.5000000), wk = 0.0026596 k( 107) = ( 0.2471600 0.3096600 0.5000000), wk = 0.0026596 k( 108) = ( 0.2648142 0.2960642 0.5000000), wk = 0.0026596 k( 109) = ( 0.2824685 0.2824685 0.5000000), wk = 0.0026596 k( 110) = ( 0.2824685 0.2824685 0.5000000), wk = 0.0026596 k( 111) = ( 0.2763279 0.2763279 0.5000000), wk = 0.0026596 k( 112) = ( 0.2701873 0.2701873 0.5000000), wk = 0.0026596 k( 113) = ( 0.2640467 0.2640467 0.5000000), wk = 0.0026596 k( 114) = ( 0.2579060 0.2579060 0.5000000), wk = 0.0026596 k( 115) = ( 0.2517654 0.2517654 0.5000000), wk = 0.0026596 k( 116) = ( 0.2456248 0.2456248 0.5000000), wk = 0.0026596 k( 117) = ( 0.2394842 0.2394842 0.5000000), wk = 0.0026596 k( 118) = ( 0.2333436 0.2333436 0.5000000), wk = 0.0026596 k( 119) = ( 0.2272029 0.2272029 0.5000000), wk = 0.0026596 k( 120) = ( 0.2210623 0.2210623 0.5000000), wk = 0.0026596 k( 121) = ( 0.2149217 0.2149217 0.5000000), wk = 0.0026596 k( 122) = ( 0.2087811 0.2087811 0.5000000), wk = 0.0026596 k( 123) = ( 0.2026405 0.2026405 0.5000000), wk = 0.0026596 k( 124) = ( 0.1964999 0.1964999 0.5000000), wk = 0.0026596 k( 125) = ( 0.1903592 0.1903592 0.5000000), wk = 0.0026596 k( 126) = ( 0.1842186 0.1842186 0.5000000), wk = 0.0026596 k( 127) = ( 0.1780780 0.1780780 0.5000000), wk = 0.0026596 k( 128) = ( 0.1719374 0.1719374 0.5000000), wk = 0.0026596 k( 129) = ( 0.1657967 0.1657967 0.5000000), wk = 0.0026596 k( 130) = ( 0.1596561 0.1596561 0.5000000), wk = 0.0026596 k( 131) = ( 0.1535155 0.1535155 0.5000000), wk = 0.0026596 k( 132) = ( 0.1473749 0.1473749 0.5000000), wk = 0.0026596 k( 133) = ( 0.1412343 0.1412343 0.5000000), wk = 0.0026596 k( 134) = ( 0.1350937 0.1350937 0.5000000), wk = 0.0026596 k( 135) = ( 0.1289530 0.1289530 0.5000000), wk = 0.0026596 k( 136) = ( 0.1228124 0.1228124 0.5000000), wk = 0.0026596 k( 137) = ( 0.1166718 0.1166718 0.5000000), wk = 0.0026596 k( 138) = ( 0.1105312 0.1105312 0.5000000), wk = 0.0026596 k( 139) = ( 0.1043905 0.1043905 0.5000000), wk = 0.0026596 k( 140) = ( 0.0982499 0.0982499 0.5000000), wk = 0.0026596 k( 141) = ( 0.0921093 0.0921093 0.5000000), wk = 0.0026596 k( 142) = ( 0.0859687 0.0859687 0.5000000), wk = 0.0026596 k( 143) = ( 0.0798281 0.0798281 0.5000000), wk = 0.0026596 k( 144) = ( 0.0736874 0.0736874 0.5000000), wk = 0.0026596 k( 145) = ( 0.0675468 0.0675468 0.5000000), wk = 0.0026596 k( 146) = ( 0.0614062 0.0614062 0.5000000), wk = 0.0026596 k( 147) = ( 0.0552656 0.0552656 0.5000000), wk = 0.0026596 k( 148) = ( 0.0491250 0.0491250 0.5000000), wk = 0.0026596 k( 149) = ( 0.0429843 0.0429843 0.5000000), wk = 0.0026596 k( 150) = ( 0.0368437 0.0368437 0.5000000), wk = 0.0026596 k( 151) = ( 0.0307031 0.0307031 0.5000000), wk = 0.0026596 k( 152) = ( 0.0245625 0.0245625 0.5000000), wk = 0.0026596 k( 153) = ( 0.0184219 0.0184219 0.5000000), wk = 0.0026596 k( 154) = ( 0.0122812 0.0122812 0.5000000), wk = 0.0026596 k( 155) = ( 0.0061406 0.0061406 0.5000000), wk = 0.0026596 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 158) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0026596 k( 159) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0026596 k( 160) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0026596 k( 161) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0026596 k( 162) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0026596 k( 163) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0026596 k( 164) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0026596 k( 165) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0026596 k( 166) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026596 k( 167) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0026596 k( 168) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0026596 k( 169) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0026596 k( 170) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0026596 k( 171) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0026596 k( 172) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0026596 k( 173) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0026596 k( 174) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0026596 k( 175) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026596 k( 176) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0026596 k( 177) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0026596 k( 178) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0026596 k( 179) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0026596 k( 180) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0026596 k( 181) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0026596 k( 182) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0026596 k( 183) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0026596 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 185) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026596 k( 186) = ( -0.0166667 0.0166667 -0.0000000), wk = 0.0026596 k( 187) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0026596 k( 188) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0026596 k( 189) = ( -0.0666667 0.0666667 -0.0000000), wk = 0.0026596 k( 190) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0026596 k( 191) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0026596 k( 192) = ( -0.1166667 0.1166667 -0.0000000), wk = 0.0026596 k( 193) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0026596 k( 194) = ( -0.1500000 0.1500000 -0.0000000), wk = 0.0026596 k( 195) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0026596 k( 196) = ( -0.1833333 0.1833333 -0.0000000), wk = 0.0026596 k( 197) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0026596 k( 198) = ( -0.2166667 0.2166667 -0.0000000), wk = 0.0026596 k( 199) = ( -0.2333333 0.2333333 -0.0000000), wk = 0.0026596 k( 200) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0026596 k( 201) = ( -0.2666667 0.2666667 -0.0000000), wk = 0.0026596 k( 202) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0026596 k( 203) = ( -0.3000000 0.3000000 -0.0000000), wk = 0.0026596 k( 204) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0026596 k( 205) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0026596 k( 206) = ( -0.3500000 0.3500000 -0.0000000), wk = 0.0026596 k( 207) = ( -0.3666667 0.3666667 -0.0000000), wk = 0.0026596 k( 208) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0026596 k( 209) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0026596 k( 210) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0026596 k( 211) = ( -0.4333333 0.4333333 -0.0000000), wk = 0.0026596 k( 212) = ( -0.4500000 0.4500000 -0.0000000), wk = 0.0026596 k( 213) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0026596 k( 214) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0026596 k( 215) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 216) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 217) = ( -0.4939575 0.5060425 -0.0000000), wk = 0.0026596 k( 218) = ( -0.4879149 0.5120851 -0.0000000), wk = 0.0026596 k( 219) = ( -0.4818724 0.5181276 -0.0000000), wk = 0.0026596 k( 220) = ( -0.4758298 0.5241702 -0.0000000), wk = 0.0026596 k( 221) = ( -0.4697873 0.5302127 -0.0000000), wk = 0.0026596 k( 222) = ( -0.4637448 0.5362552 -0.0000000), wk = 0.0026596 k( 223) = ( -0.4577022 0.5422978 -0.0000000), wk = 0.0026596 k( 224) = ( -0.4516597 0.5483403 -0.0000000), wk = 0.0026596 k( 225) = ( -0.4456171 0.5543829 -0.0000000), wk = 0.0026596 k( 226) = ( -0.4395746 0.5604254 -0.0000000), wk = 0.0026596 k( 227) = ( -0.4335321 0.5664680 -0.0000000), wk = 0.0026596 k( 228) = ( -0.4274895 0.5725105 -0.0000000), wk = 0.0026596 k( 229) = ( -0.4214470 0.5785530 -0.0000000), wk = 0.0026596 k( 230) = ( -0.4154044 0.5845956 -0.0000000), wk = 0.0026596 k( 231) = ( -0.4093619 0.5906381 -0.0000000), wk = 0.0026596 k( 232) = ( -0.4033194 0.5966806 -0.0000000), wk = 0.0026596 k( 233) = ( -0.3972768 0.6027232 -0.0000000), wk = 0.0026596 k( 234) = ( -0.3912343 0.6087657 -0.0000000), wk = 0.0026596 k( 235) = ( -0.3851917 0.6148083 -0.0000000), wk = 0.0026596 k( 236) = ( -0.3791492 0.6208508 -0.0000000), wk = 0.0026596 k( 237) = ( -0.3731066 0.6268934 -0.0000000), wk = 0.0026596 k( 238) = ( -0.3670641 0.6329359 0.0000000), wk = 0.0026596 k( 239) = ( -0.3610216 0.6389784 -0.0000000), wk = 0.0026596 k( 240) = ( -0.3549790 0.6450210 -0.0000000), wk = 0.0026596 k( 241) = ( -0.3489365 0.6510635 -0.0000000), wk = 0.0026596 k( 242) = ( -0.3428939 0.6571061 -0.0000000), wk = 0.0026596 k( 243) = ( -0.3368514 0.6631486 -0.0000000), wk = 0.0026596 k( 244) = ( -0.3308089 0.6691911 -0.0000000), wk = 0.0026596 k( 245) = ( -0.3247663 0.6752337 -0.0000000), wk = 0.0026596 k( 246) = ( -0.3187238 0.6812762 0.0000000), wk = 0.0026596 k( 247) = ( -0.3126812 0.6873188 -0.0000000), wk = 0.0026596 k( 248) = ( -0.3066387 0.6933613 -0.0000000), wk = 0.0026596 k( 249) = ( -0.3005962 0.6994039 -0.0000000), wk = 0.0026596 k( 250) = ( -0.2945536 0.7054464 -0.0000000), wk = 0.0026596 k( 251) = ( -0.2885111 0.7114889 0.0000000), wk = 0.0026596 k( 252) = ( -0.2824685 0.7175315 -0.0000000), wk = 0.0026596 k( 253) = ( -0.2824685 0.7175315 -0.0000000), wk = 0.0026596 k( 254) = ( -0.2824685 0.7175315 0.0185185), wk = 0.0026596 k( 255) = ( -0.2824685 0.7175315 0.0370370), wk = 0.0026596 k( 256) = ( -0.2824685 0.7175315 0.0555556), wk = 0.0026596 k( 257) = ( -0.2824685 0.7175315 0.0740741), wk = 0.0026596 k( 258) = ( -0.2824685 0.7175315 0.0925926), wk = 0.0026596 k( 259) = ( -0.2824685 0.7175315 0.1111111), wk = 0.0026596 k( 260) = ( -0.2824685 0.7175315 0.1296296), wk = 0.0026596 k( 261) = ( -0.2824685 0.7175315 0.1481481), wk = 0.0026596 k( 262) = ( -0.2824685 0.7175315 0.1666667), wk = 0.0026596 k( 263) = ( -0.2824685 0.7175315 0.1851852), wk = 0.0026596 k( 264) = ( -0.2824685 0.7175315 0.2037037), wk = 0.0026596 k( 265) = ( -0.2824685 0.7175315 0.2222222), wk = 0.0026596 k( 266) = ( -0.2824685 0.7175315 0.2407407), wk = 0.0026596 k( 267) = ( -0.2824685 0.7175315 0.2592593), wk = 0.0026596 k( 268) = ( -0.2824685 0.7175315 0.2777778), wk = 0.0026596 k( 269) = ( -0.2824685 0.7175315 0.2962963), wk = 0.0026596 k( 270) = ( -0.2824685 0.7175315 0.3148148), wk = 0.0026596 k( 271) = ( -0.2824685 0.7175315 0.3333333), wk = 0.0026596 k( 272) = ( -0.2824685 0.7175315 0.3518518), wk = 0.0026596 k( 273) = ( -0.2824685 0.7175315 0.3703704), wk = 0.0026596 k( 274) = ( -0.2824685 0.7175315 0.3888889), wk = 0.0026596 k( 275) = ( -0.2824685 0.7175315 0.4074074), wk = 0.0026596 k( 276) = ( -0.2824685 0.7175315 0.4259259), wk = 0.0026596 k( 277) = ( -0.2824685 0.7175315 0.4444444), wk = 0.0026596 k( 278) = ( -0.2824685 0.7175315 0.4629630), wk = 0.0026596 k( 279) = ( -0.2824685 0.7175315 0.4814815), wk = 0.0026596 k( 280) = ( -0.2824685 0.7175315 0.5000000), wk = 0.0026596 k( 281) = ( -0.2824685 0.7175315 0.5000000), wk = 0.0026596 k( 282) = ( -0.2885111 0.7114889 0.5000000), wk = 0.0026596 k( 283) = ( -0.2945536 0.7054464 0.5000000), wk = 0.0026596 k( 284) = ( -0.3005962 0.6994039 0.5000000), wk = 0.0026596 k( 285) = ( -0.3066387 0.6933613 0.5000000), wk = 0.0026596 k( 286) = ( -0.3126812 0.6873188 0.5000000), wk = 0.0026596 k( 287) = ( -0.3187238 0.6812762 0.5000000), wk = 0.0026596 k( 288) = ( -0.3247663 0.6752337 0.5000000), wk = 0.0026596 k( 289) = ( -0.3308089 0.6691911 0.5000000), wk = 0.0026596 k( 290) = ( -0.3368514 0.6631486 0.5000000), wk = 0.0026596 k( 291) = ( -0.3428939 0.6571061 0.5000000), wk = 0.0026596 k( 292) = ( -0.3489365 0.6510635 0.5000000), wk = 0.0026596 k( 293) = ( -0.3549790 0.6450210 0.5000000), wk = 0.0026596 k( 294) = ( -0.3610216 0.6389784 0.5000000), wk = 0.0026596 k( 295) = ( -0.3670641 0.6329359 0.5000000), wk = 0.0026596 k( 296) = ( -0.3731066 0.6268934 0.5000000), wk = 0.0026596 k( 297) = ( -0.3791492 0.6208508 0.5000000), wk = 0.0026596 k( 298) = ( -0.3851917 0.6148083 0.5000000), wk = 0.0026596 k( 299) = ( -0.3912343 0.6087657 0.5000000), wk = 0.0026596 k( 300) = ( -0.3972768 0.6027232 0.5000000), wk = 0.0026596 k( 301) = ( -0.4033194 0.5966806 0.5000000), wk = 0.0026596 k( 302) = ( -0.4093619 0.5906381 0.5000000), wk = 0.0026596 k( 303) = ( -0.4154044 0.5845956 0.5000000), wk = 0.0026596 k( 304) = ( -0.4214470 0.5785530 0.5000000), wk = 0.0026596 k( 305) = ( -0.4274895 0.5725105 0.5000000), wk = 0.0026596 k( 306) = ( -0.4335321 0.5664680 0.5000000), wk = 0.0026596 k( 307) = ( -0.4395746 0.5604254 0.5000000), wk = 0.0026596 k( 308) = ( -0.4456171 0.5543829 0.5000000), wk = 0.0026596 k( 309) = ( -0.4516597 0.5483403 0.5000000), wk = 0.0026596 k( 310) = ( -0.4577022 0.5422978 0.5000000), wk = 0.0026596 k( 311) = ( -0.4637448 0.5362552 0.5000000), wk = 0.0026596 k( 312) = ( -0.4697873 0.5302127 0.5000000), wk = 0.0026596 k( 313) = ( -0.4758298 0.5241702 0.5000000), wk = 0.0026596 k( 314) = ( -0.4818724 0.5181276 0.5000000), wk = 0.0026596 k( 315) = ( -0.4879149 0.5120851 0.5000000), wk = 0.0026596 k( 316) = ( -0.4939575 0.5060425 0.5000000), wk = 0.0026596 k( 317) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 318) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026596 k( 319) = ( -0.5000000 0.5000000 0.4814815), wk = 0.0026596 k( 320) = ( -0.5000000 0.5000000 0.4629630), wk = 0.0026596 k( 321) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0026596 k( 322) = ( -0.5000000 0.5000000 0.4259259), wk = 0.0026596 k( 323) = ( -0.5000000 0.5000000 0.4074074), wk = 0.0026596 k( 324) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0026596 k( 325) = ( -0.5000000 0.5000000 0.3703704), wk = 0.0026596 k( 326) = ( -0.5000000 0.5000000 0.3518519), wk = 0.0026596 k( 327) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0026596 k( 328) = ( -0.5000000 0.5000000 0.3148148), wk = 0.0026596 k( 329) = ( -0.5000000 0.5000000 0.2962963), wk = 0.0026596 k( 330) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0026596 k( 331) = ( -0.5000000 0.5000000 0.2592593), wk = 0.0026596 k( 332) = ( -0.5000000 0.5000000 0.2407407), wk = 0.0026596 k( 333) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0026596 k( 334) = ( -0.5000000 0.5000000 0.2037037), wk = 0.0026596 k( 335) = ( -0.5000000 0.5000000 0.1851852), wk = 0.0026596 k( 336) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0026596 k( 337) = ( -0.5000000 0.5000000 0.1481481), wk = 0.0026596 k( 338) = ( -0.5000000 0.5000000 0.1296296), wk = 0.0026596 k( 339) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0026596 k( 340) = ( -0.5000000 0.5000000 0.0925926), wk = 0.0026596 k( 341) = ( -0.5000000 0.5000000 0.0740741), wk = 0.0026596 k( 342) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0026596 k( 343) = ( -0.5000000 0.5000000 0.0370370), wk = 0.0026596 k( 344) = ( -0.5000000 0.5000000 0.0185185), wk = 0.0026596 k( 345) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0026596 k( 346) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026596 k( 347) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0026596 k( 348) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0026596 k( 349) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0026596 k( 350) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0026596 k( 351) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0026596 k( 352) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0026596 k( 353) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0026596 k( 354) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0026596 k( 355) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0026596 k( 356) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0026596 k( 357) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0026596 k( 358) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0026596 k( 359) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0026596 k( 360) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0026596 k( 361) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0026596 k( 362) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0026596 k( 363) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0026596 k( 364) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0026596 k( 365) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0026596 k( 366) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0026596 k( 367) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0026596 k( 368) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0026596 k( 369) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0026596 k( 370) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0026596 k( 371) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0026596 k( 372) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0026596 k( 373) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0026596 k( 374) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0026596 k( 375) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0026596 k( 376) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0026596 Dense grid: 81601 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 35619 G-vectors FFT dimensions: ( 48, 48, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 264, 62) NL pseudopotentials 0.31 Mb ( 132, 152) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.02 Mb ( 2271) G-vector shells 0.01 Mb ( 1142) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.00 Mb ( 264, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.29 Mb ( 152, 2, 62) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./AgCNO.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.5 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 6.9 secs Computing kpt #: 8 total cpu time spent up to now is 7.5 secs Computing kpt #: 9 total cpu time spent up to now is 8.1 secs Computing kpt #: 10 total cpu time spent up to now is 8.7 secs Computing kpt #: 11 total cpu time spent up to now is 9.3 secs Computing kpt #: 12 total cpu time spent up to now is 10.0 secs Computing kpt #: 13 total cpu time spent up to now is 10.6 secs Computing kpt #: 14 total cpu time spent up to now is 11.2 secs Computing kpt #: 15 total cpu time spent up to now is 11.9 secs Computing kpt #: 16 total cpu time spent up to now is 12.5 secs Computing kpt #: 17 total cpu time spent up to now is 13.2 secs Computing kpt #: 18 total cpu time spent up to now is 13.8 secs Computing kpt #: 19 total cpu time spent up to now is 14.5 secs Computing kpt #: 20 total cpu time spent up to now is 15.1 secs Computing kpt #: 21 total cpu time spent up to now is 15.7 secs Computing kpt #: 22 total cpu time spent up to now is 16.4 secs Computing kpt #: 23 total cpu time spent up to now is 17.0 secs Computing kpt #: 24 total cpu time spent up to now is 17.6 secs Computing kpt #: 25 total cpu time spent up to now is 18.2 secs Computing kpt #: 26 total cpu time spent up to now is 18.9 secs Computing kpt #: 27 total cpu time spent up to now is 19.5 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.7 secs Computing kpt #: 30 total cpu time spent up to now is 21.3 secs Computing kpt #: 31 total cpu time spent up to now is 21.9 secs Computing kpt #: 32 total cpu time spent up to now is 22.5 secs Computing kpt #: 33 total cpu time spent up to now is 23.1 secs Computing kpt #: 34 total cpu time spent up to now is 23.7 secs Computing kpt #: 35 total cpu time spent up to now is 24.3 secs Computing kpt #: 36 total cpu time spent up to now is 24.9 secs Computing kpt #: 37 total cpu time spent up to now is 25.5 secs Computing kpt #: 38 total cpu time spent up to now is 26.1 secs Computing kpt #: 39 total cpu time spent up to now is 26.7 secs Computing kpt #: 40 total cpu time spent up to now is 27.3 secs Computing kpt #: 41 total cpu time spent up to now is 27.9 secs Computing kpt #: 42 total cpu time spent up to now is 28.5 secs Computing kpt #: 43 total cpu time spent up to now is 29.2 secs Computing kpt #: 44 total cpu time spent up to now is 29.8 secs Computing kpt #: 45 total cpu time spent up to now is 30.4 secs Computing kpt #: 46 total cpu time spent up to now is 31.1 secs Computing kpt #: 47 total cpu time spent up to now is 31.7 secs Computing kpt #: 48 total cpu time spent up to now is 32.3 secs Computing kpt #: 49 total cpu time spent up to now is 33.0 secs Computing kpt #: 50 total cpu time spent up to now is 33.6 secs Computing kpt #: 51 total cpu time spent up to now is 34.3 secs Computing kpt #: 52 total cpu time spent up to now is 34.9 secs Computing kpt #: 53 total cpu time spent up to now is 35.6 secs Computing kpt #: 54 total cpu time spent up to now is 36.2 secs Computing kpt #: 55 total cpu time spent up to now is 36.9 secs Computing kpt #: 56 total cpu time spent up to now is 37.6 secs Computing kpt #: 57 total cpu time spent up to now is 38.4 secs Computing kpt #: 58 total cpu time spent up to now is 39.1 secs Computing kpt #: 59 total cpu time spent up to now is 39.9 secs Computing kpt #: 60 total cpu time spent up to now is 40.6 secs Computing kpt #: 61 total cpu time spent up to now is 41.3 secs Computing kpt #: 62 total cpu time spent up to now is 42.1 secs Computing kpt #: 63 total cpu time spent up to now is 42.9 secs Computing kpt #: 64 total cpu time spent up to now is 43.7 secs Computing kpt #: 65 total cpu time spent up to now is 44.7 secs Computing kpt #: 66 total cpu time spent up to now is 45.5 secs Computing kpt #: 67 total cpu time spent up to now is 46.2 secs Computing kpt #: 68 total cpu time spent up to now is 47.0 secs Computing kpt #: 69 total cpu time spent up to now is 47.8 secs Computing kpt #: 70 total cpu time spent up to now is 48.6 secs Computing kpt #: 71 total cpu time spent up to now is 49.2 secs Computing kpt #: 72 total cpu time spent up to now is 49.9 secs Computing kpt #: 73 total cpu time spent up to now is 50.6 secs Computing kpt #: 74 total cpu time spent up to now is 51.2 secs Computing kpt #: 75 total cpu time spent up to now is 51.8 secs Computing kpt #: 76 total cpu time spent up to now is 52.5 secs Computing kpt #: 77 total cpu time spent up to now is 53.1 secs Computing kpt #: 78 total cpu time spent up to now is 53.7 secs Computing kpt #: 79 total cpu time spent up to now is 54.4 secs Computing kpt #: 80 total cpu time spent up to now is 55.0 secs Computing kpt #: 81 total cpu time spent up to now is 55.7 secs Computing kpt #: 82 total cpu time spent up to now is 56.3 secs Computing kpt #: 83 total cpu time spent up to now is 57.0 secs Computing kpt #: 84 total cpu time spent up to now is 57.6 secs Computing kpt #: 85 total cpu time spent up to now is 58.3 secs Computing kpt #: 86 total cpu time spent up to now is 59.0 secs Computing kpt #: 87 total cpu time spent up to now is 59.6 secs Computing kpt #: 88 total cpu time spent up to now is 60.3 secs Computing kpt #: 89 total cpu time spent up to now is 61.0 secs Computing kpt #: 90 total cpu time spent up to now is 61.8 secs Computing kpt #: 91 total cpu time spent up to now is 62.5 secs Computing kpt #: 92 total cpu time spent up to now is 63.1 secs Computing kpt #: 93 total cpu time spent up to now is 63.8 secs Computing kpt #: 94 total cpu time spent up to now is 64.6 secs Computing kpt #: 95 total cpu time spent up to now is 65.3 secs Computing kpt #: 96 total cpu time spent up to now is 66.2 secs Computing kpt #: 97 total cpu time spent up to now is 67.0 secs Computing kpt #: 98 total cpu time spent up to now is 67.8 secs Computing kpt #: 99 total cpu time spent up to now is 68.7 secs Computing kpt #: 100 total cpu time spent up to now is 69.5 secs Computing kpt #: 101 total cpu time spent up to now is 70.4 secs Computing kpt #: 102 total cpu time spent up to now is 72.3 secs Computing kpt #: 103 total cpu time spent up to now is 73.1 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 75.0 secs Computing kpt #: 105 total cpu time spent up to now is 76.0 secs Computing kpt #: 106 total cpu time spent up to now is 77.8 secs Computing kpt #: 107 total cpu time spent up to now is 78.8 secs Computing kpt #: 108 total cpu time spent up to now is 79.8 secs Computing kpt #: 109 total cpu time spent up to now is 80.8 secs Computing kpt #: 110 total cpu time spent up to now is 81.7 secs Computing kpt #: 111 total cpu time spent up to now is 82.7 secs Computing kpt #: 112 total cpu time spent up to now is 83.7 secs Computing kpt #: 113 total cpu time spent up to now is 84.7 secs Computing kpt #: 114 total cpu 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129 total cpu time spent up to now is 104.1 secs Computing kpt #: 130 total cpu time spent up to now is 105.4 secs Computing kpt #: 131 total cpu time spent up to now is 106.4 secs Computing kpt #: 132 total cpu time spent up to now is 107.5 secs Computing kpt #: 133 total cpu time spent up to now is 108.5 secs Computing kpt #: 134 total cpu time spent up to now is 109.5 secs Computing kpt #: 135 total cpu time spent up to now is 110.3 secs Computing kpt #: 136 total cpu time spent up to now is 111.2 secs Computing kpt #: 137 total cpu time spent up to now is 112.0 secs Computing kpt #: 138 total cpu time spent up to now is 112.9 secs Computing kpt #: 139 total cpu time spent up to now is 113.8 secs Computing kpt #: 140 total cpu time spent up to now is 114.6 secs Computing kpt #: 141 total cpu time spent up to now is 115.4 secs Computing kpt #: 142 total cpu time spent up to now is 116.2 secs Computing kpt #: 143 total cpu time spent up to now is 117.0 secs Computing kpt #: 144 total cpu time spent up to now is 117.9 secs Computing kpt #: 145 total cpu time spent up to now is 118.7 secs Computing kpt #: 146 total cpu time spent up to now is 119.5 secs Computing kpt #: 147 total cpu time spent up to now is 120.4 secs Computing kpt #: 148 total cpu time spent up to now is 121.2 secs Computing kpt #: 149 total cpu time spent up to now is 122.0 secs Computing kpt #: 150 total cpu time spent up to now is 122.8 secs Computing kpt #: 151 total cpu time spent up to now is 123.5 secs Computing kpt #: 152 total cpu time spent up to now is 124.3 secs Computing kpt #: 153 total cpu time spent up to now is 125.1 secs Computing kpt #: 154 total cpu time spent up to now is 125.9 secs Computing kpt #: 155 total cpu time spent up to now is 126.6 secs Computing kpt #: 156 total cpu time spent up to now is 127.2 secs Computing kpt #: 157 total cpu time spent up to now is 127.8 secs Computing kpt #: 158 total cpu time spent up to now is 128.5 secs Computing kpt #: 159 total cpu time spent up to now is 129.2 secs Computing kpt #: 160 total cpu time spent up to now is 129.8 secs Computing kpt #: 161 total cpu time spent up to now is 130.5 secs Computing kpt #: 162 total cpu time spent up to now is 131.1 secs Computing kpt #: 163 total cpu time spent up to now is 131.8 secs Computing kpt #: 164 total cpu time spent up to now is 132.4 secs Computing kpt #: 165 total cpu time spent up to now is 133.1 secs Computing kpt #: 166 total cpu time spent up to now is 133.7 secs Computing kpt #: 167 total cpu time spent up to now is 134.5 secs Computing kpt #: 168 total cpu time spent up to now is 135.2 secs Computing kpt #: 169 total cpu time spent up to now is 136.0 secs Computing kpt #: 170 total cpu time spent up to now is 136.7 secs Computing kpt #: 171 total cpu time spent up to now is 137.5 secs Computing kpt #: 172 total cpu time spent up to now is 138.2 secs Computing kpt #: 173 total cpu time spent up to now is 138.9 secs Computing kpt #: 174 total cpu time spent up to now is 139.6 secs Computing kpt #: 175 total cpu time spent up to now is 140.2 secs Computing kpt #: 176 total cpu time spent up to now is 140.9 secs Computing kpt #: 177 total cpu time spent up to now is 141.5 secs Computing kpt #: 178 total cpu time spent up to now is 142.1 secs Computing kpt #: 179 total cpu time spent up to now is 142.7 secs Computing kpt #: 180 total cpu time spent up to now is 143.3 secs Computing kpt #: 181 total cpu time spent up to now is 143.9 secs Computing kpt #: 182 total cpu time spent up to now is 144.5 secs Computing kpt #: 183 total cpu time spent up to now is 145.1 secs Computing kpt #: 184 total cpu time spent up to now is 145.7 secs Computing kpt #: 185 total cpu time spent up to now is 146.2 secs Computing kpt #: 186 total cpu time spent up to now is 146.8 secs Computing kpt #: 187 total cpu time spent up to now is 147.4 secs Computing kpt #: 188 total cpu time spent up to now is 148.0 secs Computing kpt #: 189 total cpu time spent up to now is 148.5 secs Computing kpt #: 190 total cpu time spent up to now is 149.1 secs Computing kpt #: 191 total cpu time spent up to now is 149.7 secs Computing kpt #: 192 total cpu time spent up to now is 150.3 secs Computing kpt #: 193 total cpu time spent up to now is 150.9 secs Computing kpt #: 194 total cpu time spent up to now is 151.5 secs Computing kpt #: 195 total cpu time spent up to now is 152.1 secs Computing kpt #: 196 total cpu time spent up to now is 152.6 secs Computing kpt #: 197 total cpu time spent up to now is 153.2 secs Computing kpt #: 198 total cpu time spent up to now is 153.8 secs Computing kpt #: 199 total cpu time spent up to now is 154.4 secs Computing kpt #: 200 total cpu time spent up to now is 154.9 secs Computing kpt #: 201 total cpu time spent up to now is 155.5 secs Computing kpt #: 202 total cpu time spent up to now is 156.0 secs Computing kpt #: 203 total cpu time spent up to now is 156.6 secs Computing kpt #: 204 total cpu time spent up to now is 157.2 secs Computing kpt #: 205 total cpu time spent up to now is 157.7 secs Computing kpt #: 206 total cpu time spent up to now is 158.3 secs Computing kpt #: 207 total cpu time spent up to now is 158.9 secs Computing kpt #: 208 total cpu time spent up to now is 159.5 secs Computing kpt #: 209 total cpu time spent up to now is 160.0 secs Computing kpt #: 210 total cpu time spent up to now is 160.6 secs Computing kpt #: 211 total cpu time spent up to now is 161.2 secs Computing kpt #: 212 total cpu time spent up to now is 161.7 secs Computing kpt #: 213 total cpu time spent up to now is 162.3 secs Computing kpt #: 214 total cpu time spent up to now is 162.9 secs Computing kpt #: 215 total cpu time spent up to now is 163.4 secs Computing kpt #: 216 total cpu time spent up to now is 164.0 secs Computing kpt #: 217 total cpu time spent up to now is 164.6 secs Computing kpt #: 218 total cpu time spent up to now is 165.2 secs Computing kpt #: 219 total cpu time spent up to now is 165.7 secs Computing kpt #: 220 total cpu time spent up to now is 166.3 secs Computing kpt #: 221 total cpu time spent up to now is 166.9 secs Computing kpt #: 222 total cpu time spent up to now is 167.4 secs Computing kpt #: 223 total cpu time spent up to now is 168.0 secs Computing kpt #: 224 total cpu time spent up to now is 168.6 secs Computing kpt #: 225 total cpu time spent up to now is 169.2 secs Computing kpt #: 226 total cpu time spent up to now is 169.7 secs Computing kpt #: 227 total cpu time spent up to now is 170.3 secs Computing kpt #: 228 total cpu time spent up to now is 170.9 secs Computing kpt #: 229 total cpu time spent up to now is 171.5 secs Computing kpt #: 230 total cpu time spent up to now is 172.1 secs Computing kpt #: 231 total cpu time spent up to now is 172.7 secs Computing kpt #: 232 total cpu time spent up to now is 173.3 secs Computing kpt #: 233 total cpu time spent up to now is 173.9 secs Computing kpt #: 234 total cpu time spent up to now is 174.5 secs Computing kpt #: 235 total cpu time spent up to now is 175.1 secs Computing kpt #: 236 total cpu time spent up to now is 175.7 secs Computing kpt #: 237 total cpu time spent up to now is 176.3 secs Computing kpt #: 238 total cpu time spent up to now is 177.0 secs Computing kpt #: 239 total cpu time spent up to now is 177.6 secs Computing kpt #: 240 total cpu time spent up to now is 178.2 secs Computing kpt #: 241 total cpu time spent up to now is 178.8 secs Computing kpt #: 242 total cpu time spent up to now is 179.5 secs Computing kpt #: 243 total cpu time spent up to now is 180.1 secs Computing kpt #: 244 total cpu time spent up to now is 180.7 secs Computing kpt #: 245 total cpu time spent up to now is 181.4 secs Computing kpt #: 246 total cpu time spent up to now is 182.0 secs Computing kpt #: 247 total cpu time spent up to now is 182.6 secs Computing kpt #: 248 total cpu time spent up to now is 183.3 secs Computing kpt #: 249 total cpu time spent up to now is 183.9 secs Computing kpt #: 250 total cpu time spent up to now is 184.5 secs Computing kpt #: 251 total cpu time spent up to now is 185.2 secs Computing kpt #: 252 total cpu time spent up to now is 185.8 secs Computing kpt #: 253 total cpu time spent up to now is 186.4 secs Computing kpt #: 254 total cpu time spent up to now is 187.1 secs Computing kpt #: 255 total cpu time spent up to now is 187.7 secs Computing kpt #: 256 total cpu time spent up to now is 188.4 secs Computing kpt #: 257 total cpu time spent up to now is 189.0 secs Computing kpt #: 258 total cpu time spent up to now is 189.6 secs Computing kpt #: 259 total cpu time spent up to now is 190.3 secs Computing kpt #: 260 total cpu time spent up to now is 191.1 secs Computing kpt #: 261 total cpu time spent up to now is 191.8 secs Computing kpt #: 262 total cpu time spent up to now is 192.6 secs Computing kpt #: 263 total cpu time spent up to now is 193.3 secs Computing kpt #: 264 total cpu time spent up to now is 194.1 secs Computing kpt #: 265 total cpu time spent up to now is 194.9 secs Computing kpt #: 266 total cpu time spent up to now is 195.7 secs Computing kpt #: 267 total cpu time spent up to now is 196.4 secs Computing kpt #: 268 total cpu time spent up to now is 197.2 secs Computing kpt #: 269 total cpu time spent up to now is 198.0 secs Computing kpt #: 270 total cpu time spent up to now is 198.9 secs Computing kpt #: 271 total cpu time spent up to now is 199.6 secs Computing kpt #: 272 total cpu time spent up to now is 200.4 secs Computing kpt #: 273 total cpu time spent up to now is 201.3 secs Computing kpt #: 274 total cpu time spent up to now is 202.1 secs Computing kpt #: 275 total cpu time spent up to now is 203.1 secs Computing kpt #: 276 total cpu time spent up to now is 203.9 secs Computing kpt #: 277 total cpu time spent up to now is 204.8 secs Computing kpt #: 278 total cpu time spent up to now is 205.8 secs Computing kpt #: 279 total cpu time spent up to now is 206.7 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 208.6 secs Computing kpt #: 281 total cpu time spent up to now is 209.5 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 211.4 secs Computing kpt #: 283 total cpu time spent up to now is 212.5 secs Computing kpt #: 284 total cpu time spent up to now is 213.2 secs Computing kpt #: 285 total cpu time spent up to now is 214.0 secs Computing kpt #: 286 total cpu time spent up to now is 215.1 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 288 total cpu time spent up to now is 218.0 secs Computing kpt #: 289 total cpu time spent up to now is 218.8 secs Computing kpt #: 290 total cpu time spent up to now is 220.2 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.2 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.1 secs Computing kpt #: 293 total cpu time spent up to now is 225.5 secs Computing kpt #: 294 total cpu time spent up to now is 227.0 secs Computing kpt #: 295 total cpu time spent up to now is 228.0 secs Computing kpt #: 296 total cpu time spent up to now is 228.8 secs Computing kpt #: 297 total cpu time spent up to now is 229.6 secs Computing kpt #: 298 total cpu time spent up to now is 230.6 secs Computing kpt #: 299 total cpu time spent up to now is 231.4 secs Computing kpt #: 300 total cpu time spent up to now is 232.2 secs Computing kpt #: 301 total cpu time spent up to now is 233.0 secs Computing kpt #: 302 total cpu time spent up to now is 233.8 secs Computing kpt #: 303 total cpu time spent up to now is 234.5 secs Computing kpt #: 304 total cpu time spent up to now is 235.2 secs Computing kpt #: 305 total cpu time spent up to now is 236.0 secs Computing kpt #: 306 total cpu time spent up to now is 236.9 secs Computing kpt #: 307 total cpu time spent up to now is 237.9 secs Computing kpt #: 308 total cpu time spent up to now is 238.7 secs Computing kpt #: 309 total cpu time spent up to now is 239.7 secs Computing kpt #: 310 total cpu time spent up to now is 240.6 secs Computing kpt #: 311 total cpu time spent up to now is 241.4 secs Computing kpt #: 312 total cpu time spent up to now is 242.2 secs Computing kpt #: 313 total cpu time spent up to now is 243.1 secs Computing kpt #: 314 total cpu time spent up to now is 244.0 secs Computing kpt #: 315 total cpu time spent up to now is 244.8 secs Computing kpt #: 316 total cpu time spent up to now is 245.5 secs Computing kpt #: 317 total cpu time spent up to now is 246.3 secs Computing kpt #: 318 total cpu time spent up to now is 246.9 secs Computing kpt #: 319 total cpu time spent up to now is 247.7 secs Computing kpt #: 320 total cpu time spent up to now is 248.4 secs Computing kpt #: 321 total cpu time spent up to now is 249.1 secs Computing kpt #: 322 total cpu time spent up to now is 249.8 secs Computing kpt #: 323 total cpu time spent up to now is 250.4 secs Computing kpt #: 324 total cpu time spent up to now is 251.1 secs Computing kpt #: 325 total cpu time spent up to now is 251.7 secs Computing kpt #: 326 total cpu time spent up to now is 252.3 secs Computing kpt #: 327 total cpu time spent up to now is 252.9 secs Computing kpt #: 328 total cpu time spent up to now is 253.6 secs Computing kpt #: 329 total cpu time spent up to now is 254.2 secs Computing kpt #: 330 total cpu time spent up to now is 254.8 secs Computing kpt #: 331 total cpu time spent up to now is 255.7 secs Computing kpt #: 332 total cpu time spent up to now is 256.5 secs Computing kpt #: 333 total cpu time spent up to now is 257.2 secs Computing kpt #: 334 total cpu time spent up to now is 257.9 secs Computing kpt #: 335 total cpu time spent up to now is 258.5 secs Computing kpt #: 336 total cpu time spent up to now is 259.1 secs Computing kpt #: 337 total cpu time spent up to now is 259.8 secs Computing kpt #: 338 total cpu time spent up to now is 260.4 secs Computing kpt #: 339 total cpu time spent up to now is 261.0 secs Computing kpt #: 340 total cpu time spent up to now is 261.5 secs Computing kpt #: 341 total cpu time spent up to now is 262.1 secs Computing kpt #: 342 total cpu time spent up to now is 262.7 secs Computing kpt #: 343 total cpu time spent up to now is 263.3 secs Computing kpt #: 344 total cpu time spent up to now is 263.8 secs Computing kpt #: 345 total cpu time spent up to now is 264.4 secs Computing kpt #: 346 total cpu time spent up to now is 265.0 secs Computing kpt #: 347 total cpu time spent up to now is 265.6 secs Computing kpt #: 348 total cpu time spent up to now is 266.2 secs Computing kpt #: 349 total cpu time spent up to now is 266.8 secs Computing kpt #: 350 total cpu time spent up to now is 267.4 secs Computing kpt #: 351 total cpu time spent up to now is 268.0 secs Computing kpt #: 352 total cpu time spent up to now is 268.7 secs Computing kpt #: 353 total cpu time spent up to now is 269.3 secs Computing kpt #: 354 total cpu time spent up to now is 269.9 secs Computing kpt #: 355 total cpu time spent up to now is 270.5 secs Computing kpt #: 356 total cpu time spent up to now is 271.1 secs Computing kpt #: 357 total cpu time spent up to now is 271.8 secs Computing kpt #: 358 total cpu time spent up to now is 272.4 secs Computing kpt #: 359 total cpu time spent up to now is 273.0 secs Computing kpt #: 360 total cpu time spent up to now is 273.7 secs Computing kpt #: 361 total cpu time spent up to now is 274.3 secs Computing kpt #: 362 total cpu time spent up to now is 274.9 secs Computing kpt #: 363 total cpu time spent up to now is 275.6 secs Computing kpt #: 364 total cpu time spent up to now is 276.2 secs Computing kpt #: 365 total cpu time spent up to now is 276.8 secs Computing kpt #: 366 total cpu time spent up to now is 277.5 secs Computing kpt #: 367 total cpu time spent up to now is 278.2 secs Computing kpt #: 368 total cpu time spent up to now is 278.8 secs Computing kpt #: 369 total cpu time spent up to now is 279.4 secs Computing kpt #: 370 total cpu time spent up to now is 280.2 secs Computing kpt #: 371 total cpu time spent up to now is 280.9 secs Computing kpt #: 372 total cpu time spent up to now is 281.6 secs Computing kpt #: 373 total cpu time spent up to now is 282.2 secs Computing kpt #: 374 total cpu time spent up to now is 282.9 secs Computing kpt #: 375 total cpu time spent up to now is 283.5 secs Computing kpt #: 376 total cpu time spent up to now is 284.2 secs ethr = 1.92E-08, avg # of iterations = 26.2 total cpu time spent up to now is 284.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4453 PWs) bands (ev): -19.2386 -19.2386 -19.1606 -19.1606 -13.9061 -13.9061 -13.8972 -13.8972 -4.7443 -4.7443 -4.2735 -4.2735 -3.3076 -3.3076 -2.6067 -2.6067 -2.4948 -2.4948 -2.2307 -2.2307 -2.1708 -2.1708 -0.3801 -0.3801 0.4330 0.4330 0.5851 0.5851 0.6817 0.6817 1.2356 1.2356 1.6149 1.6149 1.7736 1.7736 1.8807 1.8807 1.9588 1.9588 2.2004 2.2004 2.2062 2.2062 2.3524 2.3524 2.8494 2.8494 3.5215 3.5215 3.7848 3.7848 7.1317 7.1317 8.5179 8.5179 8.9751 8.9751 9.2925 9.2925 10.0911 10.0911 k = 0.0061 0.0170-0.0000 ( 4449 PWs) bands (ev): -19.2385 -19.2385 -19.1606 -19.1606 -13.9060 -13.9060 -13.8972 -13.8972 -4.7439 -4.7439 -4.2736 -4.2736 -3.3072 -3.3072 -2.6071 -2.6071 -2.4949 -2.4949 -2.2315 -2.2315 -2.1712 -2.1712 -0.3799 -0.3799 0.4331 0.4331 0.5852 0.5852 0.6818 0.6818 1.2357 1.2357 1.6139 1.6139 1.7731 1.7731 1.8803 1.8803 1.9599 1.9599 2.2015 2.2015 2.2066 2.2066 2.3509 2.3509 2.8519 2.8519 3.5201 3.5201 3.7843 3.7843 7.1323 7.1323 8.5175 8.5175 8.9768 8.9768 9.2926 9.2926 10.0902 10.0902 k = 0.0123 0.0341-0.0000 ( 4441 PWs) bands (ev): -19.2383 -19.2383 -19.1606 -19.1606 -13.9060 -13.9060 -13.8971 -13.8971 -4.7429 -4.7429 -4.2738 -4.2738 -3.3059 -3.3059 -2.6084 -2.6084 -2.4952 -2.4952 -2.2337 -2.2337 -2.1723 -2.1723 -0.3793 -0.3793 0.4331 0.4331 0.5854 0.5854 0.6822 0.6822 1.2360 1.2360 1.6111 1.6111 1.7714 1.7714 1.8792 1.8792 1.9630 1.9630 2.2037 2.2037 2.2084 2.2084 2.3465 2.3465 2.8593 2.8593 3.5158 3.5158 3.7828 3.7828 7.1339 7.1339 8.5162 8.5162 8.9820 8.9820 9.2929 9.2929 10.0877 10.0877 k = 0.0184 0.0511-0.0000 ( 4444 PWs) bands (ev): -19.2380 -19.2380 -19.1606 -19.1606 -13.9058 -13.9058 -13.8970 -13.8970 -4.7411 -4.7411 -4.2742 -4.2742 -3.3038 -3.3038 -2.6105 -2.6105 -2.4958 -2.4958 -2.2373 -2.2373 -2.1741 -2.1741 -0.3782 -0.3782 0.4331 0.4331 0.5856 0.5856 0.6829 0.6829 1.2364 1.2364 1.6064 1.6064 1.7687 1.7687 1.8779 1.8779 1.9675 1.9675 2.2054 2.2054 2.2134 2.2134 2.3396 2.3396 2.8712 2.8712 3.5089 3.5089 3.7803 3.7803 7.1367 7.1367 8.5139 8.5139 8.9906 8.9906 9.2935 9.2935 10.0835 10.0835 k = 0.0246 0.0682-0.0000 ( 4444 PWs) bands (ev): -19.2376 -19.2376 -19.1606 -19.1606 -13.9057 -13.9057 -13.8968 -13.8968 -4.7386 -4.7386 -4.2747 -4.2747 -3.3008 -3.3008 -2.6134 -2.6134 -2.4966 -2.4966 -2.2423 -2.2423 -2.1766 -2.1766 -0.3768 -0.3768 0.4331 0.4331 0.5860 0.5860 0.6839 0.6839 1.2371 1.2371 1.5999 1.5999 1.7652 1.7652 1.8766 1.8766 1.9725 1.9725 2.2065 2.2065 2.2213 2.2213 2.3309 2.3309 2.8873 2.8873 3.4992 3.4992 3.7769 3.7769 7.1406 7.1406 8.5107 8.5107 9.0024 9.0024 9.2944 9.2944 10.0778 10.0778 k = 0.0307 0.0852-0.0000 ( 4442 PWs) bands (ev): -19.2371 -19.2371 -19.1607 -19.1607 -13.9054 -13.9054 -13.8966 -13.8966 -4.7354 -4.7354 -4.2754 -4.2754 -3.2970 -3.2970 -2.6172 -2.6172 -2.4977 -2.4977 -2.2486 -2.2486 -2.1799 -2.1799 -0.3749 -0.3749 0.4330 0.4330 0.5865 0.5865 0.6851 0.6851 1.2379 1.2379 1.5916 1.5916 1.7614 1.7614 1.8758 1.8758 1.9776 1.9776 2.2076 2.2076 2.2311 2.2311 2.3214 2.3214 2.9069 2.9069 3.4868 3.4868 3.7724 3.7724 7.1457 7.1457 8.5063 8.5063 9.0172 9.0172 9.2956 9.2956 10.0710 10.0710 k = 0.0368 0.1022-0.0000 ( 4444 PWs) bands (ev): -19.2365 -19.2365 -19.1607 -19.1607 -13.9052 -13.9052 -13.8963 -13.8963 -4.7315 -4.7315 -4.2762 -4.2762 -3.2924 -3.2924 -2.6217 -2.6217 -2.4992 -2.4992 -2.2562 -2.2562 -2.1838 -2.1838 -0.3727 -0.3727 0.4329 0.4329 0.5871 0.5871 0.6865 0.6865 1.2388 1.2388 1.5818 1.5818 1.7574 1.7574 1.8755 1.8755 1.9822 1.9822 2.2088 2.2088 2.2413 2.2413 2.3130 2.3130 2.9296 2.9296 3.4719 3.4719 3.7670 3.7670 7.1518 7.1518 8.5006 8.5006 9.0348 9.0348 9.2971 9.2971 10.0633 10.0633 k = 0.0430 0.1193-0.0000 ( 4440 PWs) bands (ev): -19.2357 -19.2357 -19.1607 -19.1607 -13.9048 -13.9048 -13.8960 -13.8960 -4.7270 -4.7270 -4.2771 -4.2771 -3.2869 -3.2869 -2.6270 -2.6270 -2.5010 -2.5010 -2.2649 -2.2649 -2.1884 -2.1884 -0.3700 -0.3700 0.4327 0.4327 0.5878 0.5878 0.6882 0.6882 1.2399 1.2399 1.5707 1.5707 1.7533 1.7533 1.8758 1.8758 1.9861 1.9861 2.2101 2.2101 2.2489 2.2489 2.3090 2.3090 2.9550 2.9550 3.4545 3.4545 3.7607 3.7607 7.1592 7.1592 8.4935 8.4935 9.0549 9.0549 9.2991 9.2991 10.0550 10.0550 k = 0.0491 0.1363-0.0000 ( 4444 PWs) bands (ev): -19.2349 -19.2349 -19.1607 -19.1607 -13.9045 -13.9045 -13.8956 -13.8956 -4.7218 -4.7218 -4.2781 -4.2781 -3.2807 -3.2807 -2.6330 -2.6330 -2.5033 -2.5033 -2.2746 -2.2746 -2.1937 -2.1937 -0.3670 -0.3670 0.4324 0.4324 0.5886 0.5886 0.6901 0.6901 1.2410 1.2410 1.5583 1.5583 1.7493 1.7493 1.8764 1.8764 1.9892 1.9892 2.2114 2.2114 2.2499 2.2499 2.3136 2.3136 2.9825 2.9825 3.4348 3.4348 3.7533 3.7533 7.1677 7.1677 8.4848 8.4848 9.0770 9.0770 9.3015 9.3015 10.0465 10.0465 k = 0.0553 0.1534-0.0000 ( 4448 PWs) bands (ev): -19.2339 -19.2339 -19.1607 -19.1607 -13.9041 -13.9041 -13.8952 -13.8952 -4.7160 -4.7160 -4.2793 -4.2793 -3.2736 -3.2736 -2.6396 -2.6396 -2.5061 -2.5061 -2.2851 -2.2851 -2.1997 -2.1997 -0.3637 -0.3637 0.4319 0.4319 0.5895 0.5895 0.6922 0.6922 1.2423 1.2423 1.5451 1.5451 1.7455 1.7455 1.8776 1.8776 1.9915 1.9915 2.2122 2.2122 2.2448 2.2448 2.3273 2.3273 3.0118 3.0118 3.4129 3.4129 3.7451 3.7451 7.1775 7.1775 8.4743 8.4743 9.1007 9.1007 9.3047 9.3047 10.0382 10.0382 k = 0.0614 0.1704-0.0000 ( 4448 PWs) bands (ev): -19.2329 -19.2329 -19.1608 -19.1608 -13.9036 -13.9036 -13.8947 -13.8947 -4.7095 -4.7095 -4.2806 -4.2806 -3.2658 -3.2658 -2.6468 -2.6468 -2.5095 -2.5095 -2.2964 -2.2964 -2.2063 -2.2063 -0.3600 -0.3600 0.4312 0.4312 0.5906 0.5906 0.6945 0.6945 1.2437 1.2437 1.5311 1.5311 1.7417 1.7417 1.8789 1.8789 1.9932 1.9932 2.2117 2.2117 2.2379 2.2379 2.3463 2.3463 3.0427 3.0427 3.3890 3.3890 3.7358 3.7358 7.1884 7.1884 8.4617 8.4617 9.1251 9.1251 9.3087 9.3087 10.0306 10.0306 k = 0.0675 0.1874-0.0000 ( 4440 PWs) bands (ev): -19.2317 -19.2317 -19.1608 -19.1608 -13.9032 -13.9032 -13.8943 -13.8943 -4.7024 -4.7024 -4.2819 -4.2819 -3.2572 -3.2572 -2.6545 -2.6545 -2.5137 -2.5137 -2.3081 -2.3081 -2.2136 -2.2136 -0.3559 -0.3559 0.4304 0.4304 0.5918 0.5918 0.6970 0.6970 1.2450 1.2450 1.5168 1.5168 1.7380 1.7380 1.8806 1.8806 1.9944 1.9944 2.2081 2.2081 2.2334 2.2334 2.3686 2.3686 3.0747 3.0747 3.3633 3.3633 3.7257 3.7257 7.2006 7.2006 8.4468 8.4468 9.1495 9.1495 9.3141 9.3141 10.0240 10.0240 k = 0.0737 0.2045-0.0000 ( 4438 PWs) bands (ev): -19.2305 -19.2305 -19.1609 -19.1609 -13.9027 -13.9027 -13.8937 -13.8937 -4.6948 -4.6948 -4.2834 -4.2834 -3.2479 -3.2479 -2.6628 -2.6628 -2.5188 -2.5188 -2.3201 -2.3201 -2.2215 -2.2215 -0.3516 -0.3516 0.4292 0.4292 0.5931 0.5931 0.6996 0.6996 1.2464 1.2464 1.5021 1.5021 1.7343 1.7343 1.8823 1.8823 1.9951 1.9951 2.2010 2.2010 2.2326 2.2326 2.3928 2.3928 3.1076 3.1076 3.3360 3.3360 3.7146 3.7146 7.2141 7.2141 8.4296 8.4296 9.1729 9.1729 9.3212 9.3212 10.0188 10.0188 k = 0.0798 0.2215-0.0000 ( 4430 PWs) bands (ev): -19.2291 -19.2291 -19.1610 -19.1610 -13.9021 -13.9021 -13.8932 -13.8932 -4.6865 -4.6865 -4.2849 -4.2849 -3.2378 -3.2378 -2.6715 -2.6715 -2.5249 -2.5249 -2.3321 -2.3321 -2.2300 -2.2300 -0.3471 -0.3471 0.4278 0.4278 0.5945 0.5945 0.7022 0.7022 1.2477 1.2477 1.4874 1.4874 1.7305 1.7305 1.8840 1.8840 1.9957 1.9957 2.1924 2.1924 2.2344 2.2344 2.4185 2.4185 3.1410 3.1410 3.3076 3.3076 3.7026 3.7026 7.2288 7.2288 8.4098 8.4098 9.1941 9.1941 9.3307 9.3307 10.0155 10.0155 k = 0.0860 0.2385-0.0000 ( 4430 PWs) bands (ev): -19.2277 -19.2277 -19.1611 -19.1611 -13.9016 -13.9016 -13.8926 -13.8926 -4.6778 -4.6778 -4.2865 -4.2865 -3.2270 -3.2270 -2.6805 -2.6805 -2.5322 -2.5322 -2.3439 -2.3439 -2.2392 -2.2392 -0.3423 -0.3423 0.4261 0.4261 0.5960 0.5960 0.7050 0.7050 1.2490 1.2490 1.4725 1.4725 1.7266 1.7266 1.8858 1.8858 1.9962 1.9962 2.1837 2.1837 2.2375 2.2375 2.4451 2.4451 3.1738 3.1738 3.2790 3.2790 3.6898 3.6898 7.2449 7.2449 8.3873 8.3873 9.2120 9.2120 9.3428 9.3428 10.0143 10.0143 k = 0.0921 0.2556-0.0000 ( 4438 PWs) bands (ev): -19.2262 -19.2262 -19.1612 -19.1612 -13.9010 -13.9010 -13.8920 -13.8920 -4.6686 -4.6686 -4.2882 -4.2882 -3.2156 -3.2156 -2.6898 -2.6898 -2.5409 -2.5409 -2.3552 -2.3552 -2.2489 -2.2489 -0.3373 -0.3373 0.4240 0.4240 0.5976 0.5976 0.7078 0.7078 1.2500 1.2500 1.4580 1.4580 1.7226 1.7226 1.8874 1.8874 1.9968 1.9968 2.1755 2.1755 2.2413 2.2413 2.4724 2.4724 3.2004 3.2004 3.2560 3.2560 3.6761 3.6761 7.2623 7.2623 8.3620 8.3620 9.2261 9.2261 9.3575 9.3575 10.0156 10.0156 k = 0.0982 0.2726-0.0000 ( 4446 PWs) bands (ev): -19.2247 -19.2247 -19.1614 -19.1614 -13.9005 -13.9005 -13.8914 -13.8914 -4.6588 -4.6588 -4.2898 -4.2898 -3.2035 -3.2035 -2.6994 -2.6994 -2.5509 -2.5509 -2.3660 -2.3660 -2.2592 -2.2592 -0.3321 -0.3321 0.4217 0.4217 0.5992 0.5992 0.7107 0.7107 1.2510 1.2510 1.4437 1.4437 1.7183 1.7183 1.8889 1.8889 1.9976 1.9976 2.1682 2.1682 2.2457 2.2457 2.5004 2.5004 3.1960 3.1960 3.2633 3.2633 3.6616 3.6616 7.2811 7.2811 8.3340 8.3340 9.2364 9.2364 9.3740 9.3740 10.0195 10.0195 k = 0.1044 0.2897-0.0000 ( 4450 PWs) bands (ev): -19.2230 -19.2230 -19.1615 -19.1615 -13.8999 -13.8999 -13.8908 -13.8908 -4.6487 -4.6487 -4.2916 -4.2916 -3.1907 -3.1907 -2.7091 -2.7091 -2.5625 -2.5625 -2.3759 -2.3759 -2.2700 -2.2700 -0.3267 -0.3267 0.4190 0.4190 0.6009 0.6009 0.7135 0.7135 1.2519 1.2519 1.4297 1.4297 1.7140 1.7140 1.8903 1.8903 1.9987 1.9987 2.1619 2.1619 2.2506 2.2506 2.5287 2.5287 3.1677 3.1677 3.2940 3.2940 3.6463 3.6463 7.3013 7.3013 8.3032 8.3032 9.2437 9.2437 9.3909 9.3909 10.0263 10.0263 k = 0.1105 0.3067-0.0000 ( 4458 PWs) bands (ev): -19.2214 -19.2214 -19.1617 -19.1617 -13.8993 -13.8993 -13.8901 -13.8901 -4.6381 -4.6381 -4.2933 -4.2933 -3.1773 -3.1773 -2.7190 -2.7190 -2.5754 -2.5754 -2.3851 -2.3851 -2.2814 -2.2814 -0.3212 -0.3212 0.4160 0.4160 0.6026 0.6026 0.7163 0.7163 1.2525 1.2525 1.4161 1.4161 1.7094 1.7094 1.8916 1.8916 2.0001 2.0001 2.1564 2.1564 2.2560 2.2560 2.5573 2.5573 3.1346 3.1346 3.3291 3.3291 3.6303 3.6303 7.3230 7.3230 8.2698 8.2698 9.2486 9.2486 9.4068 9.4068 10.0359 10.0359 k = 0.1167 0.3237-0.0000 ( 4454 PWs) bands (ev): -19.2196 -19.2196 -19.1620 -19.1620 -13.8987 -13.8987 -13.8895 -13.8895 -4.6272 -4.6272 -4.2950 -4.2950 -3.1633 -3.1633 -2.7288 -2.7288 -2.5897 -2.5897 -2.3934 -2.3934 -2.2934 -2.2934 -0.3157 -0.3157 0.4128 0.4128 0.6043 0.6043 0.7190 0.7190 1.2530 1.2530 1.4031 1.4031 1.7050 1.7050 1.8929 1.8929 2.0019 2.0019 2.1520 2.1520 2.2617 2.2617 2.5859 2.5859 3.1000 3.1000 3.3652 3.3652 3.6139 3.6139 7.3461 7.3461 8.2339 8.2339 9.2516 9.2516 9.4205 9.4205 10.0486 10.0486 k = 0.1228 0.3408-0.0000 ( 4450 PWs) bands (ev): -19.2178 -19.2178 -19.1622 -19.1622 -13.8981 -13.8981 -13.8888 -13.8888 -4.6159 -4.6159 -4.2967 -4.2967 -3.1488 -3.1488 -2.7385 -2.7385 -2.6052 -2.6052 -2.4009 -2.4009 -2.3058 -2.3058 -0.3101 -0.3101 0.4092 0.4092 0.6061 0.6061 0.7217 0.7217 1.2533 1.2533 1.3905 1.3905 1.7006 1.7006 1.8941 1.8941 2.0040 2.0040 2.1485 2.1485 2.2678 2.2678 2.6146 2.6146 3.0648 3.0648 3.4014 3.4014 3.5971 3.5971 7.3706 7.3706 8.1958 8.1958 9.2534 9.2534 9.4314 9.4314 10.0642 10.0642 k = 0.1290 0.3578-0.0000 ( 4442 PWs) bands (ev): -19.2160 -19.2160 -19.1625 -19.1625 -13.8975 -13.8975 -13.8882 -13.8882 -4.6043 -4.6043 -4.2984 -4.2984 -3.1337 -3.1337 -2.7482 -2.7482 -2.6218 -2.6218 -2.4077 -2.4077 -2.3187 -2.3187 -0.3045 -0.3045 0.4055 0.4055 0.6078 0.6078 0.7243 0.7243 1.2533 1.2533 1.3786 1.3786 1.6963 1.6963 1.8953 1.8953 2.0064 2.0064 2.1459 2.1459 2.2742 2.2742 2.6431 2.6431 3.0292 3.0292 3.4369 3.4369 3.5806 3.5806 7.3967 7.3967 8.1556 8.1556 9.2540 9.2540 9.4389 9.4389 10.0826 10.0826 k = 0.1351 0.3749-0.0000 ( 4450 PWs) bands (ev): -19.2141 -19.2141 -19.1629 -19.1629 -13.8969 -13.8969 -13.8876 -13.8876 -4.5925 -4.5925 -4.3001 -4.3001 -3.1182 -3.1182 -2.7576 -2.7576 -2.6392 -2.6392 -2.4139 -2.4139 -2.3320 -2.3320 -0.2989 -0.2989 0.4014 0.4014 0.6095 0.6095 0.7266 0.7266 1.2531 1.2531 1.3672 1.3672 1.6922 1.6922 1.8965 1.8965 2.0089 2.0089 2.1440 2.1440 2.2808 2.2808 2.6714 2.6714 2.9935 2.9935 3.4699 3.4699 3.5662 3.5662 7.4242 7.4242 8.1136 8.1136 9.2537 9.2537 9.4429 9.4429 10.1038 10.1038 k = 0.1412 0.3919-0.0000 ( 4448 PWs) bands (ev): -19.2122 -19.2122 -19.1632 -19.1632 -13.8964 -13.8964 -13.8869 -13.8869 -4.5805 -4.5805 -4.3017 -4.3017 -3.1021 -3.1021 -2.7668 -2.7668 -2.6572 -2.6572 -2.4196 -2.4196 -2.3458 -2.3458 -0.2934 -0.2934 0.3973 0.3973 0.6111 0.6111 0.7289 0.7289 1.2526 1.2526 1.3565 1.3565 1.6884 1.6884 1.8977 1.8977 2.0115 2.0115 2.1428 2.1428 2.2876 2.2876 2.6994 2.6994 2.9582 2.9582 3.4936 3.4936 3.5604 3.5604 7.4532 7.4532 8.0702 8.0702 9.2527 9.2527 9.4435 9.4435 10.1274 10.1274 k = 0.1474 0.4089-0.0000 ( 4438 PWs) bands (ev): -19.2103 -19.2103 -19.1636 -19.1636 -13.8959 -13.8959 -13.8863 -13.8863 -4.5682 -4.5682 -4.3032 -4.3032 -3.0856 -3.0856 -2.7756 -2.7756 -2.6755 -2.6755 -2.4250 -2.4250 -2.3600 -2.3600 -0.2880 -0.2880 0.3931 0.3931 0.6127 0.6127 0.7310 0.7310 1.2519 1.2519 1.3465 1.3465 1.6849 1.6849 1.8990 1.8990 2.0142 2.0142 2.1422 2.1422 2.2946 2.2946 2.7269 2.7269 2.9234 2.9234 3.4955 3.4955 3.5758 3.5758 7.4837 7.4837 8.0257 8.0257 9.2510 9.2510 9.4410 9.4410 10.1534 10.1534 k = 0.1535 0.4260-0.0000 ( 4434 PWs) bands (ev): -19.2083 -19.2083 -19.1641 -19.1641 -13.8954 -13.8954 -13.8857 -13.8857 -4.5559 -4.5559 -4.3047 -4.3047 -3.0687 -3.0687 -2.7840 -2.7840 -2.6942 -2.6942 -2.4302 -2.4302 -2.3746 -2.3746 -0.2827 -0.2827 0.3889 0.3889 0.6143 0.6143 0.7330 0.7330 1.2509 1.2509 1.3372 1.3372 1.6818 1.6818 1.9002 1.9002 2.0167 2.0167 2.1421 2.1421 2.3016 2.3016 2.7536 2.7536 2.8896 2.8896 3.4821 3.4821 3.6059 3.6059 7.5158 7.5158 7.9805 7.9805 9.2486 9.2486 9.4359 9.4359 10.1815 10.1815 k = 0.1597 0.4430-0.0000 ( 4442 PWs) bands (ev): -19.2064 -19.2064 -19.1646 -19.1646 -13.8949 -13.8949 -13.8851 -13.8851 -4.5435 -4.5435 -4.3060 -4.3060 -3.0515 -3.0515 -2.7920 -2.7920 -2.7128 -2.7128 -2.4352 -2.4352 -2.3896 -2.3896 -0.2777 -0.2777 0.3847 0.3847 0.6157 0.6157 0.7346 0.7346 1.2497 1.2497 1.3285 1.3285 1.6789 1.6789 1.9014 1.9014 2.0191 2.0191 2.1423 2.1423 2.3086 2.3086 2.7786 2.7786 2.8577 2.8577 3.4636 3.4636 3.6403 3.6403 7.5492 7.5492 7.9348 7.9348 9.2456 9.2456 9.4286 9.4286 10.2112 10.2112 k = 0.1658 0.4601-0.0000 ( 4442 PWs) bands (ev): -19.2044 -19.2044 -19.1652 -19.1652 -13.8945 -13.8945 -13.8846 -13.8846 -4.5310 -4.5310 -4.3073 -4.3073 -3.0339 -3.0339 -2.7995 -2.7995 -2.7314 -2.7314 -2.4402 -2.4402 -2.4050 -2.4050 -0.2729 -0.2729 0.3805 0.3805 0.6171 0.6171 0.7362 0.7362 1.2483 1.2483 1.3207 1.3207 1.6765 1.6765 1.9026 1.9026 2.0213 2.0213 2.1428 2.1428 2.3156 2.3156 2.7967 2.7967 2.8334 2.8334 3.4434 3.4434 3.6759 3.6759 7.5841 7.5841 7.8891 7.8891 9.2420 9.2420 9.4195 9.4195 10.2424 10.2424 k = 0.1719 0.4771-0.0000 ( 4448 PWs) bands (ev): -19.2025 -19.2025 -19.1658 -19.1658 -13.8941 -13.8941 -13.8841 -13.8841 -4.5186 -4.5186 -4.3085 -4.3085 -3.0160 -3.0160 -2.8063 -2.8063 -2.7497 -2.7497 -2.4452 -2.4452 -2.4206 -2.4206 -0.2684 -0.2684 0.3766 0.3766 0.6184 0.6184 0.7375 0.7375 1.2468 1.2468 1.3136 1.3136 1.6743 1.6743 1.9037 1.9037 2.0231 2.0231 2.1433 2.1433 2.3224 2.3224 2.7841 2.7841 2.8405 2.8405 3.4222 3.4222 3.7116 3.7116 7.6203 7.6203 7.8438 7.8438 9.2378 9.2378 9.4092 9.4092 10.2746 10.2746 k = 0.1781 0.4941-0.0000 ( 4448 PWs) bands (ev): -19.2005 -19.2005 -19.1665 -19.1665 -13.8938 -13.8938 -13.8836 -13.8836 -4.5062 -4.5062 -4.3095 -4.3095 -2.9978 -2.9978 -2.8125 -2.8125 -2.7676 -2.7676 -2.4503 -2.4503 -2.4366 -2.4366 -0.2642 -0.2642 0.3728 0.3728 0.6198 0.6198 0.7385 0.7385 1.2451 1.2451 1.3073 1.3073 1.6724 1.6724 1.9048 1.9048 2.0246 2.0246 2.1439 2.1439 2.3291 2.3291 2.7576 2.7576 2.8624 2.8624 3.4007 3.4007 3.7471 3.7471 7.6574 7.6574 7.7996 7.7996 9.2330 9.2330 9.3980 9.3980 10.3073 10.3073 k = 0.1842 0.5112-0.0000 ( 4456 PWs) bands (ev): -19.1986 -19.1986 -19.1672 -19.1672 -13.8935 -13.8935 -13.8832 -13.8832 -4.4940 -4.4940 -4.3104 -4.3104 -2.9794 -2.9794 -2.8181 -2.8181 -2.7850 -2.7850 -2.4556 -2.4556 -2.4527 -2.4527 -0.2605 -0.2605 0.3693 0.3693 0.6211 0.6211 0.7394 0.7394 1.2433 1.2433 1.3018 1.3018 1.6706 1.6706 1.9057 1.9057 2.0255 2.0255 2.1441 2.1441 2.3355 2.3355 2.7311 2.7311 2.8855 2.8855 3.3789 3.3789 3.7820 3.7820 7.6936 7.6936 7.7585 7.7585 9.2276 9.2276 9.3864 9.3864 10.3400 10.3400 k = 0.1904 0.5282-0.0000 ( 4460 PWs) bands (ev): -19.1967 -19.1967 -19.1680 -19.1680 -13.8933 -13.8933 -13.8828 -13.8828 -4.4819 -4.4819 -4.3111 -4.3111 -2.9607 -2.9607 -2.8229 -2.8229 -2.8017 -2.8017 -2.4694 -2.4694 -2.4608 -2.4608 -0.2572 -0.2572 0.3662 0.3662 0.6224 0.6224 0.7400 0.7400 1.2414 1.2414 1.2971 1.2971 1.6690 1.6690 1.9064 1.9064 2.0259 2.0259 2.1441 2.1441 2.3417 2.3417 2.7061 2.7061 2.9082 2.9082 3.3572 3.3572 3.8162 3.8162 7.7019 7.7019 7.7480 7.7480 9.2217 9.2217 9.3745 9.3745 10.3722 10.3722 k = 0.1965 0.5453-0.0000 ( 4448 PWs) bands (ev): -19.1948 -19.1948 -19.1688 -19.1688 -13.8931 -13.8931 -13.8824 -13.8824 -4.4700 -4.4700 -4.3117 -4.3117 -2.9420 -2.9420 -2.8270 -2.8270 -2.8176 -2.8176 -2.4861 -2.4861 -2.4663 -2.4663 -0.2543 -0.2543 0.3636 0.3636 0.6238 0.6238 0.7405 0.7405 1.2397 1.2397 1.2932 1.2932 1.6673 1.6673 1.9070 1.9070 2.0256 2.0256 2.1435 2.1435 2.3477 2.3477 2.6834 2.6834 2.9303 2.9303 3.3356 3.3356 3.8495 3.8495 7.6665 7.6665 7.7841 7.7841 9.2153 9.2153 9.3627 9.3627 10.4030 10.4030 k = 0.2026 0.5623-0.0000 ( 4436 PWs) bands (ev): -19.1929 -19.1929 -19.1697 -19.1697 -13.8930 -13.8930 -13.8821 -13.8821 -4.4584 -4.4584 -4.3122 -4.3122 -2.9231 -2.9231 -2.8338 -2.8338 -2.8292 -2.8292 -2.5030 -2.5030 -2.4720 -2.4720 -0.2520 -0.2520 0.3613 0.3613 0.6252 0.6252 0.7407 0.7407 1.2380 1.2380 1.2901 1.2901 1.6656 1.6656 1.9074 1.9074 2.0246 2.0246 2.1422 2.1422 2.3534 2.3534 2.6632 2.6632 2.9516 2.9516 3.3145 3.3145 3.8818 3.8818 7.6285 7.6285 7.8259 7.8259 9.2084 9.2084 9.3512 9.3512 10.4317 10.4317 k = 0.2088 0.5793-0.0000 ( 4436 PWs) bands (ev): -19.1911 -19.1911 -19.1706 -19.1706 -13.8929 -13.8929 -13.8818 -13.8818 -4.4471 -4.4471 -4.3125 -4.3125 -2.9041 -2.9041 -2.8476 -2.8476 -2.8320 -2.8320 -2.5201 -2.5201 -2.4780 -2.4780 -0.2502 -0.2502 0.3596 0.3596 0.6267 0.6267 0.7407 0.7407 1.2364 1.2364 1.2877 1.2877 1.6636 1.6636 1.9074 1.9074 2.0226 2.0226 2.1403 2.1403 2.3587 2.3587 2.6457 2.6457 2.9718 2.9718 3.2938 3.2938 3.9127 3.9127 7.5921 7.5921 7.8694 7.8694 9.2010 9.2010 9.3400 9.3400 10.4573 10.4573 k = 0.2149 0.5964-0.0000 ( 4440 PWs) bands (ev): -19.1893 -19.1893 -19.1716 -19.1716 -13.8929 -13.8929 -13.8816 -13.8816 -4.4362 -4.4362 -4.3126 -4.3126 -2.8852 -2.8852 -2.8608 -2.8608 -2.8334 -2.8334 -2.5373 -2.5373 -2.4842 -2.4842 -0.2491 -0.2491 0.3584 0.3584 0.6282 0.6282 0.7405 0.7405 1.2351 1.2351 1.2860 1.2860 1.6613 1.6613 1.9071 1.9071 2.0197 2.0197 2.1376 2.1376 2.3635 2.3635 2.6312 2.6312 2.9910 2.9910 3.2738 3.2738 3.9422 3.9422 7.5583 7.5583 7.9139 7.9139 9.1931 9.1931 9.3293 9.3293 10.4788 10.4788 k = 0.2211 0.6134-0.0000 ( 4428 PWs) bands (ev): -19.1876 -19.1876 -19.1727 -19.1727 -13.8930 -13.8930 -13.8814 -13.8814 -4.4256 -4.4256 -4.3125 -4.3125 -2.8738 -2.8738 -2.8656 -2.8656 -2.8337 -2.8337 -2.5547 -2.5547 -2.4906 -2.4906 -0.2485 -0.2485 0.3578 0.3578 0.6299 0.6299 0.7402 0.7402 1.2340 1.2340 1.2849 1.2849 1.6586 1.6586 1.9064 1.9064 2.0159 2.0159 2.1345 2.1345 2.3676 2.3676 2.6199 2.6199 3.0091 3.0091 3.2546 3.2546 3.9700 3.9700 7.5273 7.5273 7.9593 7.9593 9.1848 9.1848 9.3193 9.3193 10.4952 10.4952 k = 0.2272 0.6305-0.0000 ( 4432 PWs) bands (ev): -19.1859 -19.1859 -19.1738 -19.1738 -13.8932 -13.8932 -13.8813 -13.8813 -4.4156 -4.4156 -4.3122 -4.3122 -2.8846 -2.8846 -2.8477 -2.8477 -2.8325 -2.8325 -2.5721 -2.5721 -2.4973 -2.4973 -0.2487 -0.2487 0.3578 0.3578 0.6316 0.6316 0.7398 0.7398 1.2333 1.2333 1.2846 1.2846 1.6553 1.6553 1.9052 1.9052 2.0110 2.0110 2.1306 2.1306 2.3706 2.3706 2.6119 2.6119 3.0261 3.0261 3.2365 3.2365 3.9960 3.9960 7.4995 7.4995 8.0053 8.0053 9.1761 9.1761 9.3099 9.3099 10.5056 10.5056 k = 0.2333 0.6475-0.0000 ( 4426 PWs) bands (ev): -19.1842 -19.1842 -19.1750 -19.1750 -13.8934 -13.8934 -13.8813 -13.8813 -4.4060 -4.4060 -4.3118 -4.3118 -2.8947 -2.8947 -2.8351 -2.8351 -2.8247 -2.8247 -2.5897 -2.5897 -2.5042 -2.5042 -0.2494 -0.2494 0.3585 0.3585 0.6334 0.6334 0.7392 0.7392 1.2330 1.2330 1.2848 1.2848 1.6515 1.6515 1.9033 1.9033 2.0054 2.0054 2.1265 2.1265 2.3722 2.3722 2.6077 2.6077 3.0418 3.0418 3.2195 3.2195 4.0199 4.0199 7.4753 7.4753 8.0518 8.0518 9.1669 9.1669 9.3011 9.3011 10.5094 10.5094 k = 0.2395 0.6645-0.0000 ( 4430 PWs) bands (ev): -19.1827 -19.1827 -19.1762 -19.1762 -13.8937 -13.8937 -13.8813 -13.8813 -4.3970 -4.3970 -4.3112 -4.3112 -2.9036 -2.9036 -2.8311 -2.8311 -2.8073 -2.8073 -2.6073 -2.6073 -2.5113 -2.5113 -0.2509 -0.2509 0.3599 0.3599 0.6351 0.6351 0.7386 0.7386 1.2330 1.2330 1.2857 1.2857 1.6469 1.6469 1.9007 1.9007 1.9992 1.9992 2.1221 2.1221 2.3718 2.3718 2.6072 2.6072 3.0563 3.0563 3.2038 3.2038 4.0415 4.0415 7.4550 7.4550 8.0985 8.0985 9.1574 9.1574 9.2930 9.2930 10.5062 10.5062 k = 0.2456 0.6816-0.0000 ( 4434 PWs) bands (ev): -19.1811 -19.1811 -19.1775 -19.1775 -13.8940 -13.8940 -13.8813 -13.8813 -4.3885 -4.3885 -4.3104 -4.3104 -2.9112 -2.9112 -2.8275 -2.8275 -2.7888 -2.7888 -2.6249 -2.6249 -2.5186 -2.5186 -0.2531 -0.2531 0.3619 0.3619 0.6367 0.6367 0.7381 0.7381 1.2335 1.2335 1.2871 1.2871 1.6416 1.6416 1.8974 1.8974 1.9927 1.9927 2.1177 2.1177 2.3691 2.3691 2.6108 2.6108 3.0695 3.0695 3.1894 3.1894 4.0606 4.0606 7.4388 7.4388 8.1453 8.1453 9.1476 9.1476 9.2855 9.2855 10.4962 10.4962 k = 0.2518 0.6986-0.0000 ( 4436 PWs) bands (ev): -19.1797 -19.1797 -19.1788 -19.1788 -13.8945 -13.8945 -13.8814 -13.8814 -4.3807 -4.3807 -4.3094 -4.3094 -2.9176 -2.9176 -2.8230 -2.8230 -2.7702 -2.7702 -2.6425 -2.6425 -2.5262 -2.5262 -0.2560 -0.2560 0.3645 0.3645 0.6382 0.6382 0.7377 0.7377 1.2344 1.2344 1.2890 1.2890 1.6355 1.6355 1.8931 1.8931 1.9863 1.9863 2.1133 2.1133 2.3637 2.3637 2.6183 2.6183 3.0814 3.0814 3.1766 3.1766 4.0771 4.0771 7.4269 7.4269 8.1918 8.1918 9.1373 9.1373 9.2785 9.2785 10.4799 10.4799 k = 0.2579 0.7156-0.0000 ( 4434 PWs) bands (ev): -19.1802 -19.1802 -19.1783 -19.1783 -13.8950 -13.8950 -13.8816 -13.8816 -4.3735 -4.3735 -4.3082 -4.3082 -2.9227 -2.9227 -2.8177 -2.8177 -2.7517 -2.7517 -2.6601 -2.6601 -2.5339 -2.5339 -0.2595 -0.2595 0.3678 0.3678 0.6394 0.6394 0.7376 0.7376 1.2357 1.2357 1.2915 1.2915 1.6287 1.6287 1.8880 1.8880 1.9802 1.9802 2.1089 2.1089 2.3556 2.3556 2.6296 2.6296 3.0919 3.0919 3.1653 3.1653 4.0908 4.0908 7.4195 7.4195 8.2380 8.2380 9.1267 9.1267 9.2720 9.2720 10.4582 10.4582 k = 0.2640 0.7327-0.0000 ( 4438 PWs) bands (ev): -19.1817 -19.1817 -19.1769 -19.1769 -13.8956 -13.8956 -13.8819 -13.8819 -4.3670 -4.3670 -4.3068 -4.3068 -2.9265 -2.9265 -2.8114 -2.8114 -2.7333 -2.7333 -2.6777 -2.6777 -2.5418 -2.5418 -0.2638 -0.2638 0.3718 0.3718 0.6402 0.6402 0.7378 0.7378 1.2375 1.2375 1.2945 1.2945 1.6211 1.6211 1.8821 1.8821 1.9747 1.9747 2.1047 2.1047 2.3449 2.3449 2.6444 2.6444 3.1008 3.1008 3.1556 3.1556 4.1015 4.1015 7.4169 7.4169 8.2835 8.2835 9.1158 9.1158 9.2657 9.2657 10.4318 10.4318 k = 0.2702 0.7497-0.0000 ( 4430 PWs) bands (ev): -19.1831 -19.1831 -19.1757 -19.1757 -13.8962 -13.8962 -13.8821 -13.8821 -4.3612 -4.3612 -4.3053 -4.3053 -2.9290 -2.9290 -2.8042 -2.8042 -2.7153 -2.7153 -2.6951 -2.6951 -2.5498 -2.5498 -0.2687 -0.2687 0.3763 0.3763 0.6404 0.6404 0.7386 0.7386 1.2396 1.2396 1.2980 1.2980 1.6128 1.6128 1.8755 1.8755 1.9699 1.9699 2.1005 2.1005 2.3318 2.3318 2.6622 2.6622 3.1082 3.1082 3.1476 3.1476 4.1092 4.1092 7.4191 7.4191 8.3282 8.3282 9.1046 9.1046 9.2596 9.2596 10.4016 10.4016 k = 0.2763 0.7668-0.0000 ( 4438 PWs) bands (ev): -19.1847 -19.1847 -19.1745 -19.1745 -13.8969 -13.8969 -13.8825 -13.8825 -4.3561 -4.3561 -4.3036 -4.3036 -2.9302 -2.9302 -2.7961 -2.7961 -2.7125 -2.7125 -2.6974 -2.6974 -2.5578 -2.5578 -0.2742 -0.2742 0.3813 0.3813 0.6400 0.6400 0.7400 0.7400 1.2420 1.2420 1.3018 1.3018 1.6041 1.6041 1.8684 1.8684 1.9657 1.9657 2.0966 2.0966 2.3166 2.3166 2.6828 2.6828 3.1137 3.1137 3.1414 3.1414 4.1137 4.1137 7.4262 7.4262 8.3718 8.3718 9.0931 9.0931 9.2532 9.2532 10.3686 10.3686 k = 0.2825 0.7838-0.0000 ( 4438 PWs) bands (ev): -19.1862 -19.1862 -19.1733 -19.1733 -13.8977 -13.8977 -13.8829 -13.8829 -4.3517 -4.3517 -4.3017 -4.3017 -2.9301 -2.9301 -2.7870 -2.7870 -2.7297 -2.7297 -2.6799 -2.6799 -2.5659 -2.5659 -0.2804 -0.2804 0.3868 0.3868 0.6387 0.6387 0.7421 0.7421 1.2446 1.2446 1.3060 1.3060 1.5951 1.5951 1.8611 1.8611 1.9621 1.9621 2.0928 2.0928 2.2997 2.2997 2.7056 2.7056 3.1170 3.1170 3.1374 3.1374 4.1149 4.1149 7.4382 7.4382 8.4141 8.4141 9.0812 9.0812 9.2465 9.2465 10.3333 10.3333 k = 0.2825 0.7838-0.0000 ( 4438 PWs) bands (ev): -19.1862 -19.1862 -19.1733 -19.1733 -13.8977 -13.8977 -13.8829 -13.8829 -4.3517 -4.3517 -4.3017 -4.3017 -2.9301 -2.9301 -2.7870 -2.7870 -2.7297 -2.7297 -2.6799 -2.6799 -2.5659 -2.5659 -0.2804 -0.2804 0.3868 0.3868 0.6387 0.6387 0.7421 0.7421 1.2446 1.2446 1.3060 1.3060 1.5951 1.5951 1.8611 1.8611 1.9621 1.9621 2.0928 2.0928 2.2997 2.2997 2.7056 2.7056 3.1170 3.1170 3.1374 3.1374 4.1149 4.1149 7.4382 7.4382 8.4141 8.4141 9.0812 9.0812 9.2465 9.2465 10.3333 10.3333 k = 0.2648 0.7838-0.0000 ( 4446 PWs) bands (ev): -19.1857 -19.1857 -19.1737 -19.1737 -13.8974 -13.8974 -13.8827 -13.8827 -4.3531 -4.3531 -4.3025 -4.3025 -2.9307 -2.9307 -2.7898 -2.7898 -2.7258 -2.7258 -2.6840 -2.6840 -2.5629 -2.5629 -0.2782 -0.2782 0.3836 0.3836 0.6388 0.6388 0.7409 0.7409 1.2453 1.2453 1.3074 1.3074 1.5987 1.5987 1.8635 1.8635 1.9632 1.9632 2.0942 2.0942 2.3050 2.3050 2.6954 2.6954 3.0735 3.0735 3.1800 3.1800 4.1159 4.1159 7.4337 7.4337 8.4007 8.4007 9.0829 9.0829 9.2497 9.2497 10.3449 10.3449 k = 0.2472 0.7838-0.0000 ( 4436 PWs) bands (ev): -19.1852 -19.1852 -19.1740 -19.1740 -13.8971 -13.8971 -13.8826 -13.8826 -4.3545 -4.3545 -4.3036 -4.3036 -2.9322 -2.9322 -2.7919 -2.7919 -2.7259 -2.7259 -2.6839 -2.6839 -2.5590 -2.5590 -0.2760 -0.2760 0.3778 0.3778 0.6381 0.6381 0.7392 0.7392 1.2492 1.2492 1.3144 1.3144 1.6037 1.6037 1.8659 1.8659 1.9645 1.9645 2.0959 2.0959 2.3095 2.3095 2.6806 2.6806 3.0201 3.0201 3.2303 3.2303 4.1186 4.1186 7.4298 7.4298 8.3881 8.3881 9.0799 9.0799 9.2548 9.2548 10.3559 10.3559 k = 0.2295 0.7838-0.0000 ( 4435 PWs) bands (ev): -19.1847 -19.1847 -19.1744 -19.1744 -13.8967 -13.8967 -13.8825 -13.8825 -4.3560 -4.3560 -4.3050 -4.3050 -2.9344 -2.9344 -2.7932 -2.7932 -2.7296 -2.7296 -2.6804 -2.6804 -2.5546 -2.5546 -0.2736 -0.2736 0.3696 0.3696 0.6364 0.6364 0.7370 0.7370 1.2561 1.2561 1.3267 1.3267 1.6102 1.6102 1.8683 1.8683 1.9660 1.9660 2.0978 2.0978 2.3132 2.3132 2.6614 2.6614 2.9650 2.9650 3.2796 3.2796 4.1229 4.1229 7.4264 7.4264 8.3766 8.3766 9.0725 9.0725 9.2617 9.2617 10.3662 10.3662 k = 0.2119 0.7838-0.0000 ( 4434 PWs) bands (ev): -19.1843 -19.1843 -19.1748 -19.1748 -13.8964 -13.8964 -13.8825 -13.8825 -4.3576 -4.3576 -4.3065 -4.3065 -2.9374 -2.9374 -2.7938 -2.7938 -2.7352 -2.7352 -2.6749 -2.6749 -2.5497 -2.5497 -0.2712 -0.2712 0.3594 0.3594 0.6335 0.6335 0.7348 0.7348 1.2657 1.2657 1.3438 1.3438 1.6183 1.6183 1.8706 1.8706 1.9677 1.9677 2.0997 2.0997 2.3161 2.3161 2.6382 2.6382 2.9090 2.9090 3.3272 3.3272 4.1289 4.1289 7.4234 7.4234 8.3665 8.3665 9.0608 9.0608 9.2704 9.2704 10.3761 10.3761 k = 0.1942 0.7838-0.0000 ( 4430 PWs) bands (ev): -19.1838 -19.1838 -19.1751 -19.1751 -13.8960 -13.8960 -13.8824 -13.8824 -4.3592 -4.3592 -4.3080 -4.3080 -2.9410 -2.9410 -2.7937 -2.7937 -2.7415 -2.7415 -2.6688 -2.6688 -2.5445 -2.5445 -0.2687 -0.2687 0.3478 0.3478 0.6290 0.6290 0.7331 0.7331 1.2774 1.2774 1.3649 1.3649 1.6284 1.6284 1.8730 1.8730 1.9697 1.9697 2.1017 2.1017 2.3182 2.3182 2.6112 2.6112 2.8523 2.8523 3.3727 3.3727 4.1362 4.1362 7.4207 7.4207 8.3578 8.3578 9.0453 9.0453 9.2808 9.2808 10.3857 10.3857 k = 0.1765 0.7838-0.0000 ( 4431 PWs) bands (ev): -19.1833 -19.1833 -19.1755 -19.1755 -13.8956 -13.8956 -13.8824 -13.8824 -4.3609 -4.3609 -4.3095 -4.3095 -2.9450 -2.9450 -2.7931 -2.7931 -2.7478 -2.7478 -2.6626 -2.6626 -2.5392 -2.5392 -0.2661 -0.2661 0.3352 0.3352 0.6230 0.6230 0.7320 0.7320 1.2907 1.2907 1.3891 1.3891 1.6407 1.6407 1.8755 1.8755 1.9721 1.9721 2.1035 2.1035 2.3197 2.3197 2.5812 2.5812 2.7954 2.7954 3.4158 3.4158 4.1446 4.1446 7.4183 7.4183 8.3506 8.3506 9.0268 9.0268 9.2926 9.2926 10.3952 10.3952 k = 0.1589 0.7838-0.0000 ( 4439 PWs) bands (ev): -19.1829 -19.1829 -19.1759 -19.1759 -13.8952 -13.8952 -13.8824 -13.8824 -4.3625 -4.3625 -4.3110 -4.3110 -2.9492 -2.9492 -2.7921 -2.7921 -2.7539 -2.7539 -2.6566 -2.6566 -2.5340 -2.5340 -0.2635 -0.2635 0.3222 0.3222 0.6158 0.6158 0.7318 0.7318 1.3049 1.3049 1.4152 1.4152 1.6556 1.6556 1.8783 1.8783 1.9751 1.9751 2.1052 2.1052 2.3202 2.3202 2.5487 2.5487 2.7388 2.7388 3.4559 3.4559 4.1537 4.1537 7.4161 7.4161 8.3450 8.3450 9.0061 9.0061 9.3054 9.3054 10.4049 10.4049 k = 0.1412 0.7838-0.0000 ( 4439 PWs) bands (ev): -19.1825 -19.1825 -19.1763 -19.1763 -13.8949 -13.8949 -13.8824 -13.8824 -4.3642 -4.3642 -4.3123 -4.3123 -2.9534 -2.9534 -2.7908 -2.7908 -2.7596 -2.7596 -2.6511 -2.6511 -2.5289 -2.5289 -0.2609 -0.2609 0.3092 0.3092 0.6077 0.6077 0.7322 0.7322 1.3194 1.3194 1.4423 1.4423 1.6732 1.6732 1.8814 1.8814 1.9788 1.9788 2.1067 2.1067 2.3197 2.3197 2.5145 2.5145 2.6830 2.6830 3.4929 3.4929 4.1631 4.1631 7.4141 7.4141 8.3409 8.3409 8.9841 8.9841 9.3188 9.3188 10.4151 10.4151 k = 0.1236 0.7838-0.0000 ( 4442 PWs) bands (ev): -19.1821 -19.1821 -19.1766 -19.1766 -13.8945 -13.8945 -13.8825 -13.8825 -4.3657 -4.3657 -4.3136 -4.3136 -2.9575 -2.9575 -2.7894 -2.7894 -2.7648 -2.7648 -2.6460 -2.6460 -2.5241 -2.5241 -0.2583 -0.2583 0.2966 0.2966 0.5994 0.5994 0.7330 0.7330 1.3333 1.3333 1.4693 1.4693 1.6935 1.6935 1.8851 1.8851 1.9836 1.9836 2.1078 2.1078 2.3178 2.3178 2.4796 2.4796 2.6290 2.6290 3.5264 3.5264 4.1724 4.1724 7.4123 7.4123 8.3382 8.3382 8.9616 8.9616 9.3322 9.3322 10.4262 10.4262 k = 0.1059 0.7838-0.0000 ( 4450 PWs) bands (ev): -19.1817 -19.1817 -19.1770 -19.1770 -13.8942 -13.8942 -13.8825 -13.8825 -4.3672 -4.3672 -4.3147 -4.3147 -2.9614 -2.9614 -2.7879 -2.7879 -2.7693 -2.7693 -2.6415 -2.6415 -2.5198 -2.5198 -0.2559 -0.2559 0.2850 0.2850 0.5911 0.5911 0.7341 0.7341 1.3461 1.3461 1.4952 1.4952 1.7158 1.7158 1.8896 1.8896 1.9896 1.9896 2.1084 2.1084 2.3140 2.3140 2.4451 2.4451 2.5778 2.5778 3.5560 3.5560 4.1813 4.1813 7.4108 7.4108 8.3367 8.3367 8.9397 8.9397 9.3452 9.3452 10.4383 10.4383 k = 0.0883 0.7838-0.0000 ( 4454 PWs) bands (ev): -19.1813 -19.1813 -19.1774 -19.1774 -13.8939 -13.8939 -13.8825 -13.8825 -4.3685 -4.3685 -4.3156 -4.3156 -2.9648 -2.9648 -2.7865 -2.7865 -2.7733 -2.7733 -2.6377 -2.6377 -2.5160 -2.5160 -0.2536 -0.2536 0.2745 0.2745 0.5835 0.5835 0.7352 0.7352 1.3574 1.3574 1.5191 1.5191 1.7389 1.7389 1.8950 1.8950 1.9974 1.9974 2.1084 2.1084 2.3074 2.3074 2.4122 2.4122 2.5310 2.5310 3.5816 3.5816 4.1895 4.1895 7.4094 7.4094 8.3362 8.3362 8.9193 8.9193 9.3573 9.3573 10.4515 10.4515 k = 0.0706 0.7838-0.0000 ( 4460 PWs) bands (ev): -19.1809 -19.1809 -19.1777 -19.1777 -13.8936 -13.8936 -13.8826 -13.8826 -4.3696 -4.3696 -4.3164 -4.3164 -2.9678 -2.9678 -2.7853 -2.7853 -2.7766 -2.7766 -2.6344 -2.6344 -2.5127 -2.5127 -0.2517 -0.2517 0.2656 0.2656 0.5769 0.5769 0.7363 0.7363 1.3667 1.3667 1.5402 1.5402 1.7612 1.7612 1.9017 1.9017 2.0074 2.0074 2.1074 2.1074 2.2967 2.2967 2.3827 2.3827 2.4908 2.4908 3.6028 3.6028 4.1966 4.1966 7.4083 7.4083 8.3363 8.3363 8.9011 8.9011 9.3679 9.3679 10.4659 10.4659 k = 0.0530 0.7838-0.0000 ( 4460 PWs) bands (ev): -19.1805 -19.1805 -19.1781 -19.1781 -13.8934 -13.8934 -13.8826 -13.8826 -4.3705 -4.3705 -4.3170 -4.3170 -2.9702 -2.9702 -2.7843 -2.7843 -2.7792 -2.7792 -2.6319 -2.6319 -2.5101 -2.5101 -0.2500 -0.2500 0.2583 0.2583 0.5715 0.5715 0.7372 0.7372 1.3740 1.3740 1.5577 1.5577 1.7804 1.7804 1.9093 1.9093 2.0201 2.0201 2.1050 2.1050 2.2814 2.2814 2.3582 2.3582 2.4593 2.4593 3.6195 3.6195 4.2024 4.2024 7.4074 7.4074 8.3369 8.3369 8.8860 8.8860 9.3767 9.3767 10.4812 10.4812 k = 0.0353 0.7838-0.0000 ( 4458 PWs) bands (ev): -19.1801 -19.1801 -19.1785 -19.1785 -13.8932 -13.8932 -13.8826 -13.8826 -4.3712 -4.3712 -4.3174 -4.3174 -2.9719 -2.9719 -2.7835 -2.7835 -2.7810 -2.7810 -2.6301 -2.6301 -2.5083 -2.5083 -0.2488 -0.2488 0.2530 0.2530 0.5674 0.5674 0.7379 0.7379 1.3792 1.3792 1.5709 1.5709 1.7949 1.7949 1.9168 1.9168 2.0352 2.0352 2.1004 2.1004 2.2639 2.2639 2.3398 2.3398 2.4377 2.4377 3.6316 3.6316 4.2067 4.2067 7.4068 7.4068 8.3376 8.3376 8.8747 8.8747 9.3833 9.3833 10.4964 10.4964 k = 0.0177 0.7838-0.0000 ( 4454 PWs) bands (ev): -19.1798 -19.1798 -19.1788 -19.1788 -13.8931 -13.8931 -13.8827 -13.8827 -4.3716 -4.3716 -4.3177 -4.3177 -2.9730 -2.9730 -2.7830 -2.7830 -2.7821 -2.7821 -2.6290 -2.6290 -2.5071 -2.5071 -0.2480 -0.2480 0.2498 0.2498 0.5650 0.5650 0.7383 0.7383 1.3824 1.3824 1.5791 1.5791 1.8036 1.8036 1.9225 1.9225 2.0508 2.0508 2.0934 2.0934 2.2494 2.2494 2.3282 2.3282 2.4256 2.4256 3.6389 3.6389 4.2094 4.2094 7.4064 7.4064 8.3381 8.3381 8.8677 8.8677 9.3873 9.3873 10.5092 10.5092 k = 0.0000 0.7838-0.0000 ( 4454 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8931 -13.8931 -13.8827 -13.8827 -4.3717 -4.3717 -4.3177 -4.3177 -2.9733 -2.9733 -2.7828 -2.7828 -2.7825 -2.7825 -2.6286 -2.6286 -2.5067 -2.5067 -0.2477 -0.2477 0.2487 0.2487 0.5642 0.5642 0.7384 0.7384 1.3834 1.3834 1.5819 1.5819 1.8066 1.8066 1.9246 1.9246 2.0592 2.0592 2.0883 2.0883 2.2437 2.2437 2.3241 2.3241 2.4218 2.4218 3.6413 3.6413 4.2103 4.2103 7.4063 7.4063 8.3383 8.3383 8.8653 8.8653 9.3887 9.3887 10.5146 10.5146 k = 0.0000 0.7838-0.0000 ( 4454 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8931 -13.8931 -13.8827 -13.8827 -4.3717 -4.3717 -4.3177 -4.3177 -2.9733 -2.9733 -2.7828 -2.7828 -2.7825 -2.7825 -2.6286 -2.6286 -2.5067 -2.5067 -0.2477 -0.2477 0.2487 0.2487 0.5642 0.5642 0.7384 0.7384 1.3834 1.3834 1.5819 1.5819 1.8066 1.8066 1.9246 1.9246 2.0592 2.0592 2.0883 2.0883 2.2437 2.2437 2.3241 2.3241 2.4218 2.4218 3.6413 3.6413 4.2103 4.2103 7.4063 7.4063 8.3383 8.3383 8.8653 8.8653 9.3887 9.3887 10.5146 10.5146 k = 0.0000 0.7838 0.0180 ( 4454 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8931 -13.8931 -13.8827 -13.8827 -4.3717 -4.3717 -4.3178 -4.3178 -2.9745 -2.9745 -2.8044 -2.8044 -2.7609 -2.7609 -2.6271 -2.6271 -2.5058 -2.5058 -0.2533 -0.2533 0.2502 0.2502 0.5674 0.5674 0.7389 0.7389 1.3834 1.3834 1.5813 1.5813 1.8061 1.8061 1.9231 1.9231 2.0571 2.0571 2.0923 2.0923 2.2445 2.2445 2.3247 2.3247 2.4212 2.4212 3.6408 3.6408 4.2093 4.2093 7.4063 7.4063 8.3379 8.3379 8.8578 8.8578 9.3949 9.3949 10.5193 10.5193 k = 0.0000 0.7838 0.0361 ( 4454 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8931 -13.8931 -13.8827 -13.8827 -4.3714 -4.3714 -4.3178 -4.3178 -2.9780 -2.9780 -2.8260 -2.8260 -2.7391 -2.7391 -2.6226 -2.6226 -2.5030 -2.5030 -0.2694 -0.2694 0.2545 0.2545 0.5767 0.5767 0.7401 0.7401 1.3833 1.3833 1.5794 1.5794 1.8046 1.8046 1.9189 1.9189 2.0529 2.0529 2.1020 2.1020 2.2468 2.2468 2.3267 2.3267 2.4193 2.4193 3.6393 3.6393 4.2065 4.2065 7.4063 7.4063 8.3368 8.3368 8.8365 8.8365 9.4125 9.4125 10.5327 10.5327 k = 0.0000 0.7838 0.0541 ( 4448 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8930 -13.8930 -13.8827 -13.8827 -4.3710 -4.3710 -4.3179 -4.3179 -2.9835 -2.9835 -2.8474 -2.8474 -2.7174 -2.7174 -2.6153 -2.6153 -2.4983 -2.4983 -0.2953 -0.2953 0.2614 0.2614 0.5914 0.5914 0.7422 0.7422 1.3831 1.3831 1.5763 1.5763 1.8022 1.8022 1.9127 1.9127 2.0485 2.0485 2.1149 2.1149 2.2505 2.2505 2.3300 2.3300 2.4163 2.4163 3.6369 3.6369 4.2019 4.2019 7.4062 7.4062 8.3353 8.3353 8.8039 8.8039 9.4388 9.4388 10.5519 10.5519 k = 0.0000 0.7838 0.0721 ( 4448 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8929 -13.8929 -13.8828 -13.8828 -4.3704 -4.3704 -4.3180 -4.3180 -2.9908 -2.9908 -2.8685 -2.8685 -2.6959 -2.6959 -2.6056 -2.6056 -2.4917 -2.4917 -0.3294 -0.3294 0.2706 0.2706 0.6102 0.6102 0.7451 0.7451 1.3828 1.3828 1.5719 1.5719 1.7986 1.7986 1.9051 1.9051 2.0445 2.0445 2.1297 2.1297 2.2554 2.2554 2.3348 2.3348 2.4122 2.4122 3.6335 3.6335 4.1954 4.1954 7.4062 7.4062 8.3337 8.3337 8.7630 8.7630 9.4705 9.4705 10.5606 10.5606 k = 0.0000 0.7838 0.0902 ( 4448 PWs) bands (ev): -19.1796 -19.1796 -19.1790 -19.1790 -13.8929 -13.8929 -13.8829 -13.8829 -4.3697 -4.3697 -4.3182 -4.3182 -2.9996 -2.9996 -2.8893 -2.8893 -2.6746 -2.6746 -2.5938 -2.5938 -2.4831 -2.4831 -0.3706 -0.3706 0.2821 0.2821 0.6322 0.6322 0.7487 0.7487 1.3824 1.3824 1.5662 1.5662 1.7940 1.7940 1.8969 1.8969 2.0408 2.0408 2.1458 2.1458 2.2612 2.2612 2.3410 2.3410 2.4071 2.4071 3.6293 3.6293 4.1872 4.1872 7.4061 7.4061 8.3326 8.3326 8.7162 8.7162 9.5047 9.5047 10.5524 10.5524 k = 0.0000 0.7838 0.1082 ( 4452 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8927 -13.8927 -13.8830 -13.8830 -4.3688 -4.3688 -4.3184 -4.3184 -3.0095 -3.0095 -2.9098 -2.9098 -2.6536 -2.6536 -2.5805 -2.5805 -2.4725 -2.4725 -0.4173 -0.4173 0.2955 0.2955 0.6560 0.6560 0.7532 0.7532 1.3817 1.3817 1.5591 1.5591 1.7884 1.7884 1.8888 1.8888 2.0372 2.0372 2.1629 2.1629 2.2678 2.2678 2.3489 2.3489 2.4013 2.4013 3.6243 3.6243 4.1770 4.1770 7.4059 7.4059 8.3325 8.3325 8.6654 8.6654 9.5393 9.5393 10.5393 10.5393 k = 0.0000 0.7838 0.1263 ( 4450 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8926 -13.8926 -13.8831 -13.8831 -4.3678 -4.3678 -4.3187 -4.3187 -3.0203 -3.0203 -2.9297 -2.9297 -2.6330 -2.6330 -2.5661 -2.5661 -2.4596 -2.4596 -0.4685 -0.4685 0.3109 0.3109 0.6807 0.6807 0.7584 0.7584 1.3808 1.3808 1.5508 1.5508 1.7818 1.7818 1.8811 1.8811 2.0335 2.0335 2.1803 2.1803 2.2753 2.2753 2.3581 2.3581 2.3952 2.3952 3.6188 3.6188 4.1652 4.1652 7.4056 7.4056 8.3340 8.3340 8.6119 8.6119 9.5721 9.5721 10.5246 10.5246 k = 0.0000 0.7838 0.1443 ( 4452 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8925 -13.8925 -13.8832 -13.8832 -4.3667 -4.3667 -4.3190 -4.3190 -3.0315 -3.0315 -2.9492 -2.9492 -2.6127 -2.6127 -2.5510 -2.5510 -2.4444 -2.4444 -0.5234 -0.5234 0.3282 0.3282 0.7054 0.7054 0.7643 0.7643 1.3793 1.3793 1.5412 1.5412 1.7744 1.7744 1.8741 1.8741 2.0293 2.0293 2.1976 2.1976 2.2837 2.2837 2.3678 2.3678 2.3899 2.3899 3.6129 3.6129 4.1515 4.1515 7.4054 7.4054 8.3377 8.3377 8.5567 8.5567 9.6015 9.6015 10.5100 10.5100 k = 0.0000 0.7838 0.1623 ( 4460 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8923 -13.8923 -13.8833 -13.8833 -4.3654 -4.3654 -4.3193 -4.3193 -3.0432 -3.0432 -2.9681 -2.9681 -2.5930 -2.5930 -2.5357 -2.5357 -2.4266 -2.4266 -0.5810 -0.5810 0.3472 0.3472 0.7293 0.7293 0.7711 0.7711 1.3771 1.3771 1.5308 1.5308 1.7666 1.7666 1.8676 1.8676 2.0243 2.0243 2.2140 2.2140 2.2934 2.2934 2.3733 2.3733 2.3904 2.3904 3.6066 3.6066 4.1362 4.1362 7.4052 7.4052 8.3440 8.3440 8.5005 8.5005 9.6257 9.6257 10.4967 10.4967 k = 0.0000 0.7838 0.1804 ( 4464 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8922 -13.8922 -13.8834 -13.8834 -4.3640 -4.3640 -4.3197 -4.3197 -3.0549 -3.0549 -2.9864 -2.9864 -2.5739 -2.5739 -2.5206 -2.5206 -2.4061 -2.4061 -0.6409 -0.6409 0.3681 0.3681 0.7520 0.7520 0.7786 0.7786 1.3739 1.3739 1.5198 1.5198 1.7586 1.7586 1.8618 1.8618 2.0184 2.0184 2.2287 2.2287 2.3046 2.3046 2.3710 2.3710 2.4009 2.4009 3.6003 3.6003 4.1192 4.1192 7.4053 7.4053 8.3530 8.3530 8.4439 8.4439 9.6435 9.6435 10.4862 10.4862 k = 0.0000 0.7838 0.1984 ( 4460 PWs) bands (ev): -19.1795 -19.1795 -19.1790 -19.1790 -13.8920 -13.8920 -13.8836 -13.8836 -4.3626 -4.3626 -4.3201 -4.3201 -3.0665 -3.0665 -3.0040 -3.0040 -2.5554 -2.5554 -2.5060 -2.5060 -2.3828 -2.3828 -0.7025 -0.7025 0.3907 0.3907 0.7724 0.7724 0.7876 0.7876 1.3691 1.3691 1.5088 1.5088 1.7507 1.7507 1.8563 1.8563 2.0112 2.0112 2.2411 2.2411 2.3163 2.3163 2.3687 2.3687 2.4152 2.4152 3.5940 3.5940 4.1006 4.1006 7.4058 7.4058 8.3634 8.3634 8.3893 8.3893 9.6534 9.6534 10.4798 10.4798 k = 0.0000 0.7838 0.2164 ( 4458 PWs) bands (ev): -19.1794 -19.1794 -19.1790 -19.1790 -13.8917 -13.8917 -13.8838 -13.8838 -4.3610 -4.3610 -4.3206 -4.3206 -3.0779 -3.0779 -3.0209 -3.0209 -2.5376 -2.5376 -2.4920 -2.4920 -2.3568 -2.3568 -0.7654 -0.7654 0.4149 0.4149 0.7881 0.7881 0.8000 0.8000 1.3621 1.3621 1.4987 1.4987 1.7430 1.7430 1.8513 1.8513 2.0026 2.0026 2.2510 2.2510 2.3250 2.3250 2.3722 2.3722 2.4308 2.4308 3.5881 3.5881 4.0806 4.0806 7.4068 7.4068 8.3280 8.3280 8.3840 8.3840 9.6545 9.6545 10.4786 10.4786 k = 0.0000 0.7838 0.2345 ( 4464 PWs) bands (ev): -19.1794 -19.1794 -19.1790 -19.1790 -13.8915 -13.8915 -13.8840 -13.8840 -4.3594 -4.3594 -4.3211 -4.3211 -3.0889 -3.0889 -3.0370 -3.0370 -2.5206 -2.5206 -2.4788 -2.4788 -2.3282 -2.3282 -0.8292 -0.8292 0.4407 0.4407 0.7991 0.7991 0.8157 0.8157 1.3524 1.3524 1.4902 1.4902 1.7355 1.7355 1.8465 1.8465 1.9923 1.9923 2.2588 2.2588 2.3273 2.3273 2.3848 2.3848 2.4471 2.4471 3.5827 3.5827 4.0590 4.0590 7.4086 7.4086 8.2724 8.2724 8.4030 8.4030 9.6463 9.6463 10.4831 10.4831 k = 0.0000 0.7838 0.2525 ( 4458 PWs) bands (ev): -19.1794 -19.1794 -19.1790 -19.1790 -13.8913 -13.8913 -13.8842 -13.8842 -4.3577 -4.3577 -4.3217 -4.3217 -3.0995 -3.0995 -3.0523 -3.0523 -2.5044 -2.5044 -2.4664 -2.4664 -2.2969 -2.2969 -0.8937 -0.8937 0.4679 0.4679 0.8087 0.8087 0.8314 0.8314 1.3393 1.3393 1.4839 1.4839 1.7283 1.7283 1.8418 1.8418 1.9805 1.9805 2.2651 2.2651 2.3252 2.3252 2.4042 2.4042 2.4638 2.4638 3.5781 3.5781 4.0362 4.0362 7.4115 7.4115 8.2170 8.2170 8.4261 8.4261 9.6291 9.6291 10.4934 10.4934 k = 0.0000 0.7838 0.2705 ( 4462 PWs) bands (ev): -19.1794 -19.1794 -19.1790 -19.1790 -13.8911 -13.8911 -13.8844 -13.8844 -4.3559 -4.3559 -4.3224 -4.3224 -3.1095 -3.1095 -3.0667 -3.0667 -2.4891 -2.4891 -2.4548 -2.4548 -2.2632 -2.2632 -0.9585 -0.9585 0.4964 0.4964 0.8180 0.8180 0.8457 0.8457 1.3228 1.3228 1.4804 1.4804 1.7213 1.7213 1.8374 1.8374 1.9672 1.9672 2.2702 2.2702 2.3215 2.3215 2.4268 2.4268 2.4807 2.4807 3.5746 3.5746 4.0121 4.0121 7.4157 7.4157 8.1623 8.1623 8.4529 8.4529 9.6034 9.6034 10.5093 10.5093 k = 0.0000 0.7838 0.2886 ( 4462 PWs) bands (ev): -19.1794 -19.1794 -19.1790 -19.1790 -13.8908 -13.8908 -13.8846 -13.8846 -4.3542 -4.3542 -4.3231 -4.3231 -3.1188 -3.1188 -3.0803 -3.0803 -2.4747 -2.4747 -2.4440 -2.4440 -2.2273 -2.2273 -1.0235 -1.0235 0.5261 0.5261 0.8273 0.8273 0.8584 0.8584 1.3030 1.3030 1.4795 1.4795 1.7143 1.7143 1.8331 1.8331 1.9526 1.9526 2.2745 2.2745 2.3176 2.3176 2.4506 2.4506 2.4976 2.4976 3.5723 3.5723 3.9868 3.9868 7.4215 7.4215 8.1086 8.1086 8.4831 8.4831 9.5704 9.5704 10.5299 10.5299 k = 0.0000 0.7838 0.3066 ( 4466 PWs) bands (ev): -19.1793 -19.1793 -19.1790 -19.1790 -13.8905 -13.8905 -13.8848 -13.8848 -4.3524 -4.3524 -4.3238 -4.3238 -3.1274 -3.1274 -3.0929 -3.0929 -2.4613 -2.4613 -2.4340 -2.4340 -2.1891 -2.1891 -1.0885 -1.0885 0.5568 0.5568 0.8364 0.8364 0.8695 0.8695 1.2805 1.2805 1.4811 1.4811 1.7073 1.7073 1.8290 1.8290 1.9370 1.9370 2.2783 2.2783 2.3140 2.3140 2.4744 2.4744 2.5141 2.5141 3.5716 3.5716 3.9606 3.9606 7.4289 7.4289 8.0562 8.0562 8.5167 8.5167 9.5309 9.5309 10.5545 10.5545 k = 0.0000 0.7838 0.3246 ( 4468 PWs) bands (ev): -19.1793 -19.1793 -19.1790 -19.1790 -13.8903 -13.8903 -13.8851 -13.8851 -4.3506 -4.3506 -4.3247 -4.3247 -3.1353 -3.1353 -3.1046 -3.1046 -2.4490 -2.4490 -2.4250 -2.4250 -2.1488 -2.1488 -1.1533 -1.1533 0.5882 0.5882 0.8451 0.8451 0.8794 0.8794 1.2556 1.2556 1.4849 1.4849 1.6999 1.6999 1.8251 1.8251 1.9209 1.9209 2.2815 2.2815 2.3109 2.3109 2.4976 2.4976 2.5302 2.5302 3.5727 3.5727 3.9335 3.9335 7.4383 7.4383 8.0052 8.0052 8.5533 8.5533 9.4864 9.4864 10.5821 10.5821 k = 0.0000 0.7838 0.3427 ( 4476 PWs) bands (ev): -19.1793 -19.1793 -19.1790 -19.1790 -13.8900 -13.8900 -13.8853 -13.8853 -4.3487 -4.3487 -4.3256 -4.3256 -3.1422 -3.1422 -3.1153 -3.1153 -2.4377 -2.4377 -2.4169 -2.4169 -2.1066 -2.1066 -1.2177 -1.2177 0.6202 0.6202 0.8532 0.8532 0.8883 0.8883 1.2288 1.2288 1.4907 1.4907 1.6918 1.6918 1.8216 1.8216 1.9047 1.9047 2.2842 2.2842 2.3082 2.3082 2.5196 2.5196 2.5456 2.5456 3.5758 3.5758 3.9058 3.9058 7.4499 7.4499 7.9557 7.9557 8.5930 8.5930 9.4378 9.4378 10.6121 10.6121 k = 0.0000 0.7838 0.3607 ( 4480 PWs) bands (ev): -19.1793 -19.1793 -19.1790 -19.1790 -13.8897 -13.8897 -13.8856 -13.8856 -4.3469 -4.3469 -4.3265 -4.3265 -3.1483 -3.1483 -3.1250 -3.1250 -2.4276 -2.4276 -2.4097 -2.4097 -2.0624 -2.0624 -1.2816 -1.2816 0.6525 0.6525 0.8601 0.8601 0.8968 0.8968 1.2007 1.2007 1.4983 1.4983 1.6829 1.6829 1.8186 1.8186 1.8890 1.8890 2.2867 2.2867 2.3060 2.3060 2.5398 2.5398 2.5601 2.5601 3.5813 3.5813 3.8776 3.8776 7.4636 7.4636 7.9078 7.9078 8.6354 8.6354 9.3860 9.3860 10.6437 10.6437 k = 0.0000 0.7838 0.3788 ( 4476 PWs) bands (ev): -19.1793 -19.1793 -19.1791 -19.1791 -13.8894 -13.8894 -13.8858 -13.8858 -4.3452 -4.3452 -4.3276 -4.3276 -3.1535 -3.1535 -3.1336 -3.1336 -2.4186 -2.4186 -2.4035 -2.4035 -2.0163 -2.0163 -1.3449 -1.3449 0.6846 0.6846 0.8653 0.8653 0.9055 0.9055 1.1715 1.1715 1.5076 1.5076 1.6728 1.6728 1.8161 1.8161 1.8743 1.8743 2.2889 2.2889 2.3042 2.3042 2.5579 2.5579 2.5735 2.5735 3.5892 3.5892 3.8492 3.8492 7.4797 7.4797 7.8617 7.8617 8.6803 8.6803 9.3320 9.3320 10.6764 10.6764 k = 0.0000 0.7838 0.3968 ( 4474 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8891 -13.8891 -13.8861 -13.8861 -4.3434 -4.3434 -4.3287 -4.3287 -3.1576 -3.1576 -3.1412 -3.1412 -2.4107 -2.4107 -2.3984 -2.3984 -1.9684 -1.9684 -1.4074 -1.4074 0.7161 0.7161 0.8683 0.8683 0.9153 0.9153 1.1416 1.1416 1.5183 1.5183 1.6614 1.6614 1.8142 1.8142 1.8610 1.8610 2.2908 2.2908 2.3027 2.3027 2.5735 2.5735 2.5855 2.5855 3.5996 3.5996 3.8208 3.8208 7.4982 7.4982 7.8175 7.8175 8.7276 8.7276 9.2763 9.2763 10.7097 10.7097 k = 0.0000 0.7838 0.4148 ( 4474 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8888 -13.8888 -13.8864 -13.8864 -4.3417 -4.3417 -4.3299 -4.3299 -3.1608 -3.1608 -3.1477 -3.1477 -2.4041 -2.4041 -2.3943 -2.3943 -1.9188 -1.9188 -1.4690 -1.4690 0.7463 0.7463 0.8686 0.8686 0.9267 0.9267 1.1113 1.1113 1.5304 1.5304 1.6487 1.6487 1.8132 1.8132 1.8493 1.8493 2.2924 2.2924 2.3015 2.3015 2.5866 2.5866 2.5956 2.5956 3.6125 3.6125 3.7926 3.7926 7.5193 7.5193 7.7753 7.7753 8.7769 8.7769 9.2195 9.2195 10.7435 10.7435 k = 0.0000 0.7838 0.4329 ( 4480 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8885 -13.8885 -13.8867 -13.8867 -4.3400 -4.3400 -4.3311 -4.3311 -3.1629 -3.1629 -3.1532 -3.1532 -2.3986 -2.3986 -2.3914 -2.3914 -1.8676 -1.8676 -1.5297 -1.5297 0.7745 0.7745 0.8660 0.8660 0.9402 0.9402 1.0813 1.0813 1.5436 1.5436 1.6347 1.6347 1.8132 1.8132 1.8393 1.8393 2.2939 2.2939 2.3003 2.3003 2.5970 2.5970 2.6037 2.6037 3.6281 3.6281 3.7650 3.7650 7.5428 7.5428 7.7351 7.7351 8.8282 8.8282 9.1623 9.1623 10.7773 10.7773 k = 0.0000 0.7838 0.4509 ( 4470 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8882 -13.8882 -13.8870 -13.8870 -4.3384 -4.3384 -4.3324 -4.3324 -3.1640 -3.1640 -3.1575 -3.1575 -2.3944 -2.3944 -2.3896 -2.3896 -1.8148 -1.8148 -1.5892 -1.5892 0.7998 0.7998 0.8604 0.8604 0.9565 0.9565 1.0520 1.0520 1.5580 1.5580 1.6198 1.6198 1.8142 1.8142 1.8312 1.8312 2.2952 2.2952 2.2994 2.2994 2.6048 2.6048 2.6093 2.6093 3.6461 3.6461 3.7383 3.7383 7.5688 7.5688 7.6972 7.6972 8.8812 8.8812 9.1049 9.1049 10.8109 10.8109 k = 0.0000 0.7838 0.4689 ( 4470 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8879 -13.8879 -13.8873 -13.8873 -4.3368 -4.3368 -4.3338 -4.3338 -3.1640 -3.1640 -3.1608 -3.1608 -2.3914 -2.3914 -2.3890 -2.3890 -1.7604 -1.7604 -1.6476 -1.6476 0.8212 0.8212 0.8514 0.8514 0.9759 0.9759 1.0242 1.0242 1.5730 1.5730 1.6043 1.6043 1.8164 1.8164 1.8248 1.8248 2.2963 2.2963 2.2984 2.2984 2.6100 2.6100 2.6122 2.6122 3.6663 3.6663 3.7127 3.7127 7.5972 7.5972 7.6615 7.6615 8.9357 8.9357 9.0478 9.0478 10.8442 10.8442 k = 0.0000 0.7838 0.4870 ( 4472 PWs) bands (ev): -19.1791 -19.1791 -19.1791 -19.1791 -13.8876 -13.8876 -13.8876 -13.8876 -4.3353 -4.3353 -4.3353 -4.3353 -3.1629 -3.1629 -3.1629 -3.1629 -2.3896 -2.3896 -2.3896 -2.3896 -1.7047 -1.7047 -1.7047 -1.7047 0.8384 0.8384 0.8384 0.8384 0.9986 0.9986 0.9986 0.9986 1.5886 1.5886 1.5886 1.5886 1.8198 1.8198 1.8198 1.8198 2.2974 2.2974 2.2974 2.2974 2.6125 2.6125 2.6125 2.6125 3.6886 3.6886 3.6886 3.6886 7.6282 7.6282 7.6282 7.6282 8.9913 8.9913 8.9913 8.9913 10.8771 10.8771 k = 0.0000 0.7838 0.4870 ( 4472 PWs) bands (ev): -19.1791 -19.1791 -19.1791 -19.1791 -13.8876 -13.8876 -13.8876 -13.8876 -4.3353 -4.3353 -4.3353 -4.3353 -3.1629 -3.1629 -3.1629 -3.1629 -2.3896 -2.3896 -2.3896 -2.3896 -1.7047 -1.7047 -1.7047 -1.7047 0.8384 0.8384 0.8384 0.8384 0.9986 0.9986 0.9986 0.9986 1.5886 1.5886 1.5886 1.5886 1.8198 1.8198 1.8198 1.8198 2.2974 2.2974 2.2974 2.2974 2.6125 2.6125 2.6125 2.6125 3.6886 3.6886 3.6886 3.6886 7.6282 7.6282 7.6282 7.6282 8.9913 8.9913 8.9913 8.9913 10.8771 10.8771 k = 0.0177 0.7838 0.4870 ( 4480 PWs) bands (ev): -19.1791 -19.1791 -19.1791 -19.1791 -13.8876 -13.8876 -13.8876 -13.8876 -4.3354 -4.3354 -4.3350 -4.3350 -3.1628 -3.1628 -3.1627 -3.1627 -2.3898 -2.3898 -2.3896 -2.3896 -1.7055 -1.7055 -1.7044 -1.7044 0.8351 0.8351 0.8412 0.8412 0.9987 0.9987 0.9994 0.9994 1.5829 1.5829 1.5925 1.5925 1.8146 1.8146 1.8261 1.8261 2.2923 2.2923 2.3022 2.3022 2.6101 2.6101 2.6168 2.6168 3.6864 3.6864 3.6891 3.6891 7.6258 7.6258 7.6313 7.6313 8.9891 8.9891 8.9933 8.9933 10.8783 10.8788 k = 0.0353 0.7838 0.4870 ( 4478 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8877 -13.8877 -13.8876 -13.8876 -4.3353 -4.3353 -4.3346 -4.3346 -3.1622 -3.1622 -3.1620 -3.1620 -2.3902 -2.3902 -2.3897 -2.3897 -1.7070 -1.7070 -1.7047 -1.7047 0.8314 0.8314 0.8434 0.8434 0.9998 0.9998 1.0012 1.0012 1.5755 1.5755 1.5947 1.5947 1.8105 1.8105 1.8334 1.8334 2.2870 2.2870 2.3068 2.3068 2.6098 2.6098 2.6229 2.6229 3.6825 3.6825 3.6880 3.6880 7.6241 7.6241 7.6351 7.6351 8.9870 8.9870 8.9952 8.9952 10.8826 10.8826 k = 0.0530 0.7838 0.4870 ( 4472 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8877 -13.8877 -13.8877 -13.8877 -4.3350 -4.3350 -4.3340 -4.3340 -3.1613 -3.1613 -3.1609 -3.1609 -2.3908 -2.3908 -2.3900 -2.3900 -1.7089 -1.7089 -1.7056 -1.7056 0.8273 0.8273 0.8452 0.8452 1.0018 1.0018 1.0038 1.0038 1.5667 1.5667 1.5953 1.5953 1.8074 1.8074 1.8415 1.8415 2.2813 2.2813 2.3112 2.3112 2.6114 2.6114 2.6306 2.6306 3.6770 3.6770 3.6852 3.6852 7.6232 7.6232 7.6397 7.6397 8.9847 8.9847 8.9970 8.9970 10.8899 10.8899 k = 0.0706 0.7838 0.4870 ( 4466 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8878 -13.8878 -13.8877 -13.8877 -4.3346 -4.3346 -4.3333 -4.3333 -3.1599 -3.1599 -3.1594 -3.1594 -2.3915 -2.3915 -2.3905 -2.3905 -1.7114 -1.7114 -1.7070 -1.7070 0.8230 0.8230 0.8466 0.8466 1.0044 1.0044 1.0073 1.0073 1.5567 1.5567 1.5944 1.5944 1.8052 1.8052 1.8502 1.8502 2.2754 2.2754 2.3155 2.3155 2.6150 2.6150 2.6398 2.6398 3.6700 3.6700 3.6809 3.6809 7.6232 7.6232 7.6449 7.6449 8.9823 8.9823 8.9985 8.9985 10.9000 10.9000 k = 0.0883 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1792 -19.1792 -19.1792 -19.1792 -13.8880 -13.8880 -13.8878 -13.8878 -4.3340 -4.3340 -4.3324 -4.3324 -3.1583 -3.1583 -3.1576 -3.1576 -2.3923 -2.3923 -2.3911 -2.3911 -1.7144 -1.7144 -1.7090 -1.7090 0.8185 0.8185 0.8478 0.8478 1.0077 1.0077 1.0114 1.0114 1.5459 1.5459 1.5924 1.5924 1.8038 1.8038 1.8591 1.8591 2.2693 2.2693 2.3195 2.3195 2.6205 2.6205 2.6503 2.6503 3.6615 3.6615 3.6750 3.6750 7.6242 7.6242 7.6509 7.6509 8.9797 8.9797 8.9997 8.9997 10.9126 10.9126 k = 0.1059 0.7838 0.4870 ( 4470 PWs) bands (ev): -19.1792 -19.1792 -19.1792 -19.1792 -13.8881 -13.8881 -13.8880 -13.8880 -4.3332 -4.3332 -4.3313 -4.3313 -3.1563 -3.1563 -3.1555 -3.1555 -2.3932 -2.3932 -2.3918 -2.3918 -1.7178 -1.7178 -1.7114 -1.7114 0.8140 0.8140 0.8487 0.8487 1.0113 1.0113 1.0161 1.0161 1.5345 1.5345 1.5894 1.5894 1.8029 1.8029 1.8680 1.8680 2.2629 2.2629 2.3235 2.3235 2.6276 2.6276 2.6618 2.6618 3.6518 3.6518 3.6678 3.6678 7.6262 7.6262 7.6576 7.6576 8.9768 8.9768 9.0005 9.0005 10.9274 10.9274 k = 0.1236 0.7838 0.4870 ( 4466 PWs) bands (ev): -19.1792 -19.1792 -19.1792 -19.1792 -13.8883 -13.8883 -13.8881 -13.8881 -4.3324 -4.3324 -4.3302 -4.3302 -3.1540 -3.1540 -3.1532 -3.1532 -2.3942 -2.3942 -2.3926 -2.3926 -1.7216 -1.7216 -1.7143 -1.7143 0.8096 0.8096 0.8495 0.8495 1.0151 1.0151 1.0210 1.0210 1.5231 1.5231 1.5859 1.5859 1.8025 1.8025 1.8766 1.8766 2.2566 2.2566 2.3272 2.3272 2.6362 2.6362 2.6740 2.6740 3.6409 3.6409 3.6593 3.6593 7.6293 7.6293 7.6651 7.6651 8.9736 8.9736 9.0006 9.0006 10.9439 10.9440 k = 0.1412 0.7838 0.4870 ( 4462 PWs) bands (ev): -19.1793 -19.1793 -19.1792 -19.1792 -13.8884 -13.8884 -13.8882 -13.8882 -4.3314 -4.3314 -4.3290 -4.3290 -3.1515 -3.1515 -3.1506 -3.1506 -2.3953 -2.3953 -2.3935 -2.3935 -1.7256 -1.7256 -1.7175 -1.7175 0.8054 0.8054 0.8504 0.8504 1.0189 1.0189 1.0262 1.0262 1.5118 1.5118 1.5820 1.5820 1.8024 1.8024 1.8848 1.8848 2.2503 2.2503 2.3308 2.3308 2.6458 2.6458 2.6867 2.6867 3.6291 3.6291 3.6499 3.6499 7.6336 7.6336 7.6735 7.6735 8.9698 8.9698 9.0001 9.0001 10.9618 10.9618 k = 0.1589 0.7838 0.4870 ( 4464 PWs) bands (ev): -19.1793 -19.1793 -19.1792 -19.1792 -13.8886 -13.8886 -13.8884 -13.8884 -4.3303 -4.3303 -4.3277 -4.3277 -3.1488 -3.1488 -3.1478 -3.1478 -2.3964 -2.3964 -2.3944 -2.3944 -1.7299 -1.7299 -1.7210 -1.7210 0.8016 0.8016 0.8513 0.8513 1.0226 1.0226 1.0314 1.0314 1.5011 1.5011 1.5779 1.5779 1.8025 1.8025 1.8923 1.8923 2.2442 2.2442 2.3341 2.3341 2.6563 2.6563 2.6997 2.6997 3.6166 3.6166 3.6396 3.6396 7.6391 7.6391 7.6826 7.6826 8.9655 8.9655 8.9988 8.9988 10.9803 10.9808 k = 0.1765 0.7838 0.4870 ( 4462 PWs) bands (ev): -19.1793 -19.1793 -19.1793 -19.1793 -13.8888 -13.8888 -13.8886 -13.8886 -4.3292 -4.3292 -4.3263 -4.3263 -3.1461 -3.1461 -3.1450 -3.1450 -2.3974 -2.3974 -2.3953 -2.3953 -1.7344 -1.7344 -1.7248 -1.7248 0.7981 0.7981 0.8523 0.8523 1.0259 1.0259 1.0365 1.0365 1.4911 1.4911 1.5740 1.5740 1.8028 1.8028 1.8990 1.8990 2.2386 2.2386 2.3372 2.3372 2.6671 2.6671 2.7125 2.7125 3.6037 3.6037 3.6288 3.6288 7.6459 7.6459 7.6927 7.6927 8.9605 8.9605 8.9965 8.9965 10.9988 10.9989 k = 0.1942 0.7838 0.4870 ( 4464 PWs) bands (ev): -19.1794 -19.1794 -19.1793 -19.1793 -13.8890 -13.8890 -13.8888 -13.8888 -4.3280 -4.3280 -4.3250 -4.3250 -3.1432 -3.1432 -3.1421 -3.1421 -2.3984 -2.3984 -2.3962 -2.3962 -1.7389 -1.7389 -1.7288 -1.7288 0.7952 0.7952 0.8534 0.8534 1.0287 1.0287 1.0413 1.0413 1.4822 1.4822 1.5703 1.5703 1.8031 1.8031 1.9046 1.9046 2.2334 2.2334 2.3400 2.3400 2.6780 2.6780 2.7249 2.7249 3.5907 3.5907 3.6177 3.6177 7.6540 7.6540 7.7035 7.7035 8.9548 8.9548 8.9933 8.9933 11.0165 11.0171 k = 0.2119 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1794 -19.1794 -19.1794 -19.1794 -13.8893 -13.8893 -13.8890 -13.8890 -4.3268 -4.3268 -4.3236 -4.3236 -3.1403 -3.1403 -3.1392 -3.1392 -2.3994 -2.3994 -2.3970 -2.3970 -1.7434 -1.7434 -1.7328 -1.7328 0.7928 0.7928 0.8546 0.8546 1.0310 1.0310 1.0456 1.0456 1.4746 1.4746 1.5670 1.5670 1.8035 1.8035 1.9091 1.9091 2.2290 2.2290 2.3425 2.3425 2.6884 2.6884 2.7364 2.7364 3.5779 3.5779 3.6066 3.6066 7.6632 7.6632 7.7151 7.7151 8.9482 8.9482 8.9889 8.9889 11.0325 11.0326 k = 0.2295 0.7838 0.4870 ( 4472 PWs) bands (ev): -19.1795 -19.1795 -19.1794 -19.1794 -13.8895 -13.8895 -13.8892 -13.8892 -4.3256 -4.3256 -4.3223 -4.3223 -3.1375 -3.1375 -3.1363 -3.1363 -2.4002 -2.4002 -2.3977 -2.3977 -1.7477 -1.7477 -1.7367 -1.7367 0.7910 0.7910 0.8559 0.8559 1.0327 1.0327 1.0494 1.0494 1.4685 1.4685 1.5644 1.5644 1.8038 1.8038 1.9125 1.9125 2.2253 2.2253 2.3447 2.3447 2.6981 2.6981 2.7468 2.7468 3.5657 3.5657 3.5958 3.5958 7.6736 7.6736 7.7272 7.7272 8.9409 8.9409 8.9835 8.9835 11.0461 11.0463 k = 0.2472 0.7838 0.4870 ( 4464 PWs) bands (ev): -19.1795 -19.1795 -19.1795 -19.1795 -13.8897 -13.8897 -13.8894 -13.8894 -4.3245 -4.3245 -4.3211 -4.3211 -3.1348 -3.1348 -3.1336 -3.1336 -2.4009 -2.4009 -2.3984 -2.3984 -1.7518 -1.7518 -1.7406 -1.7406 0.7898 0.7898 0.8573 0.8573 1.0337 1.0337 1.0526 1.0526 1.4641 1.4641 1.5624 1.5624 1.8040 1.8040 1.9148 1.9148 2.2226 2.2226 2.3466 2.3466 2.7065 2.7065 2.7557 2.7557 3.5544 3.5544 3.5858 3.5858 7.6850 7.6850 7.7397 7.7397 8.9329 8.9329 8.9769 8.9769 11.0565 11.0566 k = 0.2648 0.7838 0.4870 ( 4462 PWs) bands (ev): -19.1796 -19.1796 -19.1795 -19.1795 -13.8899 -13.8899 -13.8896 -13.8896 -4.3235 -4.3235 -4.3200 -4.3200 -3.1322 -3.1322 -3.1310 -3.1310 -2.4015 -2.4015 -2.3990 -2.3990 -1.7555 -1.7555 -1.7442 -1.7442 0.7893 0.7893 0.8587 0.8587 1.0340 1.0340 1.0550 1.0550 1.4614 1.4614 1.5611 1.5611 1.8042 1.8042 1.9159 1.9159 2.2209 2.2209 2.3482 2.3482 2.7134 2.7134 2.7627 2.7627 3.5445 3.5445 3.5767 3.5767 7.6971 7.6971 7.7524 7.7524 8.9244 8.9244 8.9695 8.9695 11.0631 11.0631 k = 0.2825 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1797 -19.1797 -19.1796 -19.1796 -13.8901 -13.8901 -13.8898 -13.8898 -4.3226 -4.3226 -4.3191 -4.3191 -3.1297 -3.1297 -3.1286 -3.1286 -2.4020 -2.4020 -2.3994 -2.3994 -1.7589 -1.7589 -1.7475 -1.7475 0.7895 0.7895 0.8598 0.8598 1.0337 1.0337 1.0565 1.0565 1.4605 1.4605 1.5605 1.5605 1.8041 1.8041 1.9160 1.9160 2.2202 2.2202 2.3495 2.3495 2.7183 2.7183 2.7675 2.7675 3.5362 3.5362 3.5689 3.5689 7.7097 7.7097 7.7648 7.7648 8.9155 8.9155 8.9612 8.9612 11.0656 11.0658 k = 0.2825 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1797 -19.1797 -19.1796 -19.1796 -13.8901 -13.8901 -13.8898 -13.8898 -4.3226 -4.3226 -4.3191 -4.3191 -3.1297 -3.1297 -3.1286 -3.1286 -2.4020 -2.4020 -2.3994 -2.3994 -1.7589 -1.7589 -1.7475 -1.7475 0.7895 0.7895 0.8598 0.8598 1.0337 1.0337 1.0565 1.0565 1.4605 1.4605 1.5605 1.5605 1.8041 1.8041 1.9160 1.9160 2.2202 2.2202 2.3495 2.3495 2.7183 2.7183 2.7675 2.7675 3.5362 3.5362 3.5689 3.5689 7.7097 7.7097 7.7648 7.7648 8.9155 8.9155 8.9612 8.9612 11.0656 11.0656 k = 0.2763 0.7668 0.4870 ( 4464 PWs) bands (ev): -19.1795 -19.1795 -19.1794 -19.1794 -13.8895 -13.8895 -13.8893 -13.8893 -4.3252 -4.3252 -4.3218 -4.3218 -3.1364 -3.1364 -3.1351 -3.1351 -2.4009 -2.4009 -2.3983 -2.3983 -1.7496 -1.7496 -1.7382 -1.7382 0.7882 0.7882 0.8567 0.8567 1.0355 1.0355 1.0532 1.0532 1.4602 1.4602 1.5612 1.5612 1.8045 1.8045 1.9166 1.9166 2.2218 2.2218 2.3462 2.3462 2.7058 2.7058 2.7560 2.7560 3.5586 3.5586 3.5903 3.5903 7.6708 7.6708 7.7274 7.7274 8.9432 8.9432 8.9878 8.9878 11.0652 11.0653 k = 0.2702 0.7497 0.4870 ( 4480 PWs) bands (ev): -19.1793 -19.1793 -19.1792 -19.1792 -13.8890 -13.8890 -13.8887 -13.8887 -4.3282 -4.3282 -4.3248 -4.3248 -3.1421 -3.1421 -3.1406 -3.1406 -2.3999 -2.3999 -2.3973 -2.3973 -1.7406 -1.7406 -1.7292 -1.7292 0.7873 0.7873 0.8541 0.8541 1.0373 1.0373 1.0499 1.0499 1.4597 1.4597 1.5619 1.5619 1.8046 1.8046 1.9161 1.9161 2.2250 2.2250 2.3436 2.3436 2.6919 2.6919 2.7431 2.7431 3.5812 3.5812 3.6118 3.6118 7.6310 7.6310 7.6892 7.6892 8.9723 8.9723 9.0154 9.0154 11.0675 11.0676 k = 0.2640 0.7327 0.4870 ( 4468 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8885 -13.8885 -13.8883 -13.8883 -4.3313 -4.3313 -4.3280 -4.3280 -3.1467 -3.1467 -3.1451 -3.1451 -2.3990 -2.3990 -2.3964 -2.3964 -1.7318 -1.7318 -1.7204 -1.7204 0.7870 0.7870 0.8520 0.8520 1.0393 1.0393 1.0468 1.0468 1.4591 1.4591 1.5626 1.5626 1.8047 1.8047 1.9148 1.9148 2.2299 2.2299 2.3418 2.3418 2.6769 2.6769 2.7291 2.7291 3.6038 3.6038 3.6333 3.6333 7.5909 7.5909 7.6503 7.6503 9.0025 9.0025 9.0438 9.0438 11.0728 11.0729 k = 0.2579 0.7156 0.4870 ( 4472 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8881 -13.8881 -13.8878 -13.8878 -4.3347 -4.3347 -4.3314 -4.3314 -3.1503 -3.1503 -3.1485 -3.1485 -2.3983 -2.3983 -2.3957 -2.3957 -1.7233 -1.7233 -1.7120 -1.7120 0.7872 0.7872 0.8504 0.8504 1.0414 1.0414 1.0437 1.0437 1.4582 1.4582 1.5631 1.5631 1.8045 1.8045 1.9128 1.9128 2.2362 2.2362 2.3408 2.3408 2.6607 2.6607 2.7141 2.7141 3.6261 3.6261 3.6546 3.6546 7.5508 7.5508 7.6113 7.6113 9.0332 9.0332 9.0726 9.0726 11.0813 11.0814 k = 0.2518 0.6986 0.4870 ( 4460 PWs) bands (ev): -19.1792 -19.1792 -19.1791 -19.1791 -13.8878 -13.8878 -13.8875 -13.8875 -4.3384 -4.3384 -4.3351 -4.3351 -3.1529 -3.1529 -3.1509 -3.1509 -2.3978 -2.3978 -2.3951 -2.3951 -1.7150 -1.7150 -1.7038 -1.7038 0.7879 0.7879 0.8494 0.8494 1.0407 1.0407 1.0437 1.0437 1.4572 1.4572 1.5634 1.5634 1.8041 1.8041 1.9103 1.9103 2.2439 2.2439 2.3408 2.3408 2.6435 2.6435 2.6984 2.6984 3.6481 3.6481 3.6756 3.6756 7.5108 7.5108 7.5724 7.5724 9.0642 9.0642 9.1014 9.1014 11.0931 11.0931 k = 0.2456 0.6816 0.4870 ( 4468 PWs) bands (ev): -19.1792 -19.1792 -19.1792 -19.1792 -13.8875 -13.8875 -13.8872 -13.8872 -4.3423 -4.3423 -4.3391 -4.3391 -3.1544 -3.1544 -3.1523 -3.1523 -2.3973 -2.3973 -2.3947 -2.3947 -1.7071 -1.7071 -1.6960 -1.6960 0.7890 0.7890 0.8489 0.8489 1.0379 1.0379 1.0461 1.0461 1.4559 1.4559 1.5634 1.5634 1.8035 1.8035 1.9075 1.9075 2.2527 2.2527 2.3415 2.3415 2.6253 2.6253 2.6819 2.6819 3.6695 3.6695 3.6961 3.6961 7.4712 7.4712 7.5337 7.5337 9.0953 9.0953 9.1302 9.1302 11.1082 11.1082 k = 0.2395 0.6645 0.4870 ( 4476 PWs) bands (ev): -19.1793 -19.1793 -19.1793 -19.1793 -13.8873 -13.8873 -13.8870 -13.8870 -4.3465 -4.3465 -4.3433 -4.3433 -3.1549 -3.1549 -3.1526 -3.1526 -2.3970 -2.3970 -2.3944 -2.3944 -1.6995 -1.6995 -1.6886 -1.6886 0.7907 0.7907 0.8490 0.8490 1.0351 1.0351 1.0487 1.0487 1.4544 1.4544 1.5632 1.5632 1.8025 1.8025 1.9045 1.9045 2.2624 2.2624 2.3431 2.3431 2.6063 2.6063 2.6648 2.6648 3.6901 3.6901 3.7160 3.7160 7.4323 7.4323 7.4955 7.4955 9.1264 9.1264 9.1587 9.1587 11.1265 11.1265 k = 0.2333 0.6475 0.4870 ( 4484 PWs) bands (ev): -19.1795 -19.1795 -19.1795 -19.1795 -13.8872 -13.8872 -13.8869 -13.8869 -4.3508 -4.3508 -4.3477 -4.3477 -3.1544 -3.1544 -3.1519 -3.1519 -2.3969 -2.3969 -2.3942 -2.3942 -1.6923 -1.6923 -1.6816 -1.6816 0.7929 0.7929 0.8495 0.8495 1.0326 1.0326 1.0516 1.0516 1.4527 1.4527 1.5626 1.5626 1.8012 1.8012 1.9015 1.9015 2.2732 2.2732 2.3457 2.3457 2.5864 2.5864 2.6472 2.6472 3.7098 3.7098 3.7350 3.7350 7.3940 7.3940 7.4578 7.4578 9.1572 9.1572 9.1870 9.1870 11.1479 11.1479 k = 0.2272 0.6305 0.4870 ( 4472 PWs) bands (ev): -19.1797 -19.1797 -19.1797 -19.1797 -13.8871 -13.8871 -13.8868 -13.8868 -4.3554 -4.3554 -4.3524 -4.3524 -3.1528 -3.1528 -3.1502 -3.1502 -2.3969 -2.3969 -2.3942 -2.3942 -1.6855 -1.6855 -1.6749 -1.6749 0.7957 0.7957 0.8507 0.8507 1.0303 1.0303 1.0547 1.0547 1.4509 1.4509 1.5617 1.5617 1.7994 1.7994 1.8987 1.8987 2.2848 2.2848 2.3493 2.3493 2.5659 2.5659 2.6294 2.6294 3.7286 3.7286 3.7532 3.7532 7.3565 7.3565 7.4208 7.4208 9.1879 9.1879 9.2150 9.2150 11.1719 11.1719 k = 0.2211 0.6134 0.4870 ( 4472 PWs) bands (ev): -19.1800 -19.1800 -19.1800 -19.1800 -13.8871 -13.8871 -13.8868 -13.8868 -4.3602 -4.3602 -4.3572 -4.3572 -3.1502 -3.1502 -3.1474 -3.1474 -2.3970 -2.3970 -2.3943 -2.3943 -1.6790 -1.6790 -1.6687 -1.6687 0.7989 0.7989 0.8522 0.8522 1.0283 1.0283 1.0580 1.0580 1.4489 1.4489 1.5605 1.5605 1.7972 1.7972 1.8961 1.8961 2.2973 2.2973 2.3538 2.3538 2.5447 2.5447 2.6114 2.6114 3.7462 3.7462 3.7704 3.7704 7.3198 7.3198 7.3845 7.3845 9.2184 9.2184 9.2428 9.2428 11.1981 11.1981 k = 0.2149 0.5964 0.4870 ( 4468 PWs) bands (ev): -19.1804 -19.1804 -19.1803 -19.1803 -13.8872 -13.8872 -13.8869 -13.8869 -4.3652 -4.3652 -4.3623 -4.3623 -3.1467 -3.1467 -3.1437 -3.1437 -2.3973 -2.3973 -2.3945 -2.3945 -1.6729 -1.6729 -1.6628 -1.6628 0.8025 0.8025 0.8543 0.8543 1.0265 1.0265 1.0616 1.0616 1.4467 1.4467 1.5588 1.5588 1.7945 1.7945 1.8937 1.8937 2.3106 2.3106 2.3593 2.3593 2.5230 2.5230 2.5935 2.5935 3.7626 3.7626 3.7864 3.7864 7.2841 7.2841 7.3489 7.3489 9.2487 9.2487 9.2704 9.2704 11.2258 11.2258 k = 0.2088 0.5793 0.4870 ( 4472 PWs) bands (ev): -19.1808 -19.1808 -19.1807 -19.1807 -13.8873 -13.8873 -13.8870 -13.8870 -4.3703 -4.3703 -4.3675 -4.3675 -3.1422 -3.1422 -3.1390 -3.1390 -2.3977 -2.3977 -2.3949 -2.3949 -1.6672 -1.6672 -1.6574 -1.6574 0.8066 0.8066 0.8568 0.8568 1.0249 1.0249 1.0655 1.0655 1.4444 1.4444 1.5568 1.5568 1.7912 1.7912 1.8915 1.8915 2.3246 2.3246 2.3655 2.3655 2.5009 2.5009 2.5758 2.5758 3.7777 3.7777 3.8012 3.8012 7.2492 7.2492 7.3141 7.3141 9.2789 9.2789 9.2980 9.2980 11.2540 11.2540 k = 0.2026 0.5623 0.4870 ( 4478 PWs) bands (ev): -19.1812 -19.1812 -19.1812 -19.1812 -13.8875 -13.8875 -13.8872 -13.8872 -4.3756 -4.3756 -4.3729 -4.3729 -3.1367 -3.1367 -3.1334 -3.1334 -2.3982 -2.3982 -2.3954 -2.3954 -1.6619 -1.6619 -1.6524 -1.6524 0.8110 0.8110 0.8596 0.8596 1.0236 1.0236 1.0697 1.0697 1.4420 1.4420 1.5543 1.5543 1.7872 1.7872 1.8895 1.8895 2.3393 2.3393 2.3722 2.3722 2.4785 2.4785 2.5587 2.5587 3.7914 3.7914 3.8147 3.8147 7.2153 7.2153 7.2801 7.2801 9.3092 9.3092 9.3256 9.3256 11.2816 11.2816 k = 0.1965 0.5453 0.4870 ( 4474 PWs) bands (ev): -19.1817 -19.1817 -19.1817 -19.1817 -13.8878 -13.8878 -13.8874 -13.8874 -4.3811 -4.3811 -4.3784 -4.3784 -3.1304 -3.1304 -3.1270 -3.1270 -2.3988 -2.3988 -2.3960 -2.3960 -1.6570 -1.6570 -1.6478 -1.6478 0.8159 0.8159 0.8628 0.8628 1.0227 1.0227 1.0741 1.0741 1.4396 1.4396 1.5515 1.5515 1.7827 1.7827 1.8879 1.8879 2.3544 2.3544 2.3792 2.3792 2.4563 2.4563 2.5427 2.5427 3.8036 3.8036 3.8268 3.8268 7.1824 7.1824 7.2468 7.2468 9.3395 9.3395 9.3534 9.3534 11.3075 11.3075 k = 0.1904 0.5282 0.4870 ( 4478 PWs) bands (ev): -19.1822 -19.1822 -19.1822 -19.1822 -13.8881 -13.8881 -13.8877 -13.8877 -4.3866 -4.3866 -4.3840 -4.3840 -3.1233 -3.1233 -3.1197 -3.1197 -2.3995 -2.3995 -2.3967 -2.3967 -1.6525 -1.6525 -1.6436 -1.6436 0.8210 0.8210 0.8664 0.8664 1.0221 1.0221 1.0788 1.0788 1.4371 1.4371 1.5482 1.5482 1.7775 1.7775 1.8864 1.8864 2.3692 2.3692 2.3857 2.3857 2.4350 2.4350 2.5287 2.5287 3.8142 3.8142 3.8375 3.8375 7.1504 7.1504 7.2144 7.2144 9.3701 9.3701 9.3816 9.3816 11.3303 11.3303 k = 0.1842 0.5112 0.4870 ( 4468 PWs) bands (ev): -19.1828 -19.1828 -19.1828 -19.1828 -13.8884 -13.8884 -13.8881 -13.8881 -4.3923 -4.3923 -4.3898 -4.3898 -3.1154 -3.1154 -3.1116 -3.1116 -2.4004 -2.4004 -2.3975 -2.3975 -1.6484 -1.6484 -1.6398 -1.6398 0.8264 0.8264 0.8703 0.8703 1.0219 1.0219 1.0837 1.0837 1.4346 1.4346 1.5447 1.5447 1.7718 1.7718 1.8851 1.8851 2.3796 2.3796 2.3904 2.3904 2.4190 2.4190 2.5178 2.5178 3.8234 3.8234 3.8467 3.8467 7.1193 7.1193 7.1826 7.1826 9.4011 9.4011 9.4102 9.4102 11.3490 11.3490 k = 0.1781 0.4941 0.4870 ( 4464 PWs) bands (ev): -19.1834 -19.1834 -19.1834 -19.1834 -13.8888 -13.8888 -13.8885 -13.8885 -4.3981 -4.3981 -4.3956 -4.3956 -3.1067 -3.1067 -3.1029 -3.1029 -2.4013 -2.4013 -2.3983 -2.3983 -1.6447 -1.6447 -1.6365 -1.6365 0.8321 0.8321 0.8744 0.8744 1.0220 1.0220 1.0888 1.0888 1.4321 1.4321 1.5409 1.5409 1.7655 1.7655 1.8841 1.8841 2.3725 2.3725 2.3918 2.3918 2.4211 2.4211 2.5118 2.5118 3.8310 3.8310 3.8543 3.8543 7.0891 7.0891 7.1517 7.1517 9.4325 9.4325 9.4394 9.4394 11.3625 11.3625 k = 0.1719 0.4771 0.4870 ( 4466 PWs) bands (ev): -19.1840 -19.1840 -19.1840 -19.1840 -13.8892 -13.8892 -13.8889 -13.8889 -4.4039 -4.4039 -4.4015 -4.4015 -3.0974 -3.0974 -3.0934 -3.0934 -2.4023 -2.4023 -2.3993 -2.3993 -1.6414 -1.6414 -1.6335 -1.6335 0.8380 0.8380 0.8788 0.8788 1.0225 1.0225 1.0940 1.0940 1.4297 1.4297 1.5367 1.5367 1.7587 1.7587 1.8831 1.8831 2.3529 2.3529 2.3884 2.3884 2.4367 2.4367 2.5120 2.5120 3.8369 3.8369 3.8604 3.8604 7.0598 7.0598 7.1214 7.1214 9.4644 9.4644 9.4693 9.4693 11.3704 11.3704 k = 0.1658 0.4601 0.4870 ( 4454 PWs) bands (ev): -19.1847 -19.1847 -19.1847 -19.1847 -13.8897 -13.8897 -13.8894 -13.8894 -4.4097 -4.4097 -4.4074 -4.4074 -3.0875 -3.0875 -3.0834 -3.0834 -2.4034 -2.4034 -2.4003 -2.4003 -1.6384 -1.6384 -1.6308 -1.6308 0.8440 0.8440 0.8835 0.8835 1.0234 1.0234 1.0992 1.0992 1.4275 1.4275 1.5323 1.5323 1.7514 1.7514 1.8823 1.8823 2.3304 2.3304 2.3803 2.3803 2.4561 2.4561 2.5186 2.5186 3.8412 3.8412 3.8648 3.8648 7.0314 7.0314 7.0919 7.0919 9.4971 9.4971 9.4999 9.4999 11.3726 11.3726 k = 0.1597 0.4430 0.4870 ( 4466 PWs) bands (ev): -19.1854 -19.1854 -19.1854 -19.1854 -13.8902 -13.8902 -13.8899 -13.8899 -4.4156 -4.4156 -4.4134 -4.4134 -3.0770 -3.0770 -3.0728 -3.0728 -2.4045 -2.4045 -2.4014 -2.4014 -1.6358 -1.6358 -1.6286 -1.6286 0.8501 0.8501 0.8883 0.8883 1.0246 1.0246 1.1043 1.1043 1.4254 1.4254 1.5276 1.5276 1.7437 1.7437 1.8815 1.8815 2.3071 2.3071 2.3683 2.3683 2.4774 2.4774 2.5305 2.5305 3.8437 3.8437 3.8676 3.8676 7.0038 7.0038 7.0630 7.0630 9.5304 9.5304 9.5314 9.5314 11.3693 11.3694 k = 0.1535 0.4260 0.4870 ( 4470 PWs) bands (ev): -19.1861 -19.1861 -19.1861 -19.1861 -13.8908 -13.8908 -13.8905 -13.8905 -4.4215 -4.4215 -4.4194 -4.4194 -3.0660 -3.0660 -3.0617 -3.0617 -2.4057 -2.4057 -2.4026 -2.4026 -1.6336 -1.6336 -1.6266 -1.6266 0.8562 0.8562 0.8933 0.8933 1.0261 1.0261 1.1093 1.1093 1.4235 1.4235 1.5227 1.5227 1.7357 1.7357 1.8808 1.8808 2.2836 2.2836 2.3539 2.3539 2.4999 2.4999 2.5463 2.5463 3.8447 3.8447 3.8688 3.8688 6.9770 6.9770 7.0348 7.0348 9.5638 9.5638 9.5644 9.5644 11.3613 11.3613 k = 0.1474 0.4089 0.4870 ( 4470 PWs) bands (ev): -19.1869 -19.1869 -19.1869 -19.1869 -13.8914 -13.8914 -13.8911 -13.8911 -4.4274 -4.4274 -4.4253 -4.4253 -3.0546 -3.0546 -3.0503 -3.0503 -2.4069 -2.4069 -2.4038 -2.4038 -1.6316 -1.6316 -1.6250 -1.6250 0.8625 0.8625 0.8984 0.8984 1.0280 1.0280 1.1140 1.1140 1.4220 1.4220 1.5177 1.5177 1.7276 1.7276 1.8802 1.8802 2.2601 2.2601 2.3381 2.3381 2.5237 2.5237 2.5652 2.5652 3.8440 3.8440 3.8683 3.8683 6.9511 6.9511 7.0074 7.0074 9.5971 9.5971 9.5993 9.5993 11.3489 11.3490 k = 0.1412 0.3919 0.4870 ( 4462 PWs) bands (ev): -19.1876 -19.1876 -19.1876 -19.1876 -13.8920 -13.8920 -13.8917 -13.8917 -4.4332 -4.4332 -4.4312 -4.4312 -3.0429 -3.0429 -3.0385 -3.0385 -2.4081 -2.4081 -2.4050 -2.4050 -1.6299 -1.6299 -1.6237 -1.6237 0.8688 0.8688 0.9038 0.9038 1.0301 1.0301 1.1183 1.1183 1.4209 1.4209 1.5126 1.5126 1.7194 1.7194 1.8795 1.8795 2.2368 2.2368 2.3214 2.3214 2.5485 2.5485 2.5864 2.5864 3.8417 3.8417 3.8663 3.8663 6.9260 6.9260 6.9806 6.9806 9.6314 9.6314 9.6349 9.6349 11.3330 11.3330 k = 0.1351 0.3749 0.4870 ( 4462 PWs) bands (ev): -19.1884 -19.1884 -19.1884 -19.1884 -13.8926 -13.8926 -13.8923 -13.8923 -4.4390 -4.4390 -4.4371 -4.4371 -3.0309 -3.0309 -3.0264 -3.0264 -2.4094 -2.4094 -2.4063 -2.4063 -1.6285 -1.6285 -1.6226 -1.6226 0.8750 0.8750 0.9092 0.9092 1.0325 1.0325 1.1221 1.1221 1.4202 1.4202 1.5075 1.5075 1.7112 1.7112 1.8789 1.8789 2.2137 2.2137 2.3043 2.3043 2.5743 2.5743 2.6094 2.6094 3.8378 3.8378 3.8626 3.8626 6.9017 6.9017 6.9545 6.9545 9.6666 9.6666 9.6713 9.6713 11.3139 11.3140 k = 0.1290 0.3578 0.4870 ( 4462 PWs) bands (ev): -19.1892 -19.1892 -19.1892 -19.1892 -13.8932 -13.8932 -13.8930 -13.8930 -4.4447 -4.4447 -4.4429 -4.4429 -3.0187 -3.0187 -3.0142 -3.0142 -2.4107 -2.4107 -2.4075 -2.4075 -1.6274 -1.6274 -1.6218 -1.6218 0.8813 0.8813 0.9149 0.9149 1.0350 1.0350 1.1252 1.1252 1.4201 1.4201 1.5023 1.5023 1.7031 1.7031 1.8782 1.8782 2.1909 2.1909 2.2869 2.2869 2.6010 2.6010 2.6340 2.6340 3.8322 3.8322 3.8573 3.8573 6.8782 6.8782 6.9292 6.9292 9.7026 9.7026 9.7085 9.7085 11.2923 11.2924 k = 0.1228 0.3408 0.4870 ( 4462 PWs) bands (ev): -19.1900 -19.1900 -19.1899 -19.1899 -13.8939 -13.8939 -13.8936 -13.8936 -4.4503 -4.4503 -4.4485 -4.4485 -3.0064 -3.0064 -3.0019 -3.0019 -2.4119 -2.4119 -2.4088 -2.4088 -1.6265 -1.6265 -1.6212 -1.6212 0.8876 0.8876 0.9206 0.9206 1.0377 1.0377 1.1275 1.1275 1.4205 1.4205 1.4972 1.4972 1.6953 1.6953 1.8774 1.8774 2.1686 2.1686 2.2696 2.2696 2.6286 2.6286 2.6600 2.6600 3.8252 3.8252 3.8504 3.8504 6.8556 6.8556 6.9046 6.9046 9.7395 9.7395 9.7463 9.7463 11.2687 11.2687 k = 0.1167 0.3237 0.4870 ( 4460 PWs) bands (ev): -19.1907 -19.1907 -19.1907 -19.1907 -13.8945 -13.8945 -13.8943 -13.8943 -4.4557 -4.4557 -4.4541 -4.4541 -2.9940 -2.9940 -2.9895 -2.9895 -2.4132 -2.4132 -2.4100 -2.4100 -1.6258 -1.6258 -1.6209 -1.6209 0.8939 0.8939 0.9265 0.9265 1.0404 1.0404 1.1290 1.1290 1.4215 1.4215 1.4922 1.4922 1.6879 1.6879 1.8765 1.8765 2.1469 2.1469 2.2524 2.2524 2.6571 2.6571 2.6871 2.6871 3.8166 3.8166 3.8419 3.8419 6.8338 6.8338 6.8808 6.8808 9.7771 9.7771 9.7848 9.7848 11.2433 11.2433 k = 0.1105 0.3067 0.4870 ( 4456 PWs) bands (ev): -19.1915 -19.1915 -19.1915 -19.1915 -13.8952 -13.8952 -13.8950 -13.8950 -4.4610 -4.4610 -4.4595 -4.4595 -2.9817 -2.9817 -2.9772 -2.9772 -2.4144 -2.4144 -2.4113 -2.4113 -1.6253 -1.6253 -1.6207 -1.6207 0.9002 0.9002 0.9324 0.9324 1.0431 1.0431 1.1296 1.1296 1.4231 1.4231 1.4874 1.4874 1.6809 1.6809 1.8755 1.8755 2.1258 2.1258 2.2354 2.2354 2.6863 2.6863 2.7153 2.7153 3.8065 3.8065 3.8320 3.8320 6.8129 6.8129 6.8577 6.8577 9.8153 9.8153 9.8238 9.8238 11.2165 11.2166 k = 0.1044 0.2897 0.4870 ( 4452 PWs) bands (ev): -19.1922 -19.1922 -19.1922 -19.1922 -13.8958 -13.8958 -13.8956 -13.8956 -4.4662 -4.4662 -4.4647 -4.4647 -2.9695 -2.9695 -2.9651 -2.9651 -2.4156 -2.4156 -2.4125 -2.4125 -1.6250 -1.6250 -1.6207 -1.6207 0.9065 0.9065 0.9385 0.9385 1.0458 1.0458 1.1292 1.1292 1.4252 1.4252 1.4827 1.4827 1.6745 1.6745 1.8742 1.8742 2.1055 2.1055 2.2187 2.2187 2.7162 2.7162 2.7443 2.7443 3.7950 3.7950 3.8206 3.8206 6.7929 6.7929 6.8355 6.8355 9.8541 9.8541 9.8632 9.8632 11.1887 11.1887 k = 0.0982 0.2726 0.4870 ( 4454 PWs) bands (ev): -19.1930 -19.1930 -19.1930 -19.1930 -13.8965 -13.8965 -13.8963 -13.8963 -4.4712 -4.4712 -4.4697 -4.4697 -2.9575 -2.9575 -2.9531 -2.9531 -2.4167 -2.4167 -2.4136 -2.4136 -1.6248 -1.6248 -1.6208 -1.6208 0.9127 0.9127 0.9447 0.9447 1.0484 1.0484 1.1278 1.1278 1.4278 1.4278 1.4782 1.4782 1.6687 1.6687 1.8725 1.8725 2.0862 2.0862 2.2022 2.2022 2.7466 2.7466 2.7740 2.7740 3.7822 3.7822 3.8078 3.8078 6.7739 6.7739 6.8142 6.8142 9.8933 9.8933 9.9029 9.9029 11.1601 11.1601 k = 0.0921 0.2556 0.4870 ( 4458 PWs) bands (ev): -19.1937 -19.1937 -19.1937 -19.1937 -13.8971 -13.8971 -13.8969 -13.8969 -4.4759 -4.4759 -4.4746 -4.4746 -2.9458 -2.9458 -2.9415 -2.9415 -2.4178 -2.4178 -2.4148 -2.4148 -1.6247 -1.6247 -1.6210 -1.6210 0.9191 0.9191 0.9509 0.9509 1.0507 1.0507 1.1255 1.1255 1.4308 1.4308 1.4740 1.4740 1.6638 1.6638 1.8703 1.8703 2.0680 2.0680 2.1862 2.1862 2.7776 2.7776 2.8043 2.8043 3.7680 3.7680 3.7936 3.7936 6.7558 6.7558 6.7938 6.7938 9.9327 9.9327 9.9427 9.9427 11.1309 11.1309 k = 0.0860 0.2385 0.4870 ( 4450 PWs) bands (ev): -19.1944 -19.1944 -19.1944 -19.1944 -13.8977 -13.8977 -13.8975 -13.8975 -4.4805 -4.4805 -4.4792 -4.4792 -2.9344 -2.9344 -2.9302 -2.9302 -2.4188 -2.4188 -2.4159 -2.4159 -1.6248 -1.6248 -1.6213 -1.6213 0.9254 0.9254 0.9572 0.9572 1.0529 1.0529 1.1223 1.1223 1.4341 1.4341 1.4700 1.4700 1.6598 1.6598 1.8675 1.8675 2.0512 2.0512 2.1705 2.1705 2.8089 2.8089 2.8351 2.8351 3.7527 3.7527 3.7782 3.7782 6.7387 6.7387 6.7743 6.7743 9.9722 9.9722 9.9825 9.9825 11.1013 11.1013 k = 0.0798 0.2215 0.4870 ( 4450 PWs) bands (ev): -19.1950 -19.1950 -19.1950 -19.1950 -13.8983 -13.8983 -13.8981 -13.8981 -4.4848 -4.4848 -4.4836 -4.4836 -2.9234 -2.9234 -2.9194 -2.9194 -2.4197 -2.4197 -2.4169 -2.4169 -1.6249 -1.6249 -1.6218 -1.6218 0.9319 0.9319 0.9634 0.9634 1.0547 1.0547 1.1182 1.1182 1.4375 1.4375 1.4664 1.4664 1.6568 1.6568 1.8639 1.8639 2.0359 2.0359 2.1553 2.1553 2.8405 2.8405 2.8661 2.8661 3.7362 3.7362 3.7616 3.7616 6.7227 6.7227 6.7559 6.7559 10.0116 10.0116 10.0220 10.0220 11.0716 11.0716 k = 0.0737 0.2045 0.4870 ( 4454 PWs) bands (ev): -19.1957 -19.1957 -19.1956 -19.1956 -13.8989 -13.8989 -13.8987 -13.8987 -4.4888 -4.4888 -4.4878 -4.4878 -2.9129 -2.9129 -2.9091 -2.9091 -2.4206 -2.4206 -2.4179 -2.4179 -1.6251 -1.6251 -1.6222 -1.6222 0.9383 0.9383 0.9697 0.9697 1.0562 1.0562 1.1134 1.1134 1.4409 1.4409 1.4632 1.4632 1.6549 1.6549 1.8591 1.8591 2.0225 2.0225 2.1406 2.1406 2.8722 2.8722 2.8973 2.8973 3.7188 3.7188 3.7440 3.7440 6.7077 6.7077 6.7384 6.7384 10.0507 10.0507 10.0612 10.0612 11.0419 11.0419 k = 0.0675 0.1874 0.4870 ( 4442 PWs) bands (ev): -19.1963 -19.1963 -19.1962 -19.1962 -13.8994 -13.8994 -13.8992 -13.8992 -4.4926 -4.4926 -4.4916 -4.4916 -2.9030 -2.9030 -2.8993 -2.8993 -2.4214 -2.4214 -2.4188 -2.4188 -1.6253 -1.6253 -1.6227 -1.6227 0.9449 0.9449 0.9760 0.9760 1.0574 1.0574 1.1080 1.1080 1.4441 1.4441 1.4603 1.4603 1.6543 1.6543 1.8531 1.8531 2.0112 2.0112 2.1264 2.1264 2.9038 2.9038 2.9284 2.9284 3.7005 3.7005 3.7254 3.7254 6.6939 6.6939 6.7221 6.7221 10.0893 10.0893 10.0998 10.0998 11.0125 11.0125 k = 0.0614 0.1704 0.4870 ( 4442 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.8999 -13.8999 -13.8997 -13.8997 -4.4961 -4.4961 -4.4952 -4.4952 -2.8936 -2.8936 -2.8902 -2.8902 -2.4221 -2.4221 -2.4197 -2.4197 -1.6256 -1.6256 -1.6233 -1.6233 0.9515 0.9515 0.9822 0.9822 1.0581 1.0581 1.1020 1.1020 1.4469 1.4469 1.4579 1.4579 1.6549 1.6549 1.8457 1.8457 2.0021 2.0021 2.1128 2.1128 2.9352 2.9352 2.9592 2.9592 3.6816 3.6816 3.7060 3.7060 6.6812 6.6812 6.7069 6.7069 10.1272 10.1272 10.1375 10.1375 10.9834 10.9834 k = 0.0553 0.1534 0.4870 ( 4446 PWs) bands (ev): -19.1973 -19.1973 -19.1973 -19.1973 -13.9004 -13.9004 -13.9002 -13.9002 -4.4993 -4.4993 -4.4985 -4.4985 -2.8850 -2.8850 -2.8818 -2.8818 -2.4227 -2.4227 -2.4204 -2.4204 -1.6259 -1.6259 -1.6238 -1.6238 0.9582 0.9582 0.9883 0.9883 1.0584 1.0584 1.0955 1.0955 1.4493 1.4493 1.4558 1.4558 1.6569 1.6569 1.8369 1.8369 1.9954 1.9954 2.0997 2.0997 2.9662 2.9662 2.9895 2.9895 3.6622 3.6622 3.6859 3.6859 6.6697 6.6697 6.6929 6.6929 10.1641 10.1641 10.1742 10.1742 10.9550 10.9550 k = 0.0491 0.1363 0.4870 ( 4438 PWs) bands (ev): -19.1978 -19.1978 -19.1978 -19.1978 -13.9008 -13.9008 -13.9007 -13.9007 -4.5022 -4.5022 -4.5015 -4.5015 -2.8771 -2.8771 -2.8742 -2.8742 -2.4232 -2.4232 -2.4212 -2.4212 -1.6262 -1.6262 -1.6243 -1.6243 0.9650 0.9650 0.9943 0.9943 1.0582 1.0582 1.0887 1.0887 1.4513 1.4513 1.4541 1.4541 1.6602 1.6602 1.8268 1.8268 1.9908 1.9908 2.0872 2.0872 2.9965 2.9965 3.0189 3.0189 3.6426 3.6426 3.6655 3.6655 6.6594 6.6594 6.6801 6.6801 10.1996 10.1996 10.2093 10.2093 10.9275 10.9275 k = 0.0430 0.1193 0.4870 ( 4440 PWs) bands (ev): -19.1982 -19.1982 -19.1982 -19.1982 -13.9011 -13.9011 -13.9010 -13.9010 -4.5048 -4.5048 -4.5042 -4.5042 -2.8699 -2.8699 -2.8674 -2.8674 -2.4237 -2.4237 -2.4218 -2.4218 -1.6264 -1.6264 -1.6248 -1.6248 0.9718 0.9718 1.0001 1.0001 1.0576 1.0576 1.0817 1.0817 1.4527 1.4527 1.4528 1.4528 1.6649 1.6649 1.8156 1.8156 1.9883 1.9883 2.0753 2.0753 3.0258 3.0258 3.0471 3.0471 3.6231 3.6231 3.6450 3.6450 6.6505 6.6505 6.6686 6.6686 10.2335 10.2335 10.2427 10.2427 10.9010 10.9010 k = 0.0368 0.1022 0.4870 ( 4446 PWs) bands (ev): -19.1986 -19.1986 -19.1986 -19.1986 -13.9015 -13.9015 -13.9014 -13.9014 -4.5071 -4.5071 -4.5065 -4.5065 -2.8636 -2.8636 -2.8614 -2.8614 -2.4240 -2.4240 -2.4224 -2.4224 -1.6267 -1.6267 -1.6253 -1.6253 0.9787 0.9787 1.0056 1.0056 1.0566 1.0566 1.0744 1.0744 1.4518 1.4518 1.4536 1.4536 1.6708 1.6708 1.8036 1.8036 1.9876 1.9876 2.0639 2.0639 3.0537 3.0537 3.0736 3.0736 3.6042 3.6042 3.6247 3.6247 6.6428 6.6428 6.6583 6.6583 10.2653 10.2653 10.2739 10.2739 10.8761 10.8761 k = 0.0307 0.0852 0.4870 ( 4438 PWs) bands (ev): -19.1989 -19.1989 -19.1989 -19.1989 -13.9018 -13.9018 -13.9017 -13.9017 -4.5090 -4.5090 -4.5085 -4.5085 -2.8582 -2.8582 -2.8563 -2.8563 -2.4243 -2.4243 -2.4229 -2.4229 -1.6269 -1.6269 -1.6258 -1.6258 0.9857 0.9857 1.0108 1.0108 1.0551 1.0551 1.0673 1.0673 1.4513 1.4513 1.4541 1.4541 1.6780 1.6780 1.7912 1.7912 1.9885 1.9885 2.0533 2.0533 3.0798 3.0798 3.0979 3.0979 3.5865 3.5865 3.6051 3.6051 6.6364 6.6364 6.6494 6.6494 10.2945 10.2945 10.3022 10.3022 10.8532 10.8532 k = 0.0246 0.0682 0.4870 ( 4438 PWs) bands (ev): -19.1991 -19.1991 -19.1991 -19.1991 -13.9020 -13.9020 -13.9019 -13.9019 -4.5105 -4.5105 -4.5102 -4.5102 -2.8537 -2.8537 -2.8521 -2.8521 -2.4245 -2.4245 -2.4234 -2.4234 -1.6271 -1.6271 -1.6262 -1.6262 0.9928 0.9928 1.0155 1.0155 1.0533 1.0533 1.0602 1.0602 1.4510 1.4510 1.4542 1.4542 1.6863 1.6863 1.7784 1.7784 1.9907 1.9907 2.0433 2.0433 3.1034 3.1034 3.1192 3.1192 3.5706 3.5706 3.5868 3.5868 6.6314 6.6314 6.6418 6.6418 10.3204 10.3204 10.3270 10.3270 10.8329 10.8329 k = 0.0184 0.0511 0.4870 ( 4440 PWs) bands (ev): -19.1993 -19.1993 -19.1993 -19.1993 -13.9022 -13.9022 -13.9021 -13.9021 -4.5117 -4.5117 -4.5115 -4.5115 -2.8501 -2.8501 -2.8489 -2.8489 -2.4246 -2.4246 -2.4238 -2.4238 -1.6272 -1.6272 -1.6265 -1.6265 0.9997 0.9997 1.0194 1.0194 1.0511 1.0511 1.0537 1.0537 1.4510 1.4510 1.4540 1.4540 1.6956 1.6956 1.7655 1.7655 1.9941 1.9941 2.0339 2.0339 3.1238 3.1238 3.1366 3.1366 3.5574 3.5574 3.5705 3.5705 6.6278 6.6278 6.6356 6.6356 10.3422 10.3422 10.3476 10.3476 10.8158 10.8158 k = 0.0123 0.0341 0.4870 ( 4436 PWs) bands (ev): -19.1995 -19.1995 -19.1995 -19.1995 -13.9023 -13.9023 -13.9023 -13.9023 -4.5126 -4.5126 -4.5124 -4.5124 -2.8474 -2.8474 -2.8466 -2.8466 -2.4247 -2.4247 -2.4241 -2.4241 -1.6272 -1.6272 -1.6268 -1.6268 1.0066 1.0066 1.0219 1.0219 1.0483 1.0483 1.0488 1.0488 1.4513 1.4513 1.4535 1.4535 1.7058 1.7058 1.7528 1.7528 1.9986 1.9986 2.0253 2.0253 3.1401 3.1401 3.1492 3.1492 3.5478 3.5478 3.5571 3.5571 6.6256 6.6256 6.6308 6.6308 10.3591 10.3591 10.3629 10.3629 10.8030 10.8030 k = 0.0061 0.0170 0.4870 ( 4436 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9024 -13.9024 -13.9024 -13.9024 -4.5131 -4.5131 -4.5130 -4.5130 -2.8458 -2.8458 -2.8454 -2.8454 -2.4246 -2.4246 -2.4243 -2.4243 -1.6272 -1.6272 -1.6270 -1.6270 1.0130 1.0130 1.0218 1.0218 1.0452 1.0452 1.0465 1.0465 1.4518 1.4518 1.4530 1.4530 1.7167 1.7167 1.7403 1.7403 2.0040 2.0040 2.0174 2.0174 3.1515 3.1515 3.1562 3.1562 3.5427 3.5427 3.5476 3.5476 6.6248 6.6248 6.6274 6.6274 10.3702 10.3702 10.3721 10.3721 10.7951 10.7951 k = 0.0000 0.0000 0.4870 ( 4440 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9024 -13.9024 -13.9024 -13.9024 -4.5132 -4.5132 -4.5132 -4.5132 -2.8451 -2.8451 -2.8451 -2.8451 -2.4245 -2.4245 -2.4245 -2.4245 -1.6271 -1.6271 -1.6271 -1.6271 1.0184 1.0184 1.0184 1.0184 1.0449 1.0449 1.0449 1.0449 1.4523 1.4523 1.4523 1.4523 1.7283 1.7283 1.7283 1.7283 2.0103 2.0103 2.0103 2.0103 3.1570 3.1570 3.1570 3.1570 3.5426 3.5426 3.5426 3.5426 6.6254 6.6254 6.6254 6.6254 10.3746 10.3746 10.3746 10.3746 10.7929 10.7929 k = 0.0000 0.0000 0.4870 ( 4440 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9024 -13.9024 -13.9024 -13.9024 -4.5132 -4.5132 -4.5132 -4.5132 -2.8451 -2.8451 -2.8451 -2.8451 -2.4245 -2.4245 -2.4245 -2.4245 -1.6271 -1.6271 -1.6271 -1.6271 1.0184 1.0184 1.0184 1.0184 1.0449 1.0449 1.0449 1.0449 1.4523 1.4523 1.4523 1.4523 1.7283 1.7283 1.7283 1.7283 2.0103 2.0103 2.0103 2.0103 3.1570 3.1570 3.1570 3.1570 3.5426 3.5426 3.5426 3.5426 6.6254 6.6254 6.6254 6.6254 10.3746 10.3746 10.3746 10.3746 10.7929 10.7929 k = 0.0000 0.0000 0.4689 ( 4436 PWs) bands (ev): -19.2019 -19.2019 -19.1973 -19.1973 -13.9026 -13.9026 -13.9021 -13.9021 -4.5266 -4.5266 -4.4999 -4.4999 -2.8721 -2.8721 -2.8179 -2.8179 -2.4354 -2.4354 -2.4136 -2.4136 -1.6752 -1.6752 -1.5776 -1.5776 0.9952 0.9952 1.0335 1.0335 1.0448 1.0448 1.0478 1.0478 1.4367 1.4367 1.4728 1.4728 1.7248 1.7248 1.7322 1.7322 2.0075 2.0075 2.0133 2.0133 3.1315 3.1315 3.1817 3.1817 3.5086 3.5086 3.5755 3.5755 6.5752 6.5752 6.6805 6.6805 10.3576 10.3576 10.3917 10.3917 10.7539 10.7539 k = 0.0000 0.0000 0.4509 ( 4444 PWs) bands (ev): -19.2041 -19.2041 -19.1951 -19.1951 -13.9029 -13.9029 -13.9019 -13.9019 -4.5398 -4.5398 -4.4866 -4.4866 -2.8991 -2.8991 -2.7909 -2.7909 -2.4462 -2.4462 -2.4026 -2.4026 -1.7218 -1.7218 -1.5268 -1.5268 0.9705 0.9705 1.0269 1.0269 1.0414 1.0414 1.0663 1.0663 1.4270 1.4270 1.4968 1.4968 1.7218 1.7218 1.7367 1.7367 2.0047 2.0047 2.0163 2.0163 3.1053 3.1053 3.2055 3.2055 3.4738 3.4738 3.6070 3.6070 6.5304 6.5304 6.7401 6.7401 10.3407 10.3407 10.4089 10.4089 10.7086 10.7086 k = 0.0000 0.0000 0.4329 ( 4448 PWs) bands (ev): -19.2064 -19.2064 -19.1928 -19.1928 -13.9031 -13.9031 -13.9016 -13.9016 -4.5530 -4.5530 -4.4733 -4.4733 -2.9258 -2.9258 -2.7641 -2.7641 -2.4569 -2.4569 -2.3917 -2.3917 -1.7667 -1.7667 -1.4747 -1.4747 0.9452 0.9452 1.0126 1.0126 1.0350 1.0350 1.0860 1.0860 1.4238 1.4238 1.5231 1.5231 1.7194 1.7194 1.7417 1.7417 2.0021 2.0021 2.0194 2.0194 3.0784 3.0784 3.2285 3.2285 3.4386 3.4386 3.6369 3.6369 6.4915 6.4915 6.8039 6.8039 10.3240 10.3240 10.4259 10.4259 10.6582 10.6582 k = 0.0000 0.0000 0.4148 ( 4450 PWs) bands (ev): -19.2086 -19.2086 -19.1906 -19.1906 -13.9034 -13.9034 -13.9013 -13.9013 -4.5660 -4.5660 -4.4602 -4.4602 -2.9522 -2.9522 -2.7375 -2.7375 -2.4675 -2.4675 -2.3808 -2.3808 -1.8100 -1.8100 -1.4216 -1.4216 0.9195 0.9195 0.9935 0.9935 1.0261 1.0261 1.1044 1.1044 1.4271 1.4271 1.5502 1.5502 1.7178 1.7178 1.7475 1.7475 1.9997 1.9997 2.0227 2.0227 3.0507 3.0507 3.2503 3.2503 3.4033 3.4033 3.6649 3.6649 6.4588 6.4588 6.8713 6.8713 10.3075 10.3075 10.4429 10.4429 10.6037 10.6037 k = 0.0000 0.0000 0.3968 ( 4446 PWs) bands (ev): -19.2108 -19.2108 -19.1884 -19.1884 -13.9036 -13.9036 -13.9011 -13.9011 -4.5789 -4.5789 -4.4471 -4.4471 -2.9782 -2.9782 -2.7115 -2.7115 -2.4779 -2.4779 -2.3701 -2.3701 -1.8513 -1.8513 -1.3674 -1.3674 0.8936 0.8936 0.9705 0.9705 1.0153 1.0153 1.1210 1.1210 1.4362 1.4362 1.5768 1.5768 1.7170 1.7170 1.7542 1.7542 1.9976 1.9976 2.0261 2.0261 3.0225 3.0225 3.2704 3.2704 3.3688 3.3688 3.6908 3.6908 6.4328 6.4328 6.9420 6.9420 10.2913 10.2913 10.4597 10.4597 10.5460 10.5460 k = 0.0000 0.0000 0.3788 ( 4438 PWs) bands (ev): -19.2129 -19.2129 -19.1863 -19.1863 -13.9038 -13.9038 -13.9008 -13.9008 -4.5916 -4.5916 -4.4343 -4.4343 -3.0037 -3.0037 -2.6860 -2.6860 -2.4880 -2.4880 -2.3595 -2.3595 -1.8908 -1.8908 -1.3124 -1.3124 0.8677 0.8677 0.9447 0.9447 1.0027 1.0027 1.1360 1.1360 1.4505 1.4505 1.6014 1.6014 1.7176 1.7176 1.7623 1.7623 1.9959 1.9959 2.0298 2.0298 2.9936 2.9936 3.2858 3.2858 3.3382 3.3382 3.7142 3.7142 6.4137 6.4137 7.0157 7.0157 10.2754 10.2754 10.4756 10.4756 10.4864 10.4864 k = 0.0000 0.0000 0.3607 ( 4436 PWs) bands (ev): -19.2150 -19.2150 -19.1842 -19.1842 -13.9040 -13.9040 -13.9005 -13.9005 -4.6040 -4.6040 -4.4217 -4.4217 -3.0286 -3.0286 -2.6612 -2.6612 -2.4980 -2.4980 -2.3491 -2.3491 -1.9281 -1.9281 -1.2567 -1.2567 0.8418 0.8418 0.9170 0.9170 0.9888 0.9888 1.1493 1.1493 1.4689 1.4689 1.6227 1.6227 1.7198 1.7198 1.7720 1.7720 1.9945 1.9945 2.0339 2.0339 2.9641 2.9641 3.2799 3.2799 3.3282 3.3282 3.7351 3.7351 6.4019 6.4019 7.0919 7.0919 10.2598 10.2598 10.4230 10.4230 10.4929 10.4929 k = 0.0000 0.0000 0.3427 ( 4428 PWs) bands (ev): -19.2171 -19.2171 -19.1821 -19.1821 -13.9042 -13.9042 -13.9003 -13.9003 -4.6161 -4.6161 -4.4093 -4.4093 -3.0528 -3.0528 -2.6374 -2.6374 -2.5076 -2.5076 -2.3389 -2.3389 -1.9633 -1.9633 -1.2004 -1.2004 0.8159 0.8159 0.8883 0.8883 0.9736 0.9736 1.1612 1.1612 1.4904 1.4904 1.6394 1.6394 1.7239 1.7239 1.7839 1.7839 1.9935 1.9935 2.0386 2.0386 2.9340 2.9340 3.2511 3.2511 3.3408 3.3408 3.7534 3.7534 6.3977 6.3977 7.1704 7.1704 10.2445 10.2445 10.3592 10.3592 10.5087 10.5087 k = 0.0000 0.0000 0.3246 ( 4430 PWs) bands (ev): -19.2191 -19.2191 -19.1801 -19.1801 -13.9044 -13.9044 -13.9000 -13.9000 -4.6279 -4.6279 -4.3972 -4.3972 -3.0764 -3.0764 -2.6147 -2.6147 -2.5169 -2.5169 -2.3290 -2.3290 -1.9962 -1.9962 -1.1436 -1.1436 0.7899 0.7899 0.8595 0.8595 0.9574 0.9574 1.1716 1.1716 1.5140 1.5140 1.6513 1.6513 1.7295 1.7295 1.7981 1.7981 1.9928 1.9928 2.0442 2.0442 2.9034 2.9034 3.2180 3.2180 3.3573 3.3573 3.7688 3.7688 6.4010 6.4010 7.2508 7.2508 10.2293 10.2293 10.2945 10.2945 10.5238 10.5238 k = 0.0000 0.0000 0.3066 ( 4434 PWs) bands (ev): -19.2210 -19.2210 -19.1782 -19.1782 -13.9046 -13.9046 -13.8997 -13.8997 -4.6393 -4.6393 -4.3854 -4.3854 -3.0992 -3.0992 -2.5933 -2.5933 -2.5258 -2.5258 -2.3193 -2.3193 -2.0267 -2.0267 -1.0866 -1.0866 0.7638 0.7638 0.8313 0.8313 0.9402 0.9402 1.1808 1.1808 1.5387 1.5387 1.6597 1.6597 1.7358 1.7358 1.8141 1.8141 1.9926 1.9926 2.0508 2.0508 2.8722 2.8722 3.1845 3.1845 3.3740 3.3740 3.7814 3.7814 6.4120 6.4120 7.3328 7.3328 10.2110 10.2110 10.2322 10.2322 10.5275 10.5275 k = 0.0000 0.0000 0.2886 ( 4438 PWs) bands (ev): -19.2229 -19.2229 -19.1763 -19.1763 -13.9048 -13.9048 -13.8995 -13.8995 -4.6503 -4.6503 -4.3741 -4.3741 -3.1211 -3.1211 -2.5735 -2.5735 -2.5344 -2.5344 -2.3101 -2.3101 -2.0545 -2.0545 -1.0295 -1.0295 0.7375 0.7375 0.8041 0.8041 0.9221 0.9221 1.1890 1.1890 1.5631 1.5631 1.6666 1.6666 1.7422 1.7422 1.8312 1.8312 1.9928 1.9928 2.0586 2.0586 2.8405 2.8405 3.1515 3.1515 3.3902 3.3902 3.7914 3.7914 6.4305 6.4305 7.4161 7.4161 10.1574 10.1574 10.2048 10.2048 10.4418 10.4418 k = 0.0000 0.0000 0.2705 ( 4434 PWs) bands (ev): -19.2246 -19.2246 -19.1746 -19.1746 -13.9049 -13.9049 -13.8992 -13.8992 -4.6608 -4.6608 -4.3631 -4.3631 -3.1420 -3.1420 -2.5558 -2.5558 -2.5421 -2.5421 -2.3011 -2.3011 -2.0796 -2.0796 -0.9725 -0.9725 0.7111 0.7111 0.7785 0.7785 0.9033 0.9033 1.1962 1.1962 1.5854 1.5854 1.6743 1.6743 1.7481 1.7481 1.8484 1.8484 1.9933 1.9933 2.0679 2.0679 2.8083 2.8083 3.1194 3.1194 3.4057 3.4057 3.7989 3.7989 6.4563 6.4563 7.5003 7.5003 10.0901 10.0901 10.1905 10.1905 10.3395 10.3395 k = 0.0000 0.0000 0.2525 ( 4426 PWs) bands (ev): -19.2263 -19.2263 -19.1729 -19.1729 -13.9051 -13.9051 -13.8990 -13.8990 -4.6709 -4.6709 -4.3526 -4.3526 -3.1620 -3.1620 -2.5514 -2.5514 -2.5380 -2.5380 -2.2926 -2.2926 -2.1017 -2.1017 -0.9158 -0.9158 0.6845 0.6845 0.7546 0.7546 0.8839 0.8839 1.2026 1.2026 1.6033 1.6033 1.6855 1.6855 1.7536 1.7536 1.8651 1.8651 1.9943 1.9943 2.0786 2.0786 2.7758 2.7758 3.0884 3.0884 3.4203 3.4203 3.8041 3.8041 6.4891 6.4891 7.5853 7.5853 10.0209 10.0209 10.1760 10.1760 10.2334 10.2334 k = 0.0000 0.0000 0.2345 ( 4428 PWs) bands (ev): -19.2279 -19.2279 -19.1713 -19.1713 -13.9052 -13.9052 -13.8988 -13.8988 -4.6804 -4.6804 -4.3425 -4.3425 -3.1810 -3.1810 -2.5584 -2.5584 -2.5245 -2.5245 -2.2846 -2.2846 -2.1209 -2.1209 -0.8596 -0.8596 0.6581 0.6581 0.7325 0.7325 0.8639 0.8639 1.2082 1.2082 1.6151 1.6151 1.7017 1.7017 1.7586 1.7586 1.8808 1.8808 1.9960 1.9960 2.0905 2.0905 2.7428 2.7428 3.0585 3.0585 3.4340 3.4340 3.8072 3.8072 6.5283 6.5283 7.6705 7.6705 9.9497 9.9497 10.1165 10.1165 10.1707 10.1707 k = 0.0000 0.0000 0.2164 ( 4434 PWs) bands (ev): -19.2294 -19.2294 -19.1698 -19.1698 -13.9053 -13.9053 -13.8986 -13.8986 -4.6894 -4.6894 -4.3330 -4.3330 -3.1988 -3.1988 -2.5652 -2.5652 -2.5129 -2.5129 -2.2770 -2.2770 -2.1368 -2.1368 -0.8043 -0.8043 0.6319 0.6319 0.7121 0.7121 0.8436 0.8436 1.2131 1.2131 1.6213 1.6213 1.7216 1.7216 1.7636 1.7636 1.8955 1.8955 1.9985 1.9985 2.1033 2.1033 2.7095 2.7095 3.0301 3.0301 3.4467 3.4467 3.8085 3.8085 6.5735 6.5735 7.7559 7.7559 9.8751 9.8751 10.0093 10.0093 10.1576 10.1576 k = 0.0000 0.0000 0.1984 ( 4438 PWs) bands (ev): -19.2308 -19.2308 -19.1683 -19.1683 -13.9054 -13.9054 -13.8983 -13.8983 -4.6978 -4.6978 -4.3241 -4.3241 -3.2155 -3.2155 -2.5716 -2.5716 -2.5037 -2.5037 -2.2699 -2.2699 -2.1496 -2.1496 -0.7502 -0.7502 0.6064 0.6064 0.6934 0.6934 0.8232 0.8232 1.2173 1.2173 1.6240 1.6240 1.7419 1.7419 1.7698 1.7698 1.9090 1.9090 2.0026 2.0026 2.1166 2.1166 2.6759 2.6759 3.0032 3.0032 3.4586 3.4586 3.8083 3.8083 6.6239 6.6239 7.8409 7.8409 9.7938 9.7938 9.9063 9.9063 10.1470 10.1470 k = 0.0000 0.0000 0.1804 ( 4444 PWs) bands (ev): -19.2321 -19.2321 -19.1670 -19.1670 -13.9056 -13.9056 -13.8982 -13.8982 -4.7056 -4.7056 -4.3157 -4.3157 -3.2309 -3.2309 -2.5775 -2.5775 -2.4969 -2.4969 -2.2633 -2.2633 -2.1594 -2.1594 -0.6976 -0.6976 0.5818 0.5818 0.6761 0.6761 0.8029 0.8029 1.2210 1.2210 1.6246 1.6246 1.7567 1.7567 1.7810 1.7810 1.9211 1.9211 2.0089 2.0089 2.1299 2.1299 2.6420 2.6420 2.9781 2.9781 3.4694 3.4694 3.8069 3.8069 6.6785 6.6785 7.9251 7.9251 9.7023 9.7023 9.8141 9.8141 10.1374 10.1374 k = 0.0000 0.0000 0.1623 ( 4440 PWs) bands (ev): -19.2333 -19.2333 -19.1659 -19.1659 -13.9056 -13.9056 -13.8980 -13.8980 -4.7128 -4.7128 -4.3080 -4.3080 -3.2451 -3.2451 -2.5830 -2.5830 -2.4924 -2.4924 -2.2573 -2.2573 -2.1663 -2.1663 -0.6469 -0.6469 0.5582 0.5582 0.6604 0.6604 0.7830 0.7830 1.2241 1.2241 1.6241 1.6241 1.7637 1.7637 1.7983 1.7983 1.9315 1.9315 2.0185 2.0185 2.1429 2.1429 2.6079 2.6079 2.9548 2.9548 3.4792 3.4792 3.8047 3.8047 6.7365 6.7365 8.0083 8.0083 9.6017 9.6017 9.7335 9.7335 10.1288 10.1288 k = 0.0000 0.0000 0.1443 ( 4452 PWs) bands (ev): -19.2344 -19.2344 -19.1648 -19.1648 -13.9057 -13.9057 -13.8978 -13.8978 -4.7193 -4.7193 -4.3010 -4.3010 -3.2579 -3.2579 -2.5879 -2.5879 -2.4898 -2.4898 -2.2519 -2.2519 -2.1708 -2.1708 -0.5987 -0.5987 0.5358 0.5358 0.6459 0.6459 0.7640 0.7640 1.2267 1.2267 1.6230 1.6230 1.7670 1.7670 1.8163 1.8163 1.9398 1.9398 2.0322 2.0322 2.1551 2.1551 2.5737 2.5737 2.9335 2.9335 3.4881 3.4881 3.8019 3.8019 6.7966 6.7966 8.0896 8.0896 9.4978 9.4978 9.6605 9.6605 10.1210 10.1210 k = 0.0000 0.0000 0.1263 ( 4446 PWs) bands (ev): -19.2354 -19.2354 -19.1638 -19.1638 -13.9058 -13.9058 -13.8977 -13.8977 -4.7250 -4.7250 -4.2947 -4.2947 -3.2693 -3.2693 -2.5922 -2.5922 -2.4888 -2.4888 -2.2470 -2.2470 -2.1732 -2.1732 -0.5534 -0.5534 0.5150 0.5150 0.6329 0.6329 0.7462 0.7462 1.2290 1.2290 1.6216 1.6216 1.7692 1.7692 1.8327 1.8327 1.9459 1.9459 2.0504 2.0504 2.1663 2.1663 2.5396 2.5396 2.9144 2.9144 3.4959 3.4959 3.7989 3.7989 6.8573 6.8573 8.1685 8.1685 9.3955 9.3955 9.5924 9.5924 10.1141 10.1141 k = 0.0000 0.0000 0.1082 ( 4450 PWs) bands (ev): -19.2362 -19.2362 -19.1630 -19.1630 -13.9059 -13.9059 -13.8976 -13.8976 -4.7301 -4.7301 -4.2892 -4.2892 -3.2793 -3.2793 -2.5960 -2.5960 -2.4890 -2.4890 -2.2428 -2.2428 -2.1741 -2.1741 -0.5117 -0.5117 0.4956 0.4956 0.6211 0.6211 0.7299 0.7299 1.2308 1.2308 1.6201 1.6201 1.7707 1.7707 1.8465 1.8465 1.9502 1.9502 2.0723 2.0723 2.1763 2.1763 2.5056 2.5056 2.8975 2.8975 3.5027 3.5027 3.7957 3.7957 6.9170 6.9170 8.2440 8.2440 9.2984 9.2984 9.5280 9.5280 10.1080 10.1080 k = 0.0000 0.0000 0.0902 ( 4446 PWs) bands (ev): -19.2369 -19.2369 -19.1623 -19.1623 -13.9059 -13.9059 -13.8975 -13.8975 -4.7344 -4.7344 -4.2845 -4.2845 -3.2879 -3.2879 -2.5993 -2.5993 -2.4900 -2.4900 -2.2391 -2.2391 -2.1741 -2.1741 -0.4743 -0.4743 0.4782 0.4782 0.6108 0.6108 0.7156 0.7156 1.2324 1.2324 1.6187 1.6187 1.7718 1.7718 1.8577 1.8577 1.9532 1.9532 2.0972 2.0972 2.1849 2.1849 2.4721 2.4721 2.8830 2.8830 3.5084 3.5084 3.7927 3.7927 6.9738 6.9738 8.3149 8.3149 9.2093 9.2093 9.4675 9.4675 10.1029 10.1029 k = 0.0000 0.0000 0.0721 ( 4446 PWs) bands (ev): -19.2375 -19.2375 -19.1617 -19.1617 -13.9060 -13.9060 -13.8974 -13.8974 -4.7379 -4.7379 -4.2806 -4.2806 -3.2949 -3.2949 -2.6019 -2.6019 -2.4913 -2.4913 -2.2361 -2.2361 -2.1734 -2.1734 -0.4420 -0.4420 0.4630 0.4630 0.6019 0.6019 0.7036 0.7036 1.2335 1.2335 1.6174 1.6174 1.7725 1.7725 1.8664 1.8664 1.9554 1.9554 2.1237 2.1237 2.1921 2.1921 2.4395 2.4395 2.8710 2.8710 3.5131 3.5131 3.7900 3.7900 7.0254 7.0254 8.3794 8.3794 9.1308 9.1308 9.4123 9.4123 10.0987 10.0987 k = 0.0000 0.0000 0.0541 ( 4449 PWs) bands (ev): -19.2380 -19.2380 -19.1612 -19.1612 -13.9060 -13.9060 -13.8973 -13.8973 -4.7407 -4.7407 -4.2775 -4.2775 -3.3005 -3.3005 -2.6040 -2.6040 -2.4926 -2.4926 -2.2338 -2.2338 -2.1725 -2.1725 -0.4158 -0.4158 0.4504 0.4504 0.5947 0.5947 0.6941 0.6941 1.2344 1.2344 1.6163 1.6163 1.7731 1.7731 1.8728 1.8728 1.9569 1.9569 2.1504 2.1504 2.1976 2.1976 2.4086 2.4086 2.8616 2.8616 3.5168 3.5168 3.7878 3.7878 7.0693 7.0693 8.4353 8.4353 9.0656 9.0656 9.3642 9.3642 10.0954 10.0954 k = 0.0000 0.0000 0.0361 ( 4449 PWs) bands (ev): -19.2383 -19.2383 -19.1609 -19.1609 -13.9060 -13.9060 -13.8972 -13.8972 -4.7427 -4.7427 -4.2753 -4.2753 -3.3044 -3.3044 -2.6055 -2.6055 -2.4938 -2.4938 -2.2321 -2.2321 -2.1716 -2.1716 -0.3962 -0.3962 0.4410 0.4410 0.5895 0.5895 0.6872 0.6872 1.2351 1.2351 1.6155 1.6155 1.7734 1.7734 1.8773 1.8773 1.9580 1.9580 2.1750 2.1750 2.2017 2.2017 2.3812 2.3812 2.8549 2.8549 3.5194 3.5194 3.7861 3.7861 7.1031 7.1031 8.4793 8.4793 9.0164 9.0164 9.3260 9.3260 10.0930 10.0930 k = 0.0000 0.0000 0.0180 ( 4445 PWs) bands (ev): -19.2385 -19.2385 -19.1607 -19.1607 -13.9061 -13.9061 -13.8972 -13.8972 -4.7439 -4.7439 -4.2740 -4.2740 -3.3068 -3.3068 -2.6064 -2.6064 -2.4945 -2.4945 -2.2311 -2.2311 -2.1710 -2.1710 -0.3842 -0.3842 0.4351 0.4351 0.5862 0.5862 0.6830 0.6830 1.2355 1.2355 1.6151 1.6151 1.7736 1.7736 1.8799 1.8799 1.9586 1.9586 2.1938 2.1938 2.2045 2.2045 2.3605 2.3605 2.8508 2.8508 3.5209 3.5209 3.7851 3.7851 7.1244 7.1244 8.5079 8.5079 8.9856 8.9856 9.3011 9.3011 10.0916 10.0916 k = 0.0000 0.0000 0.0000 ( 4453 PWs) bands (ev): -19.2386 -19.2386 -19.1606 -19.1606 -13.9061 -13.9061 -13.8972 -13.8972 -4.7443 -4.7443 -4.2735 -4.2735 -3.3076 -3.3076 -2.6067 -2.6067 -2.4948 -2.4948 -2.2307 -2.2307 -2.1708 -2.1708 -0.3801 -0.3801 0.4330 0.4330 0.5851 0.5851 0.6817 0.6817 1.2356 1.2356 1.6149 1.6149 1.7736 1.7736 1.8807 1.8807 1.9588 1.9588 2.2004 2.2004 2.2062 2.2062 2.3524 2.3524 2.8494 2.8494 3.5215 3.5215 3.7848 3.7848 7.1317 7.1317 8.5179 8.5179 8.9751 8.9751 9.2925 9.2925 10.0911 10.0911 k = 0.0000 0.0000 0.0000 ( 4453 PWs) bands (ev): -19.2386 -19.2386 -19.1606 -19.1606 -13.9061 -13.9061 -13.8972 -13.8972 -4.7443 -4.7443 -4.2735 -4.2735 -3.3076 -3.3076 -2.6067 -2.6067 -2.4948 -2.4948 -2.2307 -2.2307 -2.1708 -2.1708 -0.3801 -0.3801 0.4330 0.4330 0.5851 0.5851 0.6817 0.6817 1.2356 1.2356 1.6149 1.6149 1.7736 1.7736 1.8807 1.8807 1.9588 1.9588 2.2004 2.2004 2.2062 2.2062 2.3524 2.3524 2.8494 2.8494 3.5215 3.5215 3.7848 3.7848 7.1317 7.1317 8.5179 8.5179 8.9751 8.9751 9.2925 9.2925 10.0911 10.0911 k =-0.0167 0.0060-0.0000 ( 4445 PWs) bands (ev): -19.2385 -19.2385 -19.1606 -19.1606 -13.9061 -13.9061 -13.8973 -13.8973 -4.7433 -4.7433 -4.2737 -4.2737 -3.3071 -3.3071 -2.6066 -2.6066 -2.4953 -2.4953 -2.2311 -2.2311 -2.1714 -2.1714 -0.3808 -0.3808 0.4338 0.4338 0.5860 0.5860 0.6827 0.6827 1.2351 1.2351 1.6145 1.6145 1.7696 1.7696 1.8772 1.8772 1.9483 1.9483 2.1998 2.1998 2.2190 2.2190 2.3591 2.3591 2.8492 2.8492 3.5204 3.5204 3.7832 3.7832 7.1340 7.1340 8.5165 8.5165 8.9760 8.9760 9.2932 9.2932 10.0892 10.0892 k =-0.0333 0.0120-0.0000 ( 4445 PWs) bands (ev): -19.2385 -19.2385 -19.1607 -19.1607 -13.9061 -13.9061 -13.8975 -13.8975 -4.7405 -4.7405 -4.2741 -4.2741 -3.3055 -3.3055 -2.6062 -2.6062 -2.4969 -2.4969 -2.2321 -2.2321 -2.1729 -2.1729 -0.3828 -0.3828 0.4358 0.4358 0.5885 0.5885 0.6859 0.6859 1.2337 1.2337 1.6130 1.6130 1.7580 1.7580 1.8624 1.8624 1.9277 1.9277 2.1971 2.1971 2.2523 2.2523 2.3781 2.3781 2.8488 2.8488 3.5170 3.5170 3.7786 3.7786 7.1409 7.1409 8.5124 8.5124 8.9789 8.9789 9.2955 9.2955 10.0836 10.0836 k =-0.0500 0.0180-0.0000 ( 4445 PWs) bands (ev): -19.2384 -19.2384 -19.1607 -19.1607 -13.9061 -13.9061 -13.8979 -13.8979 -4.7359 -4.7359 -4.2747 -4.2747 -3.3029 -3.3029 -2.6055 -2.6055 -2.4995 -2.4995 -2.2337 -2.2337 -2.1755 -2.1755 -0.3860 -0.3860 0.4392 0.4392 0.5928 0.5928 0.6911 0.6911 1.2313 1.2313 1.6104 1.6104 1.7399 1.7399 1.8300 1.8300 1.9141 1.9141 2.1938 2.1938 2.2956 2.2956 2.4068 2.4068 2.8480 2.8480 3.5115 3.5115 3.7708 3.7708 7.1525 7.1525 8.5057 8.5057 8.9838 8.9838 9.2991 9.2991 10.0740 10.0740 k =-0.0667 0.0240-0.0000 ( 4430 PWs) bands (ev): -19.2382 -19.2382 -19.1607 -19.1607 -13.9061 -13.9061 -13.8984 -13.8984 -4.7294 -4.7294 -4.2756 -4.2756 -3.2993 -3.2993 -2.6046 -2.6046 -2.5031 -2.5031 -2.2360 -2.2360 -2.1791 -2.1791 -0.3905 -0.3905 0.4437 0.4437 0.5989 0.5989 0.6983 0.6983 1.2279 1.2279 1.6061 1.6061 1.7158 1.7158 1.7872 1.7872 1.9085 1.9085 2.1908 2.1908 2.3427 2.3427 2.4428 2.4428 2.8471 2.8471 3.5039 3.5039 3.7600 3.7600 7.1687 7.1687 8.4963 8.4963 8.9904 8.9904 9.3041 9.3041 10.0602 10.0602 k =-0.0833 0.0300-0.0000 ( 4426 PWs) bands (ev): -19.2380 -19.2380 -19.1608 -19.1608 -13.9062 -13.9062 -13.8991 -13.8991 -4.7212 -4.7212 -4.2767 -4.2767 -3.2948 -3.2948 -2.6035 -2.6035 -2.5079 -2.5079 -2.2389 -2.2389 -2.1836 -2.1836 -0.3961 -0.3961 0.4490 0.4490 0.6067 0.6067 0.7072 0.7072 1.2232 1.2232 1.5991 1.5991 1.6841 1.6841 1.7460 1.7460 1.9060 1.9060 2.1882 2.1882 2.3904 2.3904 2.4841 2.4841 2.8460 2.8460 3.4943 3.4943 3.7460 3.7460 7.1897 7.1897 8.4845 8.4845 8.9988 8.9988 9.3102 9.3102 10.0422 10.0422 k =-0.1000 0.0360-0.0000 ( 4428 PWs) bands (ev): -19.2378 -19.2378 -19.1609 -19.1609 -13.9063 -13.9063 -13.8999 -13.8999 -4.7112 -4.7112 -4.2779 -4.2779 -3.2893 -3.2893 -2.6022 -2.6022 -2.5137 -2.5137 -2.2424 -2.2424 -2.1890 -2.1890 -0.4026 -0.4026 0.4549 0.4549 0.6164 0.6164 0.7174 0.7174 1.2171 1.2171 1.5887 1.5887 1.6420 1.6420 1.7155 1.7155 1.9048 1.9048 2.1862 2.1862 2.4371 2.4371 2.5292 2.5292 2.8451 2.8451 3.4829 3.4829 3.7291 3.7291 7.2154 7.2154 8.4704 8.4704 9.0089 9.0089 9.3174 9.3174 10.0196 10.0196 k =-0.1167 0.0420-0.0000 ( 4422 PWs) bands (ev): -19.2375 -19.2375 -19.1610 -19.1610 -13.9064 -13.9064 -13.9007 -13.9007 -4.6997 -4.6997 -4.2793 -4.2793 -3.2829 -3.2829 -2.6006 -2.6006 -2.5207 -2.5207 -2.2464 -2.2464 -2.1952 -2.1952 -0.4100 -0.4100 0.4612 0.4612 0.6279 0.6279 0.7288 0.7288 1.2095 1.2095 1.5744 1.5744 1.5931 1.5931 1.6962 1.6962 1.9042 1.9042 2.1846 2.1846 2.4816 2.4816 2.5767 2.5767 2.8445 2.8445 3.4698 3.4698 3.7091 3.7091 7.2460 7.2460 8.4542 8.4542 9.0206 9.0206 9.3252 9.3252 9.9924 9.9924 k =-0.1333 0.0481-0.0000 ( 4414 PWs) bands (ev): -19.2372 -19.2372 -19.1611 -19.1611 -13.9067 -13.9067 -13.9015 -13.9015 -4.6866 -4.6866 -4.2809 -4.2809 -3.2756 -3.2756 -2.5989 -2.5989 -2.5289 -2.5289 -2.2508 -2.2508 -2.2021 -2.2021 -0.4181 -0.4181 0.4676 0.4676 0.6410 0.6410 0.7408 0.7408 1.2001 1.2001 1.5425 1.5425 1.5572 1.5572 1.6845 1.6845 1.9039 1.9039 2.1834 2.1834 2.5232 2.5232 2.6256 2.6256 2.8445 2.8445 3.4553 3.4553 3.6862 3.6862 7.2813 7.2813 8.4361 8.4361 9.0337 9.0337 9.3335 9.3335 9.9606 9.9606 k =-0.1500 0.0541-0.0000 ( 4404 PWs) bands (ev): -19.2369 -19.2369 -19.1612 -19.1612 -13.9072 -13.9072 -13.9022 -13.9022 -4.6721 -4.6721 -4.2824 -4.2824 -3.2676 -3.2676 -2.5969 -2.5969 -2.5381 -2.5381 -2.2557 -2.2557 -2.2096 -2.2096 -0.4267 -0.4267 0.4740 0.4740 0.6554 0.6554 0.7529 0.7529 1.1888 1.1888 1.4939 1.4939 1.5383 1.5383 1.6778 1.6778 1.9037 1.9037 2.1825 2.1825 2.5611 2.5611 2.6750 2.6750 2.8456 2.8456 3.4398 3.4398 3.6605 3.6605 7.3216 7.3216 8.4163 8.4163 9.0482 9.0482 9.3419 9.3419 9.9242 9.9242 k =-0.1667 0.0601-0.0000 ( 4408 PWs) bands (ev): -19.2365 -19.2365 -19.1613 -19.1613 -13.9079 -13.9079 -13.9029 -13.9029 -4.6563 -4.6563 -4.2840 -4.2840 -3.2588 -3.2588 -2.5948 -2.5948 -2.5486 -2.5486 -2.2609 -2.2609 -2.2177 -2.2177 -0.4357 -0.4357 0.4800 0.4800 0.6704 0.6704 0.7647 0.7647 1.1753 1.1753 1.4492 1.4492 1.5194 1.5194 1.6743 1.6743 1.9037 1.9037 2.1817 2.1817 2.5946 2.5946 2.7241 2.7241 2.8484 2.8484 3.4236 3.4236 3.6320 3.6320 7.3666 7.3666 8.3951 8.3951 9.0638 9.0638 9.3501 9.3501 9.8835 9.8835 k =-0.1833 0.0661-0.0000 ( 4420 PWs) bands (ev): -19.2361 -19.2361 -19.1614 -19.1614 -13.9089 -13.9089 -13.9033 -13.9033 -4.6394 -4.6394 -4.2855 -4.2855 -3.2493 -3.2493 -2.5926 -2.5926 -2.5601 -2.5601 -2.2664 -2.2664 -2.2262 -2.2262 -0.4449 -0.4449 0.4856 0.4856 0.6849 0.6849 0.7760 0.7760 1.1596 1.1596 1.4103 1.4103 1.5018 1.5018 1.6730 1.6730 1.9037 1.9037 2.1811 2.1811 2.6228 2.6228 2.7718 2.7718 2.8533 2.8533 3.4073 3.4073 3.6010 3.6010 7.4163 7.4163 8.3728 8.3728 9.0805 9.0805 9.3577 9.3577 9.8390 9.8390 k =-0.2000 0.0721-0.0000 ( 4418 PWs) bands (ev): -19.2357 -19.2357 -19.1616 -19.1616 -13.9101 -13.9101 -13.9035 -13.9035 -4.6215 -4.6215 -4.2868 -4.2868 -3.2393 -3.2393 -2.5904 -2.5904 -2.5727 -2.5727 -2.2722 -2.2722 -2.2351 -2.2351 -0.4542 -0.4542 0.4909 0.4909 0.6969 0.6969 0.7876 0.7876 1.1416 1.1416 1.3789 1.3789 1.4861 1.4861 1.6733 1.6733 1.9037 1.9037 2.1807 2.1807 2.6455 2.6455 2.8168 2.8168 2.8612 2.8612 3.3916 3.3916 3.5678 3.5678 7.4706 7.4706 8.3496 8.3496 9.0981 9.0981 9.3643 9.3643 9.7913 9.7913 k =-0.2167 0.0781-0.0000 ( 4422 PWs) bands (ev): -19.2353 -19.2353 -19.1617 -19.1617 -13.9114 -13.9114 -13.9037 -13.9037 -4.6029 -4.6029 -4.2879 -4.2879 -3.2289 -3.2289 -2.5897 -2.5897 -2.5847 -2.5847 -2.2781 -2.2781 -2.2441 -2.2441 -0.4635 -0.4635 0.4956 0.4956 0.7037 0.7037 0.8007 0.8007 1.1213 1.1213 1.3565 1.3565 1.4726 1.4726 1.6749 1.6749 1.9038 1.9038 2.1804 2.1804 2.6623 2.6623 2.8558 2.8558 2.8745 2.8745 3.3774 3.3774 3.5326 3.5326 7.5292 7.5292 8.3258 8.3258 9.1165 9.1165 9.3695 9.3695 9.7410 9.7410 k =-0.2333 0.0841-0.0000 ( 4424 PWs) bands (ev): -19.2349 -19.2349 -19.1619 -19.1619 -13.9129 -13.9129 -13.9038 -13.9038 -4.5838 -4.5838 -4.2886 -4.2886 -3.2180 -3.2180 -2.6019 -2.6019 -2.5847 -2.5847 -2.2841 -2.2841 -2.2534 -2.2534 -0.4725 -0.4725 0.4999 0.4999 0.7029 0.7029 0.8169 0.8169 1.0991 1.0991 1.3436 1.3436 1.4614 1.4614 1.6775 1.6775 1.9039 1.9039 2.1801 2.1801 2.6738 2.6738 2.8774 2.8774 2.9024 2.9024 3.3658 3.3658 3.4960 3.4960 7.5921 7.5921 8.3018 8.3018 9.1354 9.1354 9.3728 9.3728 9.6888 9.6888 k =-0.2500 0.0901-0.0000 ( 4424 PWs) bands (ev): -19.2345 -19.2345 -19.1620 -19.1620 -13.9145 -13.9145 -13.9038 -13.9038 -4.5644 -4.5644 -4.2888 -4.2888 -3.2068 -3.2068 -2.6174 -2.6174 -2.5823 -2.5823 -2.2902 -2.2902 -2.2626 -2.2626 -0.4812 -0.4812 0.5036 0.5036 0.6939 0.6939 0.8367 0.8367 1.0756 1.0756 1.3399 1.3399 1.4525 1.4525 1.6813 1.6813 1.9041 1.9041 2.1799 2.1799 2.6807 2.6807 2.8914 2.8914 2.9327 2.9327 3.3580 3.3580 3.4587 3.4587 7.6589 7.6589 8.2778 8.2778 9.1546 9.1546 9.3739 9.3739 9.6354 9.6354 k =-0.2667 0.0961-0.0000 ( 4426 PWs) bands (ev): -19.2340 -19.2340 -19.1622 -19.1622 -13.9160 -13.9160 -13.9038 -13.9038 -4.5451 -4.5451 -4.2884 -4.2884 -3.1955 -3.1955 -2.6338 -2.6338 -2.5798 -2.5798 -2.2962 -2.2962 -2.2718 -2.2718 -0.4895 -0.4895 0.5066 0.5066 0.6779 0.6779 0.8591 0.8591 1.0516 1.0516 1.3442 1.3442 1.4458 1.4458 1.6863 1.6863 1.9043 1.9043 2.1799 2.1799 2.6841 2.6841 2.9041 2.9041 2.9564 2.9564 3.3541 3.3541 3.4226 3.4226 7.7291 7.7291 8.2542 8.2542 9.1739 9.1739 9.3723 9.3723 9.5816 9.5816 k =-0.2833 0.1021-0.0000 ( 4430 PWs) bands (ev): -19.2336 -19.2336 -19.1623 -19.1623 -13.9176 -13.9176 -13.9037 -13.9037 -4.5263 -4.5263 -4.2872 -4.2872 -3.1841 -3.1841 -2.6509 -2.6509 -2.5772 -2.5772 -2.3022 -2.3022 -2.2808 -2.2808 -0.4973 -0.4973 0.5090 0.5090 0.6567 0.6567 0.8831 0.8831 1.0279 1.0279 1.3545 1.3545 1.4415 1.4415 1.6925 1.6925 1.9045 1.9045 2.1798 2.1798 2.6849 2.6849 2.9148 2.9148 2.9718 2.9718 3.3492 3.3492 3.3945 3.3945 7.8024 7.8024 8.2314 8.2314 9.1930 9.1930 9.3676 9.3676 9.5281 9.5281 k =-0.3000 0.1081-0.0000 ( 4424 PWs) bands (ev): -19.2332 -19.2332 -19.1625 -19.1625 -13.9192 -13.9192 -13.9037 -13.9037 -4.5083 -4.5083 -4.2850 -4.2850 -3.1729 -3.1729 -2.6684 -2.6684 -2.5746 -2.5746 -2.3080 -2.3080 -2.2896 -2.2896 -0.5046 -0.5046 0.5104 0.5104 0.6325 0.6325 0.9077 0.9077 1.0052 1.0052 1.3681 1.3681 1.4402 1.4402 1.7002 1.7002 1.9048 1.9048 2.1799 2.1799 2.6841 2.6841 2.9226 2.9226 2.9786 2.9786 3.3276 3.3276 3.3908 3.3908 7.8782 7.8782 8.2097 8.2097 9.2116 9.2116 9.3595 9.3595 9.4756 9.4756 k =-0.3167 0.1141-0.0000 ( 4426 PWs) bands (ev): -19.2328 -19.2328 -19.1626 -19.1626 -13.9207 -13.9207 -13.9036 -13.9036 -4.4914 -4.4914 -4.2818 -4.2818 -3.1618 -3.1618 -2.6861 -2.6861 -2.5722 -2.5722 -2.3137 -2.3137 -2.2979 -2.2979 -0.5112 -0.5112 0.5103 0.5103 0.6073 0.6073 0.9317 0.9317 0.9842 0.9842 1.3819 1.3819 1.4433 1.4433 1.7095 1.7095 1.9051 1.9051 2.1801 2.1801 2.6821 2.6821 2.9262 2.9262 2.9775 2.9775 3.2962 3.2962 3.4049 3.4049 7.9553 7.9553 8.1901 8.1901 9.2292 9.2292 9.3478 9.3478 9.4248 9.4248 k =-0.3333 0.1201-0.0000 ( 4430 PWs) bands (ev): -19.2324 -19.2324 -19.1628 -19.1628 -13.9221 -13.9221 -13.9036 -13.9036 -4.4761 -4.4761 -4.2773 -4.2773 -3.1510 -3.1510 -2.7038 -2.7038 -2.5698 -2.5698 -2.3192 -2.3192 -2.3058 -2.3058 -0.5173 -0.5173 0.5077 0.5077 0.5837 0.5837 0.9479 0.9479 0.9721 0.9721 1.3920 1.3920 1.4526 1.4526 1.7208 1.7208 1.9054 1.9054 2.1804 2.1804 2.6794 2.6794 2.9251 2.9251 2.9701 2.9701 3.2657 3.2657 3.4260 3.4260 8.0311 8.0311 8.1751 8.1751 9.2448 9.2448 9.3329 9.3329 9.3763 9.3763 k =-0.3500 0.1261-0.0000 ( 4446 PWs) bands (ev): -19.2320 -19.2320 -19.1629 -19.1629 -13.9235 -13.9235 -13.9035 -13.9035 -4.4626 -4.4626 -4.2715 -4.2715 -3.1408 -3.1408 -2.7212 -2.7212 -2.5675 -2.5675 -2.3245 -2.3245 -2.3131 -2.3131 -0.5227 -0.5227 0.5004 0.5004 0.5647 0.5647 0.9376 0.9376 0.9871 0.9871 1.3974 1.3974 1.4675 1.4675 1.7342 1.7342 1.9058 1.9058 2.1807 2.1807 2.6764 2.6764 2.9190 2.9190 2.9570 2.9570 3.2393 3.2393 3.4501 3.4501 8.0923 8.0923 8.1775 8.1775 9.2556 9.2556 9.3162 9.3162 9.3315 9.3315 k =-0.3667 0.1321-0.0000 ( 4444 PWs) bands (ev): -19.2316 -19.2316 -19.1630 -19.1630 -13.9248 -13.9248 -13.9035 -13.9035 -4.4511 -4.4511 -4.2647 -4.2647 -3.1312 -3.1312 -2.7381 -2.7381 -2.5654 -2.5654 -2.3296 -2.3296 -2.3196 -2.3196 -0.5275 -0.5275 0.4870 0.4870 0.5528 0.5528 0.9212 0.9212 1.0086 1.0086 1.3997 1.3997 1.4852 1.4852 1.7499 1.7499 1.9063 1.9063 2.1812 2.1812 2.6735 2.6735 2.9088 2.9088 2.9389 2.9389 3.2186 3.2186 3.4752 3.4752 8.1075 8.1075 8.2285 8.2285 9.2531 9.2531 9.2871 9.2871 9.3096 9.3096 k =-0.3833 0.1381-0.0000 ( 4440 PWs) bands (ev): -19.2313 -19.2313 -19.1631 -19.1631 -13.9259 -13.9259 -13.9034 -13.9034 -4.4417 -4.4417 -4.2570 -4.2570 -3.1223 -3.1223 -2.7540 -2.7540 -2.5635 -2.5635 -2.3345 -2.3345 -2.3252 -2.3252 -0.5316 -0.5316 0.4693 0.4693 0.5470 0.5470 0.9057 0.9057 1.0294 1.0294 1.4005 1.4005 1.5029 1.5029 1.7675 1.7675 1.9071 1.9071 2.1818 2.1818 2.6707 2.6707 2.8958 2.8958 2.9165 2.9165 3.2037 3.2037 3.4997 3.4997 8.0993 8.0993 8.3049 8.3049 9.2312 9.2312 9.2495 9.2495 9.3130 9.3130 k =-0.4000 0.1442-0.0000 ( 4432 PWs) bands (ev): -19.2310 -19.2310 -19.1632 -19.1632 -13.9269 -13.9269 -13.9034 -13.9034 -4.4342 -4.4342 -4.2488 -4.2488 -3.1142 -3.1142 -2.7686 -2.7686 -2.5618 -2.5618 -2.3391 -2.3391 -2.3300 -2.3300 -0.5351 -0.5351 0.4504 0.4504 0.5444 0.5444 0.8919 0.8919 1.0485 1.0485 1.4006 1.4006 1.5190 1.5190 1.7864 1.7864 1.9080 1.9080 2.1825 2.1825 2.6683 2.6683 2.8807 2.8807 2.8918 2.8918 3.1940 3.1940 3.5226 3.5226 8.0880 8.0880 8.3862 8.3862 9.1986 9.1986 9.2141 9.2141 9.3222 9.3222 k =-0.4167 0.1502-0.0000 ( 4438 PWs) bands (ev): -19.2308 -19.2308 -19.1633 -19.1633 -13.9278 -13.9278 -13.9033 -13.9033 -4.4283 -4.4283 -4.2407 -4.2407 -3.1072 -3.1072 -2.7817 -2.7817 -2.5603 -2.5603 -2.3433 -2.3433 -2.3339 -2.3339 -0.5380 -0.5380 0.4327 0.4327 0.5433 0.5433 0.8799 0.8799 1.0653 1.0653 1.4005 1.4005 1.5328 1.5328 1.8056 1.8056 1.9092 1.9092 2.1833 2.1833 2.6663 2.6663 2.8602 2.8602 2.8713 2.8713 3.1881 3.1881 3.5432 3.5432 8.0772 8.0772 8.4680 8.4680 9.1592 9.1592 9.1827 9.1827 9.3319 9.3319 k =-0.4333 0.1562-0.0000 ( 4436 PWs) bands (ev): -19.2306 -19.2306 -19.1634 -19.1634 -13.9286 -13.9286 -13.9033 -13.9033 -4.4240 -4.4240 -4.2332 -4.2332 -3.1013 -3.1013 -2.7930 -2.7930 -2.5590 -2.5590 -2.3469 -2.3469 -2.3370 -2.3370 -0.5404 -0.5404 0.4173 0.4173 0.5429 0.5429 0.8700 0.8700 1.0795 1.0795 1.4002 1.4002 1.5440 1.5440 1.8236 1.8236 1.9109 1.9109 2.1842 2.1842 2.6648 2.6648 2.8351 2.8351 2.8574 2.8574 3.1849 3.1849 3.5606 3.5606 8.0678 8.0678 8.5488 8.5488 9.1132 9.1132 9.1570 9.1570 9.3407 9.3407 k =-0.4500 0.1622-0.0000 ( 4442 PWs) bands (ev): -19.2304 -19.2304 -19.1635 -19.1635 -13.9292 -13.9292 -13.9033 -13.9033 -4.4209 -4.4209 -4.2267 -4.2267 -3.0966 -3.0966 -2.8020 -2.8020 -2.5580 -2.5580 -2.3499 -2.3499 -2.3394 -2.3394 -0.5422 -0.5422 0.4048 0.4048 0.5428 0.5428 0.8622 0.8622 1.0909 1.0909 1.4000 1.4000 1.5524 1.5524 1.8389 1.8389 1.9130 1.9130 2.1851 2.1851 2.6638 2.6638 2.8122 2.8122 2.8464 2.8464 3.1832 3.1832 3.5747 3.5747 8.0603 8.0603 8.6272 8.6272 9.0620 9.0620 9.1371 9.1371 9.3478 9.3478 k =-0.4667 0.1682-0.0000 ( 4438 PWs) bands (ev): -19.2303 -19.2303 -19.1635 -19.1635 -13.9296 -13.9296 -13.9033 -13.9033 -4.4188 -4.4188 -4.2218 -4.2218 -3.0932 -3.0932 -2.8087 -2.8087 -2.5573 -2.5573 -2.3520 -2.3520 -2.3411 -2.3411 -0.5435 -0.5435 0.3957 0.3957 0.5428 0.5428 0.8567 0.8567 1.0991 1.0991 1.3998 1.3998 1.5584 1.5584 1.8504 1.8504 1.9154 1.9154 2.1859 2.1859 2.6633 2.6633 2.7939 2.7939 2.8382 2.8382 3.1825 3.1825 3.5849 3.5849 8.0549 8.0549 8.7015 8.7015 9.0074 9.0074 9.1227 9.1227 9.3531 9.3531 k =-0.4833 0.1742-0.0000 ( 4442 PWs) bands (ev): -19.2302 -19.2302 -19.1635 -19.1635 -13.9298 -13.9298 -13.9033 -13.9033 -4.4176 -4.4176 -4.2188 -4.2188 -3.0911 -3.0911 -2.8128 -2.8128 -2.5568 -2.5568 -2.3534 -2.3534 -2.3421 -2.3421 -0.5442 -0.5442 0.3901 0.3901 0.5428 0.5428 0.8533 0.8533 1.1042 1.1042 1.3997 1.3997 1.5620 1.5620 1.8573 1.8573 1.9172 1.9172 2.1864 2.1864 2.6631 2.6631 2.7821 2.7821 2.8331 2.8331 3.1822 3.1822 3.5912 3.5912 8.0515 8.0515 8.7666 8.7666 8.9541 8.9541 9.1140 9.1140 9.3563 9.3563 k =-0.5000 0.1802-0.0000 ( 4446 PWs) bands (ev): -19.2302 -19.2302 -19.1636 -19.1636 -13.9299 -13.9299 -13.9032 -13.9032 -4.4173 -4.4173 -4.2177 -4.2177 -3.0904 -3.0904 -2.8141 -2.8141 -2.5567 -2.5567 -2.3538 -2.3538 -2.3425 -2.3425 -0.5445 -0.5445 0.3882 0.3882 0.5428 0.5428 0.8522 0.8522 1.1058 1.1058 1.3997 1.3997 1.5631 1.5631 1.8595 1.8595 1.9180 1.9180 2.1866 2.1866 2.6630 2.6630 2.7781 2.7781 2.8314 2.8314 3.1821 3.1821 3.5932 3.5932 8.0504 8.0504 8.8000 8.8000 8.9245 8.9245 9.1111 9.1111 9.3574 9.3574 k =-0.5000 0.1802-0.0000 ( 4446 PWs) bands (ev): -19.2302 -19.2302 -19.1636 -19.1636 -13.9299 -13.9299 -13.9032 -13.9032 -4.4173 -4.4173 -4.2177 -4.2177 -3.0904 -3.0904 -2.8141 -2.8141 -2.5567 -2.5567 -2.3538 -2.3538 -2.3425 -2.3425 -0.5445 -0.5445 0.3882 0.3882 0.5428 0.5428 0.8522 0.8522 1.1058 1.1058 1.3997 1.3997 1.5631 1.5631 1.8595 1.8595 1.9180 1.9180 2.1866 2.1866 2.6630 2.6630 2.7781 2.7781 2.8314 2.8314 3.1821 3.1821 3.5932 3.5932 8.0504 8.0504 8.8000 8.8000 8.9245 8.9245 9.1111 9.1111 9.3574 9.3574 k =-0.4940 0.1970-0.0000 ( 4446 PWs) bands (ev): -19.2302 -19.2302 -19.1636 -19.1636 -13.9299 -13.9299 -13.9032 -13.9032 -4.4171 -4.4171 -4.2178 -4.2178 -3.0901 -3.0901 -2.8140 -2.8140 -2.5572 -2.5572 -2.3542 -2.3542 -2.3430 -2.3430 -0.5441 -0.5441 0.3886 0.3886 0.5428 0.5428 0.8523 0.8523 1.1060 1.1060 1.3999 1.3999 1.5633 1.5633 1.8595 1.8595 1.9179 1.9179 2.1856 2.1856 2.6503 2.6503 2.7798 2.7798 2.8437 2.8437 3.1825 3.1825 3.5921 3.5921 8.0526 8.0526 8.8004 8.8004 8.9244 8.9244 9.1071 9.1071 9.3591 9.3591 k =-0.4879 0.2137-0.0000 ( 4454 PWs) bands (ev): -19.2300 -19.2300 -19.1635 -19.1635 -13.9298 -13.9298 -13.9031 -13.9031 -4.4165 -4.4165 -4.2182 -4.2182 -3.0891 -3.0891 -2.8136 -2.8136 -2.5589 -2.5589 -2.3552 -2.3552 -2.3448 -2.3448 -0.5430 -0.5430 0.3898 0.3898 0.5426 0.5426 0.8524 0.8524 1.1063 1.1063 1.4003 1.4003 1.5639 1.5639 1.8592 1.8592 1.9178 1.9178 2.1827 2.1827 2.6199 2.6199 2.7839 2.7839 2.8738 2.8738 3.1837 3.1837 3.5886 3.5886 8.0590 8.0590 8.8013 8.8013 8.9238 8.9238 9.0955 9.0955 9.3642 9.3642 k =-0.4819 0.2305-0.0000 ( 4454 PWs) bands (ev): -19.2298 -19.2298 -19.1635 -19.1635 -13.9295 -13.9295 -13.9030 -13.9030 -4.4156 -4.4156 -4.2188 -4.2188 -3.0875 -3.0875 -2.8129 -2.8129 -2.5616 -2.5616 -2.3569 -2.3569 -2.3475 -2.3475 -0.5413 -0.5413 0.3916 0.3916 0.5423 0.5423 0.8526 0.8526 1.1069 1.1069 1.4012 1.4012 1.5648 1.5648 1.8589 1.8589 1.9174 1.9174 2.1780 2.1780 2.5820 2.5820 2.7899 2.7899 2.9118 2.9118 3.1860 3.1860 3.5829 3.5829 8.0697 8.0697 8.8029 8.8029 8.9230 8.9230 9.0766 9.0766 9.3721 9.3721 k =-0.4758 0.2473-0.0000 ( 4456 PWs) bands (ev): -19.2294 -19.2294 -19.1635 -19.1635 -13.9293 -13.9293 -13.9028 -13.9028 -4.4144 -4.4144 -4.2196 -4.2196 -3.0853 -3.0853 -2.8119 -2.8119 -2.5653 -2.5653 -2.3597 -2.3597 -2.3510 -2.3510 -0.5388 -0.5388 0.3943 0.3943 0.5419 0.5419 0.8530 0.8530 1.1078 1.1078 1.4023 1.4023 1.5661 1.5661 1.8586 1.8586 1.9170 1.9170 2.1714 2.1714 2.5413 2.5413 2.7978 2.7978 2.9525 2.9525 3.1897 3.1897 3.5749 3.5749 8.0846 8.0846 8.8051 8.8051 8.9218 8.9218 9.0513 9.0513 9.3823 9.3823 k =-0.4698 0.2640-0.0000 ( 4460 PWs) bands (ev): -19.2290 -19.2290 -19.1635 -19.1635 -13.9289 -13.9289 -13.9025 -13.9025 -4.4128 -4.4128 -4.2206 -4.2206 -3.0823 -3.0823 -2.8106 -2.8106 -2.5701 -2.5701 -2.3639 -2.3639 -2.3549 -2.3549 -0.5357 -0.5357 0.3976 0.3976 0.5414 0.5414 0.8533 0.8533 1.1090 1.1090 1.4037 1.4037 1.5677 1.5677 1.8582 1.8582 1.9165 1.9165 2.1632 2.1632 2.5000 2.5000 2.8075 2.8075 2.9927 2.9927 3.1959 3.1959 3.5648 3.5648 8.1036 8.1036 8.8079 8.8079 8.9202 8.9202 9.0202 9.0202 9.3946 9.3946 k =-0.4637 0.2808-0.0000 ( 4464 PWs) bands (ev): -19.2285 -19.2285 -19.1635 -19.1635 -13.9284 -13.9284 -13.9022 -13.9022 -4.4108 -4.4108 -4.2218 -4.2218 -3.0788 -3.0788 -2.8091 -2.8091 -2.5758 -2.5758 -2.3698 -2.3698 -2.3587 -2.3587 -0.5319 -0.5319 0.4016 0.4016 0.5407 0.5407 0.8537 0.8537 1.1106 1.1106 1.4053 1.4053 1.5695 1.5695 1.8580 1.8580 1.9157 1.9157 2.1534 2.1534 2.4590 2.4590 2.8188 2.8188 3.0302 3.0302 3.2058 3.2058 3.5525 3.5525 8.1266 8.1266 8.8113 8.8113 8.9182 8.9182 8.9838 8.9838 9.4085 9.4085 k =-0.4577 0.2976-0.0000 ( 4446 PWs) bands (ev): -19.2278 -19.2278 -19.1634 -19.1634 -13.9279 -13.9279 -13.9019 -13.9019 -4.4086 -4.4086 -4.2233 -4.2233 -3.0746 -3.0746 -2.8074 -2.8074 -2.5823 -2.5823 -2.3773 -2.3773 -2.3627 -2.3627 -0.5274 -0.5274 0.4063 0.4063 0.5400 0.5400 0.8540 0.8540 1.1125 1.1125 1.4072 1.4072 1.5714 1.5714 1.8581 1.8581 1.9149 1.9149 2.1423 2.1423 2.4192 2.4192 2.8315 2.8315 3.0623 3.0623 3.2217 3.2217 3.5383 3.5383 8.1534 8.1534 8.8153 8.8153 8.9156 8.9156 8.9430 8.9430 9.4240 9.4240 k =-0.4517 0.3143-0.0000 ( 4448 PWs) bands (ev): -19.2271 -19.2271 -19.1634 -19.1634 -13.9273 -13.9273 -13.9015 -13.9015 -4.4060 -4.4060 -4.2250 -4.2250 -3.0698 -3.0698 -2.8056 -2.8056 -2.5896 -2.5896 -2.3861 -2.3861 -2.3669 -2.3669 -0.5224 -0.5224 0.4115 0.4115 0.5391 0.5391 0.8542 0.8542 1.1149 1.1149 1.4092 1.4092 1.5734 1.5734 1.8585 1.8585 1.9138 1.9138 2.1297 2.1297 2.3810 2.3810 2.8453 2.8453 3.0868 3.0868 3.2452 3.2452 3.5221 3.5221 8.1839 8.1839 8.8198 8.8198 8.8964 8.8964 8.9142 8.9142 9.4409 9.4409 k =-0.4456 0.3311-0.0000 ( 4436 PWs) bands (ev): -19.2263 -19.2263 -19.1634 -19.1634 -13.9266 -13.9266 -13.9010 -13.9010 -4.4032 -4.4032 -4.2268 -4.2268 -3.0644 -3.0644 -2.8036 -2.8036 -2.5976 -2.5976 -2.3961 -2.3961 -2.3714 -2.3714 -0.5167 -0.5167 0.4174 0.4174 0.5380 0.5380 0.8543 0.8543 1.1178 1.1178 1.4112 1.4112 1.5755 1.5755 1.8595 1.8595 1.9125 1.9125 2.1157 2.1157 2.3449 2.3449 2.8602 2.8602 3.1034 3.1034 3.2764 3.2764 3.5043 3.5043 8.2179 8.2179 8.8243 8.8243 8.8485 8.8485 8.9104 8.9104 9.4592 9.4592 k =-0.4396 0.3479-0.0000 ( 4432 PWs) bands (ev): -19.2254 -19.2254 -19.1633 -19.1633 -13.9258 -13.9258 -13.9005 -13.9005 -4.4001 -4.4001 -4.2288 -4.2288 -3.0583 -3.0583 -2.8017 -2.8017 -2.6061 -2.6061 -2.4073 -2.4073 -2.3764 -2.3764 -0.5105 -0.5105 0.4237 0.4237 0.5368 0.5368 0.8541 0.8541 1.1211 1.1211 1.4132 1.4132 1.5773 1.5773 1.8611 1.8611 1.9109 1.9109 2.1004 2.1004 2.3113 2.3113 2.8757 2.8757 3.1137 3.1137 3.3132 3.3132 3.4850 3.4850 8.2552 8.2552 8.7940 8.7940 8.8320 8.8320 8.9066 8.9066 9.4789 9.4789 k =-0.4335 0.3646-0.0000 ( 4432 PWs) bands (ev): -19.2245 -19.2245 -19.1633 -19.1633 -13.9250 -13.9250 -13.8999 -13.8999 -4.3968 -4.3968 -4.2310 -4.2310 -3.0517 -3.0517 -2.7998 -2.7998 -2.6149 -2.6149 -2.4193 -2.4193 -2.3818 -2.3818 -0.5038 -0.5038 0.4304 0.4304 0.5355 0.5355 0.8537 0.8537 1.1250 1.1250 1.4150 1.4150 1.5789 1.5789 1.8637 1.8637 1.9089 1.9089 2.0838 2.0838 2.2806 2.2806 2.8918 2.8918 3.1199 3.1199 3.3528 3.3528 3.4650 3.4650 8.2953 8.2953 8.7389 8.7389 8.8380 8.8380 8.9024 8.9024 9.4999 9.4999 k =-0.4275 0.3814-0.0000 ( 4436 PWs) bands (ev): -19.2234 -19.2234 -19.1633 -19.1633 -13.9241 -13.9241 -13.8994 -13.8994 -4.3933 -4.3933 -4.2334 -4.2334 -3.0445 -3.0445 -2.7981 -2.7981 -2.6239 -2.6239 -2.4323 -2.4323 -2.3877 -2.3877 -0.4966 -0.4966 0.4375 0.4375 0.5340 0.5340 0.8528 0.8528 1.1294 1.1294 1.4165 1.4165 1.5802 1.5802 1.8671 1.8671 1.9064 1.9064 2.0662 2.0662 2.2531 2.2531 2.9083 2.9083 3.1234 3.1234 3.3898 3.3898 3.4482 3.4482 8.3381 8.3381 8.6810 8.6810 8.8450 8.8450 8.8977 8.8977 9.5223 9.5223 k =-0.4214 0.3982-0.0000 ( 4450 PWs) bands (ev): -19.2223 -19.2223 -19.1633 -19.1633 -13.9232 -13.9232 -13.8988 -13.8988 -4.3897 -4.3897 -4.2359 -4.2359 -3.0366 -3.0366 -2.7968 -2.7968 -2.6329 -2.6329 -2.4460 -2.4460 -2.3942 -2.3942 -0.4889 -0.4889 0.4448 0.4448 0.5324 0.5324 0.8515 0.8515 1.1344 1.1344 1.4176 1.4176 1.5811 1.5811 1.8716 1.8716 1.9033 1.9033 2.0480 2.0480 2.2289 2.2289 2.9249 2.9249 3.1253 3.1253 3.4000 3.4000 3.4578 3.4578 8.3828 8.3828 8.6214 8.6214 8.8526 8.8526 8.8923 8.8923 9.5459 9.5459 k =-0.4154 0.4149-0.0000 ( 4450 PWs) bands (ev): -19.2211 -19.2211 -19.1633 -19.1633 -13.9222 -13.9222 -13.8981 -13.8981 -4.3858 -4.3858 -4.2386 -4.2386 -3.0283 -3.0283 -2.7960 -2.7960 -2.6415 -2.6415 -2.4604 -2.4604 -2.4011 -2.4011 -0.4808 -0.4808 0.4522 0.4522 0.5309 0.5309 0.8499 0.8499 1.1401 1.1401 1.4181 1.4181 1.5815 1.5815 1.8770 1.8770 1.8998 1.8998 2.0298 2.0298 2.2078 2.2078 2.9416 2.9416 3.1260 3.1260 3.3807 3.3807 3.4958 3.4958 8.4277 8.4277 8.5620 8.5620 8.8608 8.8608 8.8863 8.8863 9.5709 9.5709 k =-0.4094 0.4317-0.0000 ( 4456 PWs) bands (ev): -19.2198 -19.2198 -19.1634 -19.1634 -13.9211 -13.9211 -13.8974 -13.8974 -4.3819 -4.3819 -4.2414 -4.2414 -3.0193 -3.0193 -2.7959 -2.7959 -2.6494 -2.6494 -2.4755 -2.4755 -2.4085 -2.4085 -0.4723 -0.4723 0.4593 0.4593 0.5296 0.5296 0.8477 0.8477 1.1464 1.1464 1.4180 1.4180 1.5815 1.5815 1.8818 1.8818 1.8970 1.8970 2.0125 2.0125 2.1897 2.1897 2.9581 2.9581 3.1260 3.1260 3.3553 3.3553 3.5387 3.5387 8.4579 8.4579 8.5176 8.5176 8.8698 8.8698 8.8795 8.8795 9.5971 9.5971 k =-0.4033 0.4485-0.0000 ( 4456 PWs) bands (ev): -19.2185 -19.2185 -19.1634 -19.1634 -13.9200 -13.9200 -13.8967 -13.8967 -4.3779 -4.3779 -4.2442 -4.2442 -3.0098 -3.0098 -2.7969 -2.7969 -2.6564 -2.6564 -2.4910 -2.4910 -2.4165 -2.4165 -0.4635 -0.4635 0.4660 0.4660 0.5287 0.5287 0.8450 0.8450 1.1534 1.1534 1.4171 1.4171 1.5809 1.5809 1.8809 1.8809 1.8997 1.8997 1.9971 1.9971 2.1743 2.1743 2.9744 2.9744 3.1254 3.1254 3.3279 3.3279 3.5822 3.5822 8.4184 8.4184 8.5432 8.5432 8.8720 8.8720 8.8794 8.8794 9.6245 9.6245 k =-0.3973 0.4652-0.0000 ( 4448 PWs) bands (ev): -19.2171 -19.2171 -19.1635 -19.1635 -13.9189 -13.9189 -13.8960 -13.8960 -4.3739 -4.3739 -4.2472 -4.2472 -2.9998 -2.9998 -2.7992 -2.7992 -2.6620 -2.6620 -2.5070 -2.5070 -2.4249 -2.4249 -0.4543 -0.4543 0.4718 0.4718 0.5287 0.5287 0.8419 0.8419 1.1610 1.1610 1.4154 1.4154 1.5799 1.5799 1.8739 1.8739 1.9082 1.9082 1.9842 1.9842 2.1610 2.1610 2.9903 2.9903 3.1243 3.1243 3.2993 3.2993 3.6254 3.6254 8.3564 8.3564 8.5915 8.5915 8.8636 8.8636 8.8897 8.8897 9.6530 9.6530 k =-0.3912 0.4820-0.0000 ( 4446 PWs) bands (ev): -19.2157 -19.2157 -19.1636 -19.1636 -13.9178 -13.9178 -13.8952 -13.8952 -4.3700 -4.3700 -4.2503 -4.2503 -2.9892 -2.9892 -2.8029 -2.8029 -2.6660 -2.6660 -2.5233 -2.5233 -2.4339 -2.4339 -0.4449 -0.4449 0.4761 0.4761 0.5299 0.5299 0.8382 0.8382 1.1692 1.1692 1.4126 1.4126 1.5784 1.5784 1.8644 1.8644 1.9191 1.9191 1.9744 1.9744 2.1498 2.1498 3.0057 3.0057 3.1227 3.1227 3.2698 3.2698 3.6680 3.6680 8.2917 8.2917 8.6425 8.6425 8.8542 8.8542 8.9009 8.9009 9.6827 9.6827 k =-0.3852 0.4988-0.0000 ( 4446 PWs) bands (ev): -19.2142 -19.2142 -19.1637 -19.1637 -13.9166 -13.9166 -13.8944 -13.8944 -4.3660 -4.3660 -4.2534 -4.2534 -2.9782 -2.9782 -2.8081 -2.8081 -2.6683 -2.6683 -2.5398 -2.5398 -2.4434 -2.4434 -0.4353 -0.4353 0.4784 0.4784 0.5328 0.5328 0.8340 0.8340 1.1778 1.1778 1.4089 1.4089 1.5762 1.5762 1.8539 1.8539 1.9308 1.9308 1.9680 1.9680 2.1403 2.1403 3.0204 3.0204 3.1205 3.1205 3.2399 3.2399 3.7096 3.7096 8.2265 8.2265 8.6935 8.6935 8.8438 8.8438 8.9133 8.9133 9.7134 9.7134 k =-0.3791 0.5155-0.0000 ( 4444 PWs) bands (ev): -19.2127 -19.2127 -19.1639 -19.1639 -13.9154 -13.9154 -13.8936 -13.8936 -4.3622 -4.3622 -4.2565 -4.2565 -2.9667 -2.9667 -2.8148 -2.8148 -2.6689 -2.6689 -2.5565 -2.5565 -2.4534 -2.4534 -0.4255 -0.4255 0.4786 0.4786 0.5376 0.5376 0.8293 0.8293 1.1868 1.1868 1.4043 1.4043 1.5735 1.5735 1.8434 1.8434 1.9415 1.9415 1.9662 1.9662 2.1322 2.1322 3.0343 3.0343 3.1177 3.1177 3.2099 3.2099 3.7500 3.7500 8.1614 8.1614 8.7434 8.7434 8.8323 8.8323 8.9270 8.9270 9.7452 9.7452 k =-0.3731 0.5323-0.0000 ( 4450 PWs) bands (ev): -19.2111 -19.2111 -19.1641 -19.1641 -13.9142 -13.9142 -13.8928 -13.8928 -4.3585 -4.3585 -4.2597 -4.2597 -2.9547 -2.9547 -2.8227 -2.8227 -2.6680 -2.6680 -2.5733 -2.5733 -2.4640 -2.4640 -0.4156 -0.4156 0.4769 0.4769 0.5438 0.5438 0.8242 0.8242 1.1960 1.1960 1.3989 1.3989 1.5702 1.5702 1.8338 1.8338 1.9467 1.9467 1.9726 1.9726 2.1257 2.1257 3.0471 3.0471 3.1135 3.1135 3.1810 3.1810 3.7891 3.7891 8.0970 8.0970 8.7904 8.7904 8.8197 8.8197 8.9429 8.9429 9.7779 9.7779 k =-0.3671 0.5491-0.0000 ( 4446 PWs) bands (ev): -19.2095 -19.2095 -19.1643 -19.1643 -13.9129 -13.9129 -13.8921 -13.8921 -4.3551 -4.3551 -4.2629 -4.2629 -2.9422 -2.9422 -2.8315 -2.8315 -2.6656 -2.6656 -2.5901 -2.5901 -2.4750 -2.4750 -0.4055 -0.4055 0.4738 0.4738 0.5511 0.5511 0.8187 0.8187 1.2053 1.2053 1.3928 1.3928 1.5664 1.5664 1.8256 1.8256 1.9472 1.9472 1.9858 1.9858 2.1207 2.1207 3.0583 3.0583 3.1065 3.1065 3.1555 3.1555 3.8268 3.8268 8.0336 8.0336 8.8045 8.8045 8.8345 8.8345 8.9617 8.9617 9.8115 9.8115 k =-0.3610 0.5658-0.0000 ( 4452 PWs) bands (ev): -19.2079 -19.2079 -19.1646 -19.1646 -13.9117 -13.9117 -13.8913 -13.8913 -4.3518 -4.3518 -4.2661 -4.2661 -2.9293 -2.9293 -2.8409 -2.8409 -2.6622 -2.6622 -2.6067 -2.6067 -2.4865 -2.4865 -0.3955 -0.3955 0.4696 0.4696 0.5590 0.5590 0.8129 0.8129 1.2144 1.2144 1.3861 1.3861 1.5623 1.5623 1.8194 1.8194 1.9466 1.9466 2.0015 2.0015 2.1174 2.1174 3.0644 3.0644 3.0956 3.0956 3.1375 3.1375 3.8628 3.8628 7.9717 7.9717 8.7890 8.7890 8.8714 8.8714 8.9847 8.9847 9.8459 9.8459 k =-0.3550 0.5826-0.0000 ( 4452 PWs) bands (ev): -19.2062 -19.2062 -19.1649 -19.1649 -13.9105 -13.9105 -13.8905 -13.8905 -4.3489 -4.3489 -4.2693 -4.2693 -2.9161 -2.9161 -2.8506 -2.8506 -2.6580 -2.6580 -2.6229 -2.6229 -2.4985 -2.4985 -0.3854 -0.3854 0.4646 0.4646 0.5672 0.5672 0.8067 0.8067 1.2231 1.2231 1.3790 1.3790 1.5582 1.5582 1.8151 1.8151 1.9461 1.9461 2.0178 2.0178 2.1160 2.1160 3.0533 3.0533 3.0924 3.0924 3.1281 3.1281 3.8970 3.8970 7.9116 7.9116 8.7717 8.7717 8.9016 8.9016 9.0121 9.0121 9.8812 9.8812 k =-0.3489 0.5994-0.0000 ( 4460 PWs) bands (ev): -19.2045 -19.2045 -19.1653 -19.1653 -13.9092 -13.9092 -13.8897 -13.8897 -4.3463 -4.3463 -4.2725 -4.2725 -2.9026 -2.9026 -2.8603 -2.8603 -2.6542 -2.6542 -2.6376 -2.6376 -2.5110 -2.5110 -0.3753 -0.3753 0.4590 0.4590 0.5755 0.5755 0.8004 0.8004 1.2311 1.2311 1.3716 1.3716 1.5544 1.5544 1.8127 1.8127 1.9459 1.9459 2.0334 2.0334 2.1172 2.1172 3.0273 3.0273 3.0985 3.0985 3.1232 3.1232 3.9292 3.9292 7.8536 7.8536 8.7527 8.7527 8.9256 8.9256 9.0425 9.0425 9.9172 9.9172 k =-0.3429 0.6161-0.0000 ( 4452 PWs) bands (ev): -19.2028 -19.2028 -19.1657 -19.1657 -13.9080 -13.9080 -13.8889 -13.8889 -4.3441 -4.3441 -4.2756 -4.2756 -2.8892 -2.8892 -2.8693 -2.8693 -2.6592 -2.6592 -2.6427 -2.6427 -2.5239 -2.5239 -0.3653 -0.3653 0.4529 0.4529 0.5837 0.5837 0.7940 0.7940 1.2383 1.2383 1.3643 1.3643 1.5514 1.5514 1.8121 1.8121 1.9460 1.9460 2.0472 2.0472 2.1219 2.1219 2.9972 2.9972 3.1060 3.1060 3.1202 3.1202 3.9594 3.9594 7.7980 7.7980 8.7318 8.7318 8.9452 8.9452 9.0737 9.0737 9.9538 9.9538 k =-0.3369 0.6329-0.0000 ( 4456 PWs) bands (ev): -19.2011 -19.2011 -19.1662 -19.1662 -13.9068 -13.9068 -13.8882 -13.8882 -4.3423 -4.3423 -4.2787 -4.2787 -2.8829 -2.8829 -2.8705 -2.8705 -2.6732 -2.6732 -2.6379 -2.6379 -2.5372 -2.5372 -0.3555 -0.3555 0.4465 0.4465 0.5917 0.5917 0.7875 0.7875 1.2443 1.2443 1.3570 1.3570 1.5494 1.5494 1.8130 1.8130 1.9465 1.9465 2.0579 2.0579 2.1310 2.1310 2.9660 2.9660 3.1127 3.1127 3.1185 3.1185 3.9873 3.9873 7.7452 7.7452 8.7090 8.7090 8.9622 8.9622 9.1036 9.1036 9.9911 9.9911 k =-0.3308 0.6497-0.0000 ( 4452 PWs) bands (ev): -19.1994 -19.1994 -19.1668 -19.1668 -13.9057 -13.9057 -13.8875 -13.8875 -4.3410 -4.3410 -4.2817 -4.2817 -2.8900 -2.8900 -2.8576 -2.8576 -2.6881 -2.6881 -2.6316 -2.6316 -2.5509 -2.5509 -0.3458 -0.3458 0.4398 0.4398 0.5994 0.5994 0.7810 0.7810 1.2490 1.2490 1.3500 1.3500 1.5487 1.5487 1.8152 1.8152 1.9472 1.9472 2.0654 2.0654 2.1447 2.1447 2.9344 2.9344 3.1154 3.1154 3.1205 3.1205 4.0127 4.0127 7.6955 7.6955 8.6842 8.6842 8.9775 8.9775 9.1310 9.1310 10.0289 10.0289 k =-0.3248 0.6664-0.0000 ( 4460 PWs) bands (ev): -19.1977 -19.1977 -19.1674 -19.1674 -13.9045 -13.9045 -13.8868 -13.8868 -4.3402 -4.3402 -4.2846 -4.2846 -2.8980 -2.8980 -2.8428 -2.8428 -2.7027 -2.7027 -2.6249 -2.6249 -2.5648 -2.5648 -0.3364 -0.3364 0.4329 0.4329 0.6066 0.6066 0.7747 0.7747 1.2521 1.2521 1.3433 1.3433 1.5496 1.5496 1.8186 1.8186 1.9482 1.9482 2.0704 2.0704 2.1616 2.1616 2.9030 2.9030 3.1149 3.1149 3.1252 3.1252 4.0357 4.0357 7.6491 7.6491 8.6574 8.6574 8.9919 8.9919 9.1551 9.1551 10.0671 10.0671 k =-0.3187 0.6832-0.0000 ( 4464 PWs) bands (ev): -19.1960 -19.1960 -19.1680 -19.1680 -13.9034 -13.9034 -13.8861 -13.8861 -4.3400 -4.3400 -4.2874 -4.2874 -2.9054 -2.9054 -2.8275 -2.8275 -2.7167 -2.7167 -2.6184 -2.6184 -2.5786 -2.5786 -0.3272 -0.3272 0.4260 0.4260 0.6133 0.6133 0.7686 0.7686 1.2538 1.2538 1.3370 1.3370 1.5523 1.5523 1.8229 1.8229 1.9494 1.9494 2.0740 2.0740 2.1806 2.1806 2.8720 2.8720 3.1145 3.1145 3.1292 3.1292 4.0559 4.0559 7.6063 7.6063 8.6285 8.6285 9.0057 9.0057 9.1759 9.1759 10.1056 10.1056 k =-0.3127 0.7000-0.0000 ( 4466 PWs) bands (ev): -19.1944 -19.1944 -19.1687 -19.1687 -13.9023 -13.9023 -13.8855 -13.8855 -4.3403 -4.3403 -4.2901 -4.2901 -2.9121 -2.9121 -2.8118 -2.8118 -2.7302 -2.7302 -2.6141 -2.6141 -2.5904 -2.5904 -0.3184 -0.3184 0.4190 0.4190 0.6195 0.6195 0.7628 0.7628 1.2542 1.2542 1.3310 1.3310 1.5566 1.5566 1.8281 1.8281 1.9508 1.9508 2.0770 2.0770 2.2008 2.2008 2.8416 2.8416 3.1146 3.1146 3.1321 3.1321 4.0733 4.0733 7.5674 7.5674 8.5976 8.5976 9.0190 9.0190 9.1934 9.1934 10.1443 10.1443 k =-0.3066 0.7167-0.0000 ( 4462 PWs) bands (ev): -19.1927 -19.1927 -19.1695 -19.1695 -13.9013 -13.9013 -13.8849 -13.8849 -4.3413 -4.3413 -4.2927 -4.2927 -2.9178 -2.9178 -2.7959 -2.7959 -2.7431 -2.7431 -2.6185 -2.6185 -2.5937 -2.5937 -0.3099 -0.3099 0.4121 0.4121 0.6249 0.6249 0.7574 0.7574 1.2535 1.2535 1.3254 1.3254 1.5624 1.5624 1.8339 1.8339 1.9525 1.9525 2.0800 2.0800 2.2214 2.2214 2.8120 2.8120 3.1151 3.1151 3.1340 3.1340 4.0878 4.0878 7.5327 7.5327 8.5646 8.5646 9.0320 9.0320 9.2081 9.2081 10.1830 10.1830 k =-0.3006 0.7335-0.0000 ( 4440 PWs) bands (ev): -19.1910 -19.1910 -19.1704 -19.1704 -13.9003 -13.9003 -13.8843 -13.8843 -4.3429 -4.3429 -4.2951 -4.2951 -2.9226 -2.9226 -2.7796 -2.7796 -2.7552 -2.7552 -2.6315 -2.6315 -2.5887 -2.5887 -0.3018 -0.3018 0.4054 0.4054 0.6297 0.6297 0.7526 0.7526 1.2519 1.2519 1.3202 1.3202 1.5696 1.5696 1.8402 1.8402 1.9544 1.9544 2.0829 2.0829 2.2421 2.2421 2.7835 2.7835 3.1161 3.1161 3.1349 3.1349 4.0994 4.0994 7.5022 7.5022 8.5297 8.5297 9.0447 9.0447 9.2203 9.2203 10.2216 10.2216 k =-0.2946 0.7503-0.0000 ( 4436 PWs) bands (ev): -19.1894 -19.1894 -19.1713 -19.1713 -13.8994 -13.8994 -13.8838 -13.8838 -4.3451 -4.3451 -4.2974 -4.2974 -2.9262 -2.9262 -2.7667 -2.7667 -2.7631 -2.7631 -2.6469 -2.6469 -2.5816 -2.5816 -0.2942 -0.2942 0.3989 0.3989 0.6336 0.6336 0.7484 0.7484 1.2497 1.2497 1.3152 1.3152 1.5776 1.5776 1.8470 1.8470 1.9566 1.9566 2.0860 2.0860 2.2622 2.2622 2.7560 2.7560 3.1173 3.1173 3.1352 3.1352 4.1077 4.1077 7.4762 7.4762 8.4929 8.4929 9.0571 9.0571 9.2305 9.2305 10.2597 10.2597 k =-0.2885 0.7670-0.0000 ( 4440 PWs) bands (ev): -19.1878 -19.1878 -19.1723 -19.1723 -13.8985 -13.8985 -13.8833 -13.8833 -4.3481 -4.3481 -4.2996 -4.2996 -2.9287 -2.9287 -2.7773 -2.7773 -2.7466 -2.7466 -2.6631 -2.6631 -2.5739 -2.5739 -0.2870 -0.2870 0.3927 0.3927 0.6366 0.6366 0.7449 0.7449 1.2472 1.2472 1.3105 1.3105 1.5862 1.5862 1.8540 1.8540 1.9592 1.9592 2.0893 2.0893 2.2815 2.2815 2.7300 2.7300 3.1179 3.1179 3.1356 3.1356 4.1129 4.1129 7.4549 7.4549 8.4543 8.4543 9.0693 9.0693 9.2391 9.2391 10.2971 10.2971 k =-0.2825 0.7838-0.0000 ( 4438 PWs) bands (ev): -19.1862 -19.1862 -19.1733 -19.1733 -13.8977 -13.8977 -13.8829 -13.8829 -4.3517 -4.3517 -4.3017 -4.3017 -2.9301 -2.9301 -2.7870 -2.7870 -2.7297 -2.7297 -2.6799 -2.6799 -2.5659 -2.5659 -0.2804 -0.2804 0.3868 0.3868 0.6387 0.6387 0.7421 0.7421 1.2446 1.2446 1.3060 1.3060 1.5951 1.5951 1.8611 1.8611 1.9621 1.9621 2.0928 2.0928 2.2997 2.2997 2.7056 2.7056 3.1170 3.1170 3.1374 3.1374 4.1149 4.1149 7.4382 7.4382 8.4141 8.4141 9.0812 9.0812 9.2465 9.2465 10.3333 10.3333 k =-0.2825 0.7838-0.0000 ( 4438 PWs) bands (ev): -19.1862 -19.1862 -19.1733 -19.1733 -13.8977 -13.8977 -13.8829 -13.8829 -4.3517 -4.3517 -4.3017 -4.3017 -2.9301 -2.9301 -2.7870 -2.7870 -2.7297 -2.7297 -2.6799 -2.6799 -2.5659 -2.5659 -0.2804 -0.2804 0.3868 0.3868 0.6387 0.6387 0.7421 0.7421 1.2446 1.2446 1.3060 1.3060 1.5951 1.5951 1.8611 1.8611 1.9621 1.9621 2.0928 2.0928 2.2997 2.2997 2.7056 2.7056 3.1170 3.1170 3.1374 3.1374 4.1149 4.1149 7.4382 7.4382 8.4141 8.4141 9.0812 9.0812 9.2465 9.2465 10.3333 10.3333 k =-0.2825 0.7838 0.0180 ( 4438 PWs) bands (ev): -19.1862 -19.1862 -19.1733 -19.1733 -13.8977 -13.8977 -13.8829 -13.8829 -4.3516 -4.3516 -4.3017 -4.3017 -2.9320 -2.9320 -2.7910 -2.7910 -2.7274 -2.7274 -2.6761 -2.6761 -2.5650 -2.5650 -0.2858 -0.2858 0.3882 0.3882 0.6413 0.6413 0.7430 0.7430 1.2417 1.2417 1.3086 1.3086 1.5957 1.5957 1.8608 1.8608 1.9626 1.9626 2.0930 2.0930 2.2998 2.2998 2.7049 2.7049 3.1163 3.1163 3.1375 3.1375 4.1141 4.1141 7.4392 7.4392 8.4088 8.4088 9.0789 9.0789 9.2507 9.2507 10.3378 10.3378 k =-0.2825 0.7838 0.0361 ( 4427 PWs) bands (ev): -19.1862 -19.1862 -19.1734 -19.1734 -13.8976 -13.8976 -13.8829 -13.8829 -4.3514 -4.3514 -4.3017 -4.3017 -2.9374 -2.9374 -2.8014 -2.8014 -2.7205 -2.7205 -2.6658 -2.6658 -2.5620 -2.5620 -0.3016 -0.3016 0.3923 0.3923 0.6488 0.6488 0.7461 0.7461 1.2342 1.2342 1.3152 1.3152 1.5974 1.5974 1.8596 1.8596 1.9640 1.9640 2.0936 2.0936 2.3002 2.3002 2.7030 2.7030 3.1141 3.1141 3.1378 3.1378 4.1118 4.1118 7.4422 7.4422 8.3933 8.3933 9.0718 9.0718 9.2632 9.2632 10.3509 10.3509 k =-0.2825 0.7838 0.0541 ( 4431 PWs) bands (ev): -19.1861 -19.1861 -19.1734 -19.1734 -13.8976 -13.8976 -13.8830 -13.8830 -4.3511 -4.3511 -4.3019 -4.3019 -2.9457 -2.9457 -2.8159 -2.8159 -2.7097 -2.7097 -2.6517 -2.6517 -2.5572 -2.5572 -0.3270 -0.3270 0.3989 0.3989 0.6599 0.6599 0.7517 0.7517 1.2241 1.2241 1.3238 1.3238 1.6002 1.6002 1.8576 1.8576 1.9661 1.9661 2.0946 2.0946 2.3008 2.3008 2.6997 2.6997 3.1105 3.1105 3.1382 3.1382 4.1078 4.1078 7.4472 7.4472 8.3691 8.3691 9.0594 9.0594 9.2832 9.2832 10.3722 10.3722 k =-0.2825 0.7838 0.0721 ( 4437 PWs) bands (ev): -19.1860 -19.1860 -19.1735 -19.1735 -13.8975 -13.8975 -13.8830 -13.8830 -4.3507 -4.3507 -4.3020 -4.3020 -2.9561 -2.9561 -2.8325 -2.8325 -2.6960 -2.6960 -2.6357 -2.6357 -2.5504 -2.5504 -0.3609 -0.3609 0.4078 0.4078 0.6729 0.6729 0.7604 0.7604 1.2127 1.2127 1.3331 1.3331 1.6041 1.6041 1.8549 1.8549 1.9689 1.9689 2.0960 2.0960 2.3017 2.3017 2.6952 2.6952 3.1057 3.1057 3.1388 3.1388 4.1022 4.1022 7.4542 7.4542 8.3380 8.3380 9.0420 9.0420 9.3091 9.3091 10.4008 10.4008 k =-0.2825 0.7838 0.0902 ( 4435 PWs) bands (ev): -19.1859 -19.1859 -19.1736 -19.1736 -13.8973 -13.8973 -13.8831 -13.8831 -4.3501 -4.3501 -4.3023 -4.3023 -2.9679 -2.9679 -2.8503 -2.8503 -2.6799 -2.6799 -2.6186 -2.6186 -2.5417 -2.5417 -0.4018 -0.4018 0.4190 0.4190 0.6859 0.6859 0.7730 0.7730 1.2008 1.2008 1.3425 1.3425 1.6091 1.6091 1.8516 1.8516 1.9721 1.9721 2.0978 2.0978 2.3029 2.3029 2.6896 2.6896 3.0997 3.0997 3.1398 3.1398 4.0950 4.0950 7.4629 7.4629 8.3020 8.3020 9.0202 9.0202 9.3387 9.3387 10.4360 10.4360 k =-0.2825 0.7838 0.1082 ( 4433 PWs) bands (ev): -19.1858 -19.1858 -19.1737 -19.1737 -13.8972 -13.8972 -13.8833 -13.8833 -4.3494 -4.3494 -4.3025 -4.3025 -2.9806 -2.9806 -2.8686 -2.8686 -2.6623 -2.6623 -2.6012 -2.6012 -2.5309 -2.5309 -0.4485 -0.4485 0.4321 0.4321 0.6974 0.6974 0.7896 0.7896 1.1889 1.1889 1.3517 1.3517 1.6149 1.6149 1.8476 1.8476 1.9757 1.9757 2.1000 2.1000 2.3045 2.3045 2.6829 2.6829 3.0926 3.0926 3.1412 3.1412 4.0861 4.0861 7.4735 7.4735 8.2627 8.2627 8.9950 8.9950 9.3698 9.3698 10.4763 10.4763 k =-0.2825 0.7838 0.1263 ( 4435 PWs) bands (ev): -19.1857 -19.1857 -19.1738 -19.1738 -13.8970 -13.8970 -13.8834 -13.8834 -4.3486 -4.3486 -4.3028 -4.3028 -2.9936 -2.9936 -2.8870 -2.8870 -2.6435 -2.6435 -2.5837 -2.5837 -2.5180 -2.5180 -0.5000 -0.5000 0.4472 0.4472 0.7071 0.7071 0.8093 0.8093 1.1774 1.1774 1.3605 1.3605 1.6216 1.6216 1.8432 1.8432 1.9792 1.9792 2.1027 2.1027 2.3065 2.3065 2.6753 2.6753 3.0843 3.0843 3.1433 3.1433 4.0757 4.0757 7.4856 7.4856 8.2217 8.2217 8.9674 8.9674 9.3999 9.3999 10.5203 10.5203 k =-0.2825 0.7838 0.1443 ( 4430 PWs) bands (ev): -19.1855 -19.1855 -19.1740 -19.1740 -13.8968 -13.8968 -13.8836 -13.8836 -4.3478 -4.3478 -4.3032 -4.3032 -3.0068 -3.0068 -2.9054 -2.9054 -2.6242 -2.6242 -2.5665 -2.5665 -2.5028 -2.5028 -0.5552 -0.5552 0.4641 0.4641 0.7153 0.7153 0.8306 0.8306 1.1665 1.1665 1.3688 1.3688 1.6287 1.6287 1.8383 1.8383 1.9826 1.9826 2.1060 2.1060 2.3089 2.3089 2.6670 2.6670 3.0750 3.0750 3.1464 3.1464 4.0635 4.0635 7.4992 7.4992 8.1800 8.1800 8.9385 8.9385 9.4273 9.4273 10.5639 10.5639 k =-0.2825 0.7838 0.1623 ( 4435 PWs) bands (ev): -19.1853 -19.1853 -19.1741 -19.1741 -13.8966 -13.8966 -13.8838 -13.8838 -4.3468 -4.3468 -4.3036 -4.3036 -3.0198 -3.0198 -2.9236 -2.9236 -2.6048 -2.6048 -2.5495 -2.5495 -2.4852 -2.4852 -0.6134 -0.6134 0.4827 0.4827 0.7227 0.7227 0.8519 0.8519 1.1565 1.1565 1.3765 1.3765 1.6361 1.6361 1.8332 1.8332 1.9853 1.9853 2.1097 2.1097 2.3118 2.3118 2.6582 2.6582 3.0645 3.0645 3.1507 3.1507 4.0497 4.0497 7.5141 7.5141 8.1385 8.1385 8.9091 8.9091 9.4500 9.4500 10.5928 10.5928 k =-0.2825 0.7838 0.1804 ( 4452 PWs) bands (ev): -19.1851 -19.1851 -19.1743 -19.1743 -13.8964 -13.8964 -13.8840 -13.8840 -4.3457 -4.3457 -4.3041 -4.3041 -3.0326 -3.0326 -2.9414 -2.9414 -2.5857 -2.5857 -2.5331 -2.5331 -2.4650 -2.4650 -0.6740 -0.6740 0.5029 0.5029 0.7296 0.7296 0.8720 0.8720 1.1479 1.1479 1.3838 1.3838 1.6432 1.6432 1.8280 1.8280 1.9872 1.9872 2.1139 2.1139 2.3152 2.3152 2.6491 2.6491 3.0530 3.0530 3.1564 3.1564 4.0341 4.0341 7.5300 7.5300 8.0980 8.0980 8.8801 8.8801 9.4667 9.4667 10.6008 10.6008 k =-0.2825 0.7838 0.1984 ( 4442 PWs) bands (ev): -19.1849 -19.1849 -19.1745 -19.1745 -13.8961 -13.8961 -13.8842 -13.8842 -4.3445 -4.3445 -4.3046 -4.3046 -3.0448 -3.0448 -2.9587 -2.9587 -2.5672 -2.5672 -2.5172 -2.5172 -2.4420 -2.4420 -0.7363 -0.7363 0.5248 0.5248 0.7365 0.7365 0.8898 0.8898 1.1408 1.1408 1.3906 1.3906 1.6498 1.6498 1.8231 1.8231 1.9880 1.9880 2.1188 2.1188 2.3193 2.3193 2.6401 2.6401 3.0405 3.0405 3.1638 3.1638 4.0169 4.0169 7.5467 7.5467 8.0589 8.0589 8.8523 8.8523 9.4763 9.4763 10.6052 10.6052 k =-0.2825 0.7838 0.2164 ( 4444 PWs) bands (ev): -19.1847 -19.1847 -19.1748 -19.1748 -13.8958 -13.8958 -13.8845 -13.8845 -4.3433 -4.3433 -4.3052 -4.3052 -3.0566 -3.0566 -2.9755 -2.9755 -2.5496 -2.5496 -2.5021 -2.5021 -2.4161 -2.4161 -0.8000 -0.8000 0.5480 0.5480 0.7435 0.7435 0.9045 0.9045 1.1356 1.1356 1.3970 1.3970 1.6551 1.6551 1.8186 1.8186 1.9875 1.9875 2.1242 2.1242 2.3240 2.3240 2.6315 2.6315 3.0270 3.0270 3.1731 3.1731 3.9981 3.9981 7.5640 7.5640 8.0218 8.0218 8.8263 8.8263 9.4782 9.4782 10.6125 10.6125 k =-0.2825 0.7838 0.2345 ( 4450 PWs) bands (ev): -19.1844 -19.1844 -19.1750 -19.1750 -13.8955 -13.8955 -13.8847 -13.8847 -4.3419 -4.3419 -4.3058 -4.3058 -3.0677 -3.0677 -2.9918 -2.9918 -2.5330 -2.5330 -2.4877 -2.4877 -2.3874 -2.3874 -0.8647 -0.8647 0.5724 0.5724 0.7510 0.7510 0.9156 0.9156 1.1324 1.1324 1.4030 1.4030 1.6589 1.6589 1.8148 1.8148 1.9854 1.9854 2.1301 2.1301 2.3292 2.3292 2.6237 2.6237 3.0126 3.0126 3.1844 3.1844 3.9775 3.9775 7.5814 7.5814 7.9868 7.9868 8.8028 8.8028 9.4720 9.4720 10.6243 10.6243 k =-0.2825 0.7838 0.2525 ( 4460 PWs) bands (ev): -19.1841 -19.1841 -19.1753 -19.1753 -13.8952 -13.8952 -13.8850 -13.8850 -4.3406 -4.3406 -4.3065 -4.3065 -3.0781 -3.0781 -3.0073 -3.0073 -2.5173 -2.5173 -2.4743 -2.4743 -2.3559 -2.3559 -0.9301 -0.9301 0.5976 0.5976 0.7590 0.7590 0.9230 0.9230 1.1312 1.1312 1.4086 1.4086 1.6605 1.6605 1.8118 1.8118 1.9817 1.9817 2.1366 2.1366 2.3347 2.3347 2.6172 2.6172 2.9973 2.9973 3.1979 3.1979 3.9553 3.9553 7.5988 7.5988 7.9541 7.9541 8.7823 8.7823 9.4580 9.4580 10.6409 10.6409 k =-0.2825 0.7838 0.2705 ( 4462 PWs) bands (ev): -19.1839 -19.1839 -19.1756 -19.1756 -13.8949 -13.8949 -13.8854 -13.8854 -4.3392 -4.3392 -4.3073 -4.3073 -3.0877 -3.0877 -3.0222 -3.0222 -2.5026 -2.5026 -2.4618 -2.4618 -2.3218 -2.3218 -0.9958 -0.9958 0.6233 0.6233 0.7680 0.7680 0.9269 0.9269 1.1317 1.1317 1.4138 1.4138 1.6598 1.6598 1.8099 1.8099 1.9766 1.9766 2.1435 2.1435 2.3403 2.3403 2.6123 2.6123 2.9811 2.9811 3.2137 3.2137 3.9315 3.9315 7.6157 7.6157 7.9241 7.9241 8.7655 8.7655 9.4368 9.4368 10.6620 10.6620 k =-0.2825 0.7838 0.2886 ( 4464 PWs) bands (ev): -19.1835 -19.1835 -19.1758 -19.1758 -13.8945 -13.8945 -13.8857 -13.8857 -4.3377 -4.3377 -4.3081 -4.3081 -3.0965 -3.0965 -3.0362 -3.0362 -2.4888 -2.4888 -2.4504 -2.4504 -2.2853 -2.2853 -1.0618 -1.0618 0.6488 0.6488 0.7782 0.7782 0.9277 0.9277 1.1332 1.1332 1.4186 1.4186 1.6566 1.6566 1.8089 1.8089 1.9703 1.9703 2.1510 2.1510 2.3456 2.3456 2.6095 2.6095 2.9642 2.9642 3.2317 3.2317 3.9062 3.9062 7.6318 7.6318 7.8967 7.8967 8.7528 8.7528 9.4093 9.4093 10.6872 10.6873 k =-0.2825 0.7838 0.3066 ( 4468 PWs) bands (ev): -19.1832 -19.1832 -19.1761 -19.1761 -13.8941 -13.8941 -13.8860 -13.8860 -4.3362 -4.3362 -4.3089 -4.3089 -3.1045 -3.1045 -3.0494 -3.0494 -2.4760 -2.4760 -2.4400 -2.4400 -2.2464 -2.2464 -1.1277 -1.1277 0.6736 0.6736 0.7900 0.7900 0.9263 0.9263 1.1351 1.1351 1.4231 1.4231 1.6510 1.6510 1.8085 1.8085 1.9630 1.9630 2.1588 2.1588 2.3504 2.3504 2.6091 2.6091 2.9465 2.9465 3.2521 3.2521 3.8793 3.8793 7.6468 7.6468 7.8720 7.8720 8.7447 8.7447 9.3762 9.3762 10.7159 10.7159 k =-0.2825 0.7838 0.3246 ( 4468 PWs) bands (ev): -19.1829 -19.1829 -19.1765 -19.1765 -13.8938 -13.8938 -13.8864 -13.8864 -4.3347 -4.3347 -4.3099 -4.3099 -3.1115 -3.1115 -3.0618 -3.0618 -2.4640 -2.4640 -2.4308 -2.4308 -2.2054 -2.2054 -1.1934 -1.1934 0.6966 0.6966 0.8041 0.8041 0.9233 0.9233 1.1365 1.1365 1.4274 1.4274 1.6433 1.6433 1.8085 1.8085 1.9553 1.9553 2.1668 2.1668 2.3543 2.3543 2.6115 2.6115 2.9282 2.9282 3.2746 3.2746 3.8511 3.8511 7.6604 7.6604 7.8500 7.8500 8.7415 8.7415 9.3388 9.3388 10.7474 10.7474 k =-0.2825 0.7838 0.3427 ( 4477 PWs) bands (ev): -19.1826 -19.1826 -19.1768 -19.1768 -13.8934 -13.8934 -13.8867 -13.8867 -4.3332 -4.3332 -4.3108 -4.3108 -3.1175 -3.1175 -3.0732 -3.0732 -2.4529 -2.4529 -2.4226 -2.4226 -2.1623 -2.1623 -1.2588 -1.2588 0.7169 0.7169 0.8204 0.8204 0.9198 0.9198 1.1367 1.1367 1.4314 1.4314 1.6339 1.6339 1.8085 1.8085 1.9475 1.9475 2.1751 2.1751 2.3568 2.3568 2.6167 2.6167 2.9093 2.9093 3.2993 3.2993 3.8215 3.8215 7.6724 7.6724 7.8307 7.8307 8.7434 8.7434 9.2978 9.2978 10.7810 10.7810 k =-0.2825 0.7838 0.3607 ( 4473 PWs) bands (ev): -19.1822 -19.1822 -19.1771 -19.1771 -13.8930 -13.8930 -13.8871 -13.8871 -4.3316 -4.3316 -4.3119 -4.3119 -3.1226 -3.1226 -3.0838 -3.0838 -2.4428 -2.4428 -2.4156 -2.4156 -2.1172 -2.1172 -1.3236 -1.3236 0.7343 0.7343 0.8384 0.8384 0.9173 0.9173 1.1353 1.1353 1.4355 1.4355 1.6231 1.6231 1.8084 1.8084 1.9402 1.9402 2.1833 2.1833 2.3581 2.3581 2.6249 2.6249 2.8900 2.8900 3.3260 3.3260 3.7907 3.7907 7.6826 7.6826 7.8142 7.8142 8.7506 8.7506 9.2543 9.2543 10.8162 10.8162 k =-0.2825 0.7838 0.3788 ( 4473 PWs) bands (ev): -19.1819 -19.1819 -19.1775 -19.1775 -13.8926 -13.8926 -13.8875 -13.8875 -4.3301 -4.3301 -4.3129 -4.3129 -3.1267 -3.1267 -3.0933 -3.0933 -2.4336 -2.4336 -2.4099 -2.4099 -2.0703 -2.0703 -1.3878 -1.3878 0.7486 0.7486 0.8551 0.8551 0.9185 0.9185 1.1314 1.1314 1.4396 1.4396 1.6116 1.6116 1.8080 1.8080 1.9337 1.9337 2.1913 2.1913 2.3581 2.3581 2.6356 2.6356 2.8702 2.8702 3.3544 3.3544 3.7589 3.7589 7.6910 7.6910 7.8002 7.8002 8.7631 8.7631 9.2090 9.2090 10.8526 10.8526 k =-0.2825 0.7838 0.3968 ( 4473 PWs) bands (ev): -19.1815 -19.1815 -19.1778 -19.1778 -13.8921 -13.8921 -13.8879 -13.8879 -4.3285 -4.3285 -4.3141 -4.3141 -3.1298 -3.1298 -3.1019 -3.1019 -2.4255 -2.4255 -2.4053 -2.4053 -2.0215 -2.0215 -1.4512 -1.4512 0.7604 0.7604 0.8655 0.8655 0.9279 0.9279 1.1249 1.1249 1.4439 1.4439 1.5996 1.5996 1.8073 1.8073 1.9281 1.9281 2.1989 2.1989 2.3571 2.3571 2.6487 2.6487 2.8502 2.8502 3.3845 3.3845 3.7262 3.7262 7.6976 7.6976 7.7888 7.7888 8.7808 8.7808 9.1629 9.1629 10.8895 10.8895 k =-0.2825 0.7838 0.4148 ( 4464 PWs) bands (ev): -19.1811 -19.1811 -19.1782 -19.1782 -13.8917 -13.8917 -13.8883 -13.8883 -4.3270 -4.3270 -4.3152 -4.3152 -3.1318 -3.1318 -3.1094 -3.1094 -2.4183 -2.4183 -2.4019 -2.4019 -1.9711 -1.9711 -1.5137 -1.5137 0.7702 0.7702 0.8680 0.8680 0.9465 0.9465 1.1154 1.1154 1.4484 1.4484 1.5879 1.5879 1.8065 1.8065 1.9236 1.9236 2.2058 2.2058 2.3553 2.3553 2.6636 2.6636 2.8302 2.8302 3.4159 3.4159 3.6927 3.6927 7.7025 7.7025 7.7797 7.7797 8.8033 8.8033 9.1166 9.1166 10.9267 10.9267 k =-0.2825 0.7838 0.4329 ( 4462 PWs) bands (ev): -19.1808 -19.1808 -19.1785 -19.1785 -13.8913 -13.8913 -13.8887 -13.8887 -4.3256 -4.3256 -4.3164 -4.3164 -3.1327 -3.1327 -3.1159 -3.1159 -2.4123 -2.4123 -2.3997 -2.3997 -1.9189 -1.9189 -1.5753 -1.5753 0.7782 0.7782 0.8661 0.8661 0.9701 0.9701 1.1027 1.1027 1.4527 1.4527 1.5772 1.5772 1.8056 1.8056 1.9202 1.9202 2.2117 2.2117 2.3533 2.3533 2.6798 2.6798 2.8104 2.8104 3.4483 3.4483 3.6587 3.6587 7.7059 7.7059 7.7730 7.7730 8.8303 8.8303 9.0709 9.0709 10.9638 10.9638 k =-0.2825 0.7838 0.4509 ( 4470 PWs) bands (ev): -19.1804 -19.1804 -19.1789 -19.1789 -13.8909 -13.8909 -13.8891 -13.8891 -4.3242 -4.3242 -4.3176 -4.3176 -3.1326 -3.1326 -3.1214 -3.1214 -2.4074 -2.4074 -2.3987 -2.3987 -1.8652 -1.8652 -1.6357 -1.6357 0.7842 0.7842 0.8631 0.8631 0.9949 0.9949 1.0871 1.0871 1.4566 1.4566 1.5684 1.5684 1.8048 1.8048 1.9178 1.9178 2.2163 2.2163 2.3514 2.3514 2.6963 2.6963 2.7914 2.7914 3.4814 3.4814 3.6245 3.6245 7.7081 7.7081 7.7683 7.7683 8.8610 8.8610 9.0267 9.0267 11.0002 11.0002 k =-0.2825 0.7838 0.4689 ( 4464 PWs) bands (ev): -19.1800 -19.1800 -19.1793 -19.1793 -13.8904 -13.8904 -13.8895 -13.8895 -4.3231 -4.3231 -4.3186 -4.3186 -3.1315 -3.1315 -3.1258 -3.1258 -2.4037 -2.4037 -2.3988 -2.3988 -1.8101 -1.8101 -1.6949 -1.6949 0.7881 0.7881 0.8608 0.8608 1.0187 1.0187 1.0694 1.0694 1.4595 1.4595 1.5626 1.5626 1.8043 1.8043 1.9165 1.9165 2.2192 2.2192 2.3500 2.3500 2.7112 2.7112 2.7752 2.7752 3.5141 3.5141 3.5912 3.5912 7.7093 7.7093 7.7656 7.7656 8.8936 8.8936 8.9859 8.9859 11.0357 11.0357 k =-0.2825 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1797 -19.1797 -19.1796 -19.1796 -13.8901 -13.8901 -13.8898 -13.8898 -4.3226 -4.3226 -4.3191 -4.3191 -3.1297 -3.1297 -3.1286 -3.1286 -2.4020 -2.4020 -2.3994 -2.3994 -1.7589 -1.7589 -1.7475 -1.7475 0.7895 0.7895 0.8598 0.8598 1.0337 1.0337 1.0565 1.0565 1.4605 1.4605 1.5605 1.5605 1.8041 1.8041 1.9160 1.9160 2.2202 2.2202 2.3495 2.3495 2.7183 2.7183 2.7675 2.7675 3.5362 3.5362 3.5689 3.5689 7.7097 7.7097 7.7648 7.7648 8.9155 8.9155 8.9612 8.9612 11.0657 11.0710 k =-0.2825 0.7838 0.4870 ( 4468 PWs) bands (ev): -19.1797 -19.1797 -19.1796 -19.1796 -13.8901 -13.8901 -13.8898 -13.8898 -4.3226 -4.3226 -4.3191 -4.3191 -3.1297 -3.1297 -3.1286 -3.1286 -2.4020 -2.4020 -2.3994 -2.3994 -1.7589 -1.7589 -1.7475 -1.7475 0.7895 0.7895 0.8598 0.8598 1.0337 1.0337 1.0565 1.0565 1.4605 1.4605 1.5605 1.5605 1.8041 1.8041 1.9160 1.9160 2.2202 2.2202 2.3495 2.3495 2.7183 2.7183 2.7675 2.7675 3.5362 3.5362 3.5689 3.5689 7.7097 7.7097 7.7648 7.7648 8.9155 8.9155 8.9612 8.9612 11.0656 11.0656 k =-0.2885 0.7670 0.4870 ( 4464 PWs) bands (ev): -19.1800 -19.1800 -19.1799 -19.1799 -13.8908 -13.8908 -13.8905 -13.8905 -4.3202 -4.3202 -4.3167 -4.3167 -3.1222 -3.1222 -3.1212 -3.1212 -2.4032 -2.4032 -2.4006 -2.4006 -1.7682 -1.7682 -1.7568 -1.7568 0.7912 0.7912 0.8634 0.8634 1.0321 1.0321 1.0597 1.0597 1.4607 1.4607 1.5597 1.5597 1.8036 1.8036 1.9142 1.9142 2.2204 2.2204 2.3536 2.3536 2.7293 2.7293 2.7776 2.7776 3.5145 3.5145 3.5482 3.5482 7.7468 7.7468 7.8000 7.8000 8.8903 8.8903 8.9367 8.9367 11.0683 11.0686 k =-0.2946 0.7503 0.4870 ( 4464 PWs) bands (ev): -19.1803 -19.1803 -19.1802 -19.1802 -13.8914 -13.8914 -13.8912 -13.8912 -4.3180 -4.3180 -4.3145 -4.3145 -3.1138 -3.1138 -3.1130 -3.1130 -2.4045 -2.4045 -2.4020 -2.4020 -1.7776 -1.7776 -1.7663 -1.7663 0.7932 0.7932 0.8673 0.8673 1.0305 1.0305 1.0630 1.0630 1.4607 1.4607 1.5590 1.5590 1.8030 1.8030 1.9110 1.9110 2.2225 2.2225 2.3583 2.3583 2.7389 2.7389 2.7862 2.7862 3.4934 3.4934 3.5280 3.5280 7.7821 7.7821 7.8333 7.8333 8.8677 8.8677 8.9143 8.9143 11.0731 11.0755 k =-0.3006 0.7335 0.4870 ( 4468 PWs) bands (ev): -19.1806 -19.1806 -19.1805 -19.1805 -13.8922 -13.8922 -13.8919 -13.8919 -4.3161 -4.3161 -4.3126 -4.3126 -3.1045 -3.1045 -3.1038 -3.1038 -2.4060 -2.4060 -2.4034 -2.4034 -1.7872 -1.7872 -1.7759 -1.7759 0.7957 0.7957 0.8715 0.8715 1.0291 1.0291 1.0663 1.0663 1.4607 1.4607 1.5583 1.5583 1.8022 1.8022 1.9065 1.9065 2.2263 2.2263 2.3636 2.3636 2.7471 2.7471 2.7932 2.7932 3.4732 3.4732 3.5085 3.5085 7.8150 7.8150 7.8638 7.8638 8.8484 8.8484 8.8948 8.8948 11.0793 11.0795 k =-0.3066 0.7167 0.4870 ( 4470 PWs) bands (ev): -19.1810 -19.1810 -19.1809 -19.1809 -13.8930 -13.8930 -13.8927 -13.8927 -4.3144 -4.3144 -4.3110 -4.3110 -3.0944 -3.0944 -3.0938 -3.0938 -2.4075 -2.4075 -2.4050 -2.4050 -1.7968 -1.7968 -1.7857 -1.7857 0.7984 0.7984 0.8761 0.8761 1.0278 1.0278 1.0696 1.0696 1.4605 1.4605 1.5576 1.5576 1.8012 1.8012 1.9007 1.9007 2.2318 2.2318 2.3695 2.3695 2.7537 2.7537 2.7985 2.7985 3.4540 3.4540 3.4898 3.4898 7.8449 7.8449 7.8909 7.8909 8.8332 8.8332 8.8789 8.8789 11.0844 11.0851 k =-0.3127 0.7000 0.4870 ( 4462 PWs) bands (ev): -19.1815 -19.1815 -19.1814 -19.1814 -13.8938 -13.8938 -13.8936 -13.8936 -4.3130 -4.3130 -4.3095 -4.3095 -3.0834 -3.0834 -3.0831 -3.0831 -2.4092 -2.4092 -2.4066 -2.4066 -1.8065 -1.8065 -1.7956 -1.7956 0.8015 0.8015 0.8809 0.8809 1.0266 1.0266 1.0729 1.0729 1.4604 1.4604 1.5571 1.5571 1.8000 1.8000 1.8937 1.8937 2.2390 2.2390 2.3761 2.3761 2.7590 2.7590 2.8020 2.8020 3.4360 3.4360 3.4720 3.4720 7.8709 7.8709 7.9136 7.9136 8.8231 8.8231 8.8674 8.8674 11.0904 11.0932 k =-0.3187 0.6832 0.4870 ( 4462 PWs) bands (ev): -19.1820 -19.1820 -19.1819 -19.1819 -13.8947 -13.8947 -13.8945 -13.8945 -4.3117 -4.3117 -4.3083 -4.3083 -3.0718 -3.0718 -3.0715 -3.0715 -2.4109 -2.4109 -2.4083 -2.4083 -1.8162 -1.8162 -1.8055 -1.8055 0.8048 0.8048 0.8858 0.8858 1.0256 1.0256 1.0762 1.0762 1.4602 1.4602 1.5568 1.5568 1.7985 1.7985 1.8855 1.8855 2.2474 2.2474 2.3831 2.3831 2.7627 2.7627 2.8038 2.8038 3.4195 3.4195 3.4553 3.4553 7.8923 7.8923 7.9313 7.9313 8.8188 8.8188 8.8610 8.8610 11.0967 11.0969 k =-0.3248 0.6664 0.4870 ( 4466 PWs) bands (ev): -19.1825 -19.1825 -19.1824 -19.1824 -13.8956 -13.8956 -13.8954 -13.8954 -4.3107 -4.3107 -4.3073 -4.3073 -3.0595 -3.0595 -3.0594 -3.0594 -2.4127 -2.4127 -2.4101 -2.4101 -1.8260 -1.8260 -1.8154 -1.8154 0.8084 0.8084 0.8909 0.8909 1.0249 1.0249 1.0794 1.0794 1.4600 1.4600 1.5565 1.5565 1.7969 1.7969 1.8762 1.8762 2.2570 2.2570 2.3904 2.3904 2.7650 2.7650 2.8037 2.8037 3.4044 3.4044 3.4398 3.4398 7.9085 7.9085 7.9434 7.9434 8.8209 8.8209 8.8604 8.8604 11.1031 11.1032 k =-0.3308 0.6497 0.4870 ( 4458 PWs) bands (ev): -19.1830 -19.1830 -19.1829 -19.1829 -13.8965 -13.8965 -13.8963 -13.8963 -4.3099 -4.3099 -4.3065 -4.3065 -3.0466 -3.0466 -3.0465 -3.0465 -2.4145 -2.4145 -2.4120 -2.4120 -1.8357 -1.8357 -1.8253 -1.8253 0.8121 0.8121 0.8959 0.8959 1.0244 1.0244 1.0827 1.0827 1.4599 1.4599 1.5565 1.5565 1.7950 1.7950 1.8662 1.8662 2.2675 2.2675 2.3981 2.3981 2.7660 2.7660 2.8020 2.8020 3.3911 3.3911 3.4256 3.4256 7.9190 7.9190 7.9495 7.9495 8.8298 8.8298 8.8662 8.8662 11.1094 11.1094 k =-0.3369 0.6329 0.4870 ( 4458 PWs) bands (ev): -19.1836 -19.1836 -19.1835 -19.1835 -13.8975 -13.8975 -13.8973 -13.8973 -4.3092 -4.3092 -4.3059 -4.3059 -3.0331 -3.0331 -3.0331 -3.0331 -2.4164 -2.4164 -2.4139 -2.4139 -1.8453 -1.8453 -1.8352 -1.8352 0.8159 0.8159 0.9007 0.9007 1.0243 1.0243 1.0859 1.0859 1.4598 1.4598 1.5566 1.5566 1.7929 1.7929 1.8556 1.8556 2.2785 2.2785 2.4058 2.4058 2.7658 2.7658 2.7987 2.7987 3.3793 3.3793 3.4126 3.4126 7.9236 7.9236 7.9495 7.9495 8.8455 8.8455 8.8785 8.8785 11.1150 11.1152 k =-0.3429 0.6161 0.4870 ( 4454 PWs) bands (ev): -19.1842 -19.1842 -19.1841 -19.1841 -13.8985 -13.8985 -13.8983 -13.8983 -4.3087 -4.3087 -4.3054 -4.3054 -3.0193 -3.0193 -3.0191 -3.0191 -2.4184 -2.4184 -2.4158 -2.4158 -1.8548 -1.8548 -1.8450 -1.8450 0.8199 0.8199 0.9053 0.9053 1.0246 1.0246 1.0891 1.0891 1.4599 1.4599 1.5569 1.5569 1.7905 1.7905 1.8444 1.8444 2.2898 2.2898 2.4135 2.4135 2.7647 2.7647 2.7941 2.7941 3.3692 3.3692 3.4009 3.4009 7.9224 7.9224 7.9437 7.9437 8.8679 8.8679 8.8972 8.8972 11.1197 11.1199 k =-0.3489 0.5994 0.4870 ( 4450 PWs) bands (ev): -19.1849 -19.1849 -19.1848 -19.1848 -13.8995 -13.8995 -13.8993 -13.8993 -4.3084 -4.3084 -4.3052 -4.3052 -3.0050 -3.0050 -3.0047 -3.0047 -2.4203 -2.4203 -2.4178 -2.4178 -1.8643 -1.8643 -1.8547 -1.8547 0.8239 0.8239 0.9095 0.9095 1.0254 1.0254 1.0922 1.0922 1.4601 1.4601 1.5573 1.5573 1.7879 1.7879 1.8329 1.8329 2.3011 2.3011 2.4208 2.4208 2.7628 2.7628 2.7886 2.7886 3.3607 3.3607 3.3904 3.3904 7.9157 7.9157 7.9327 7.9327 8.8962 8.8962 8.9220 8.9220 11.1230 11.1239 k =-0.3550 0.5826 0.4870 ( 4446 PWs) bands (ev): -19.1855 -19.1855 -19.1854 -19.1854 -13.9006 -13.9006 -13.9004 -13.9004 -4.3082 -4.3082 -4.3050 -4.3050 -2.9903 -2.9903 -2.9900 -2.9900 -2.4223 -2.4223 -2.4198 -2.4198 -1.8735 -1.8735 -1.8643 -1.8643 0.8279 0.8279 0.9132 0.9132 1.0267 1.0267 1.0953 1.0953 1.4605 1.4605 1.5579 1.5579 1.7851 1.7851 1.8213 1.8213 2.3121 2.3121 2.4275 2.4275 2.7605 2.7605 2.7825 2.7825 3.3536 3.3536 3.3811 3.3811 7.9042 7.9042 7.9172 7.9172 8.9299 8.9299 8.9524 8.9524 11.1248 11.1249 k =-0.3610 0.5658 0.4870 ( 4432 PWs) bands (ev): -19.1862 -19.1862 -19.1861 -19.1861 -13.9016 -13.9016 -13.9014 -13.9014 -4.3082 -4.3082 -4.3051 -4.3051 -2.9754 -2.9754 -2.9750 -2.9750 -2.4243 -2.4243 -2.4218 -2.4218 -1.8826 -1.8826 -1.8737 -1.8737 0.8319 0.8319 0.9164 0.9164 1.0286 1.0286 1.0984 1.0984 1.4612 1.4612 1.5587 1.5587 1.7821 1.7821 1.8096 1.8096 2.3223 2.3223 2.4332 2.4332 2.7581 2.7581 2.7764 2.7764 3.3479 3.3479 3.3731 3.3731 7.8884 7.8884 7.8979 7.8979 8.9680 8.9680 8.9876 8.9876 11.1249 11.1251 k =-0.3671 0.5491 0.4870 ( 4432 PWs) bands (ev): -19.1869 -19.1869 -19.1868 -19.1868 -13.9027 -13.9027 -13.9025 -13.9025 -4.3083 -4.3083 -4.3052 -4.3052 -2.9603 -2.9603 -2.9598 -2.9598 -2.4263 -2.4263 -2.4238 -2.4238 -1.8916 -1.8916 -1.8830 -1.8830 0.8358 0.8358 0.9189 0.9189 1.0311 1.0311 1.1013 1.1013 1.4620 1.4620 1.5595 1.5595 1.7789 1.7789 1.7979 1.7979 2.3315 2.3315 2.4376 2.4376 2.7560 2.7560 2.7708 2.7708 3.3433 3.3433 3.3660 3.3660 7.8691 7.8691 7.8755 7.8755 9.0099 9.0099 9.0268 9.0268 11.1231 11.1231 k =-0.3731 0.5323 0.4870 ( 4432 PWs) bands (ev): -19.1876 -19.1876 -19.1874 -19.1874 -13.9037 -13.9037 -13.9035 -13.9035 -4.3085 -4.3085 -4.3055 -4.3055 -2.9450 -2.9450 -2.9445 -2.9445 -2.4282 -2.4282 -2.4257 -2.4257 -1.9002 -1.9002 -1.8920 -1.8920 0.8397 0.8397 0.9208 0.9208 1.0342 1.0342 1.1042 1.1042 1.4630 1.4630 1.5605 1.5605 1.7756 1.7756 1.7865 1.7865 2.3393 2.3393 2.4403 2.4403 2.7546 2.7546 2.7661 2.7661 3.3397 3.3397 3.3598 3.3598 7.8470 7.8470 7.8509 7.8509 9.0547 9.0547 9.0694 9.0694 11.1193 11.1193 k =-0.3791 0.5155 0.4870 ( 4436 PWs) bands (ev): -19.1882 -19.1882 -19.1881 -19.1881 -13.9047 -13.9047 -13.9046 -13.9046 -4.3088 -4.3088 -4.3059 -4.3059 -2.9298 -2.9298 -2.9292 -2.9292 -2.4301 -2.4301 -2.4277 -2.4277 -1.9087 -1.9087 -1.9008 -1.9008 0.8434 0.8434 0.9219 0.9219 1.0379 1.0379 1.1069 1.1069 1.4644 1.4644 1.5616 1.5616 1.7721 1.7721 1.7753 1.7753 2.3454 2.3454 2.4409 2.4409 2.7543 2.7543 2.7630 2.7630 3.3369 3.3369 3.3544 3.3544 7.8228 7.8228 7.8245 7.8245 9.1018 9.1018 9.1145 9.1145 11.1134 11.1136 k =-0.3852 0.4988 0.4870 ( 4444 PWs) bands (ev): -19.1889 -19.1889 -19.1888 -19.1888 -13.9058 -13.9058 -13.9056 -13.9056 -4.3091 -4.3091 -4.3064 -4.3064 -2.9145 -2.9145 -2.9139 -2.9139 -2.4320 -2.4320 -2.4296 -2.4296 -1.9168 -1.9168 -1.9093 -1.9093 0.8471 0.8471 0.9225 0.9225 1.0420 1.0420 1.1095 1.1095 1.4660 1.4660 1.5626 1.5626 1.7646 1.7646 1.7685 1.7685 2.3497 2.3497 2.4393 2.4393 2.7552 2.7552 2.7617 2.7617 3.3347 3.3347 3.3497 3.3497 7.7970 7.7970 7.7970 7.7970 9.1505 9.1505 9.1616 9.1616 11.1055 11.1058 k =-0.3912 0.4820 0.4870 ( 4452 PWs) bands (ev): -19.1896 -19.1896 -19.1895 -19.1895 -13.9068 -13.9068 -13.9067 -13.9067 -4.3096 -4.3096 -4.3069 -4.3069 -2.8995 -2.8995 -2.8989 -2.8989 -2.4338 -2.4338 -2.4314 -2.4314 -1.9247 -1.9247 -1.9176 -1.9176 0.8506 0.8506 0.9225 0.9225 1.0466 1.0466 1.1120 1.1120 1.4680 1.4680 1.5637 1.5637 1.7544 1.7544 1.7648 1.7648 2.3518 2.3518 2.4353 2.4353 2.7578 2.7578 2.7626 2.7626 3.3329 3.3329 3.3455 3.3455 7.7689 7.7689 7.7702 7.7702 9.2004 9.2004 9.2101 9.2101 11.0957 11.0957 k =-0.3973 0.4652 0.4870 ( 4456 PWs) bands (ev): -19.1903 -19.1903 -19.1902 -19.1902 -13.9078 -13.9078 -13.9076 -13.9076 -4.3101 -4.3101 -4.3075 -4.3075 -2.8846 -2.8846 -2.8840 -2.8840 -2.4355 -2.4355 -2.4332 -2.4332 -1.9323 -1.9323 -1.9255 -1.9255 0.8539 0.8539 0.9220 0.9220 1.0514 1.0514 1.1143 1.1143 1.4703 1.4703 1.5648 1.5648 1.7449 1.7449 1.7611 1.7611 2.3520 2.3520 2.4290 2.4290 2.7620 2.7620 2.7656 2.7656 3.3315 3.3315 3.3418 3.3418 7.7405 7.7405 7.7429 7.7429 9.2509 9.2509 9.2593 9.2593 11.0839 11.0844 k =-0.4033 0.4485 0.4870 ( 4456 PWs) bands (ev): -19.1909 -19.1909 -19.1908 -19.1908 -13.9087 -13.9087 -13.9086 -13.9086 -4.3106 -4.3106 -4.3082 -4.3082 -2.8701 -2.8701 -2.8694 -2.8694 -2.4372 -2.4372 -2.4349 -2.4349 -1.9395 -1.9395 -1.9332 -1.9332 0.8571 0.8571 0.9211 0.9211 1.0565 1.0565 1.1164 1.1164 1.4730 1.4730 1.5659 1.5659 1.7361 1.7361 1.7574 1.7574 2.3501 2.3501 2.4207 2.4207 2.7678 2.7678 2.7707 2.7707 3.3304 3.3304 3.3385 3.3385 7.7122 7.7122 7.7154 7.7154 9.3015 9.3015 9.3090 9.3090 11.0705 11.0709 k =-0.4094 0.4317 0.4870 ( 4452 PWs) bands (ev): -19.1916 -19.1916 -19.1915 -19.1915 -13.9097 -13.9097 -13.9096 -13.9096 -4.3112 -4.3112 -4.3089 -4.3089 -2.8559 -2.8559 -2.8553 -2.8553 -2.4388 -2.4388 -2.4365 -2.4365 -1.9464 -1.9464 -1.9404 -1.9404 0.8601 0.8601 0.9199 0.9199 1.0616 1.0616 1.1184 1.1184 1.4760 1.4760 1.5669 1.5669 1.7281 1.7281 1.7538 1.7538 2.3464 2.3464 2.4106 2.4106 2.7752 2.7752 2.7775 2.7775 3.3293 3.3293 3.3355 3.3355 7.6843 7.6843 7.6881 7.6881 9.3519 9.3519 9.3585 9.3585 11.0555 11.0559 k =-0.4154 0.4149 0.4870 ( 4452 PWs) bands (ev): -19.1922 -19.1922 -19.1921 -19.1921 -13.9106 -13.9106 -13.9105 -13.9105 -4.3118 -4.3118 -4.3096 -4.3096 -2.8423 -2.8423 -2.8416 -2.8416 -2.4402 -2.4402 -2.4381 -2.4381 -1.9529 -1.9529 -1.9473 -1.9473 0.8630 0.8630 0.9184 0.9184 1.0668 1.0668 1.1201 1.1201 1.4794 1.4794 1.5678 1.5678 1.7208 1.7208 1.7501 1.7501 2.3411 2.3411 2.3991 2.3991 2.7839 2.7839 2.7859 2.7859 3.3283 3.3283 3.3327 3.3327 7.6571 7.6571 7.6613 7.6613 9.4016 9.4016 9.4075 9.4075 11.0393 11.0395 k =-0.4214 0.3982 0.4870 ( 4448 PWs) bands (ev): -19.1928 -19.1928 -19.1927 -19.1927 -13.9114 -13.9114 -13.9113 -13.9113 -4.3124 -4.3124 -4.3104 -4.3104 -2.8291 -2.8291 -2.8285 -2.8285 -2.4416 -2.4416 -2.4395 -2.4395 -1.9590 -1.9590 -1.9539 -1.9539 0.8656 0.8656 0.9166 0.9166 1.0718 1.0718 1.1216 1.1216 1.4831 1.4831 1.5684 1.5684 1.7146 1.7146 1.7465 1.7465 2.3345 2.3345 2.3867 2.3867 2.7937 2.7937 2.7954 2.7954 3.3273 3.3273 3.3302 3.3302 7.6309 7.6309 7.6353 7.6353 9.4504 9.4504 9.4555 9.4555 11.0221 11.0222 k =-0.4275 0.3814 0.4870 ( 4448 PWs) bands (ev): -19.1933 -19.1933 -19.1933 -19.1933 -13.9123 -13.9123 -13.9122 -13.9122 -4.3130 -4.3130 -4.3111 -4.3111 -2.8167 -2.8167 -2.8161 -2.8161 -2.4428 -2.4428 -2.4409 -2.4409 -1.9647 -1.9647 -1.9600 -1.9600 0.8682 0.8682 0.9147 0.9147 1.0768 1.0768 1.1228 1.1228 1.4871 1.4871 1.5688 1.5688 1.7092 1.7092 1.7428 1.7428 2.3270 2.3270 2.3736 2.3736 2.8043 2.8043 2.8057 2.8057 3.3262 3.3262 3.3277 3.3277 7.6057 7.6057 7.6102 7.6102 9.4977 9.4977 9.5022 9.5022 11.0037 11.0044 k =-0.4335 0.3646 0.4870 ( 4440 PWs) bands (ev): -19.1939 -19.1939 -19.1938 -19.1938 -13.9130 -13.9130 -13.9129 -13.9129 -4.3136 -4.3136 -4.3118 -4.3118 -2.8049 -2.8049 -2.8044 -2.8044 -2.4440 -2.4440 -2.4421 -2.4421 -1.9700 -1.9700 -1.9657 -1.9657 0.8706 0.8706 0.9128 0.9128 1.0816 1.0816 1.1238 1.1238 1.4915 1.4915 1.5690 1.5690 1.7047 1.7047 1.7393 1.7393 2.3189 2.3189 2.3603 2.3603 2.8153 2.8153 2.8164 2.8164 3.3250 3.3250 3.3253 3.3253 7.5820 7.5820 7.5864 7.5864 9.5433 9.5433 9.5472 9.5472 10.9855 10.9861 k =-0.4396 0.3479 0.4870 ( 4440 PWs) bands (ev): -19.1944 -19.1944 -19.1943 -19.1943 -13.9137 -13.9137 -13.9137 -13.9137 -4.3142 -4.3142 -4.3126 -4.3126 -2.7939 -2.7939 -2.7934 -2.7934 -2.4450 -2.4450 -2.4432 -2.4432 -1.9749 -1.9749 -1.9710 -1.9710 0.8728 0.8728 0.9107 0.9107 1.0862 1.0862 1.1245 1.1245 1.4961 1.4961 1.5688 1.5688 1.7011 1.7011 1.7358 1.7358 2.3105 2.3105 2.3470 2.3470 2.8265 2.8265 2.8274 2.8274 3.3230 3.3230 3.3237 3.3237 7.5597 7.5597 7.5640 7.5640 9.5867 9.5867 9.5902 9.5902 10.9666 10.9675 k =-0.4456 0.3311 0.4870 ( 4432 PWs) bands (ev): -19.1948 -19.1948 -19.1947 -19.1947 -13.9144 -13.9144 -13.9143 -13.9143 -4.3147 -4.3147 -4.3132 -4.3132 -2.7837 -2.7837 -2.7833 -2.7833 -2.4459 -2.4459 -2.4442 -2.4442 -1.9793 -1.9793 -1.9758 -1.9758 0.8749 0.8749 0.9086 0.9086 1.0905 1.0905 1.1250 1.1250 1.5009 1.5009 1.5683 1.5683 1.6985 1.6985 1.7324 1.7324 2.3021 2.3021 2.3341 2.3341 2.8376 2.8376 2.8382 2.8382 3.3209 3.3209 3.3223 3.3223 7.5391 7.5391 7.5432 7.5432 9.6277 9.6277 9.6307 9.6307 10.9487 10.9488 k =-0.4517 0.3143 0.4870 ( 4432 PWs) bands (ev): -19.1952 -19.1952 -19.1952 -19.1952 -13.9150 -13.9150 -13.9149 -13.9149 -4.3152 -4.3152 -4.3139 -4.3139 -2.7745 -2.7745 -2.7741 -2.7741 -2.4466 -2.4466 -2.4451 -2.4451 -1.9833 -1.9833 -1.9802 -1.9802 0.8769 0.8769 0.9065 0.9065 1.0946 1.0946 1.1252 1.1252 1.5059 1.5059 1.5674 1.5674 1.6968 1.6968 1.7290 1.7290 2.2939 2.2939 2.3217 2.3217 2.8483 2.8483 2.8486 2.8486 3.3189 3.3189 3.3208 3.3208 7.5204 7.5204 7.5242 7.5242 9.6657 9.6657 9.6683 9.6683 10.9321 10.9326 k =-0.4577 0.2976 0.4870 ( 4428 PWs) bands (ev): -19.1956 -19.1956 -19.1955 -19.1955 -13.9155 -13.9155 -13.9154 -13.9154 -4.3156 -4.3156 -4.3145 -4.3145 -2.7662 -2.7662 -2.7659 -2.7659 -2.4473 -2.4473 -2.4459 -2.4459 -1.9868 -1.9868 -1.9841 -1.9841 0.8789 0.8789 0.9045 0.9045 1.0984 1.0984 1.1251 1.1251 1.5111 1.5111 1.5660 1.5660 1.6958 1.6958 1.7257 1.7257 2.2863 2.2863 2.3101 2.3101 2.8583 2.8583 2.8584 2.8584 3.3170 3.3170 3.3192 3.3192 7.5035 7.5035 7.5070 7.5070 9.7006 9.7006 9.7028 9.7028 10.9164 10.9172 k =-0.4637 0.2808 0.4870 ( 4428 PWs) bands (ev): -19.1959 -19.1959 -19.1959 -19.1959 -13.9160 -13.9160 -13.9159 -13.9159 -4.3160 -4.3160 -4.3150 -4.3150 -2.7589 -2.7589 -2.7586 -2.7586 -2.4478 -2.4478 -2.4466 -2.4466 -1.9898 -1.9898 -1.9875 -1.9875 0.8807 0.8807 0.9024 0.9024 1.1019 1.1019 1.1248 1.1248 1.5163 1.5163 1.5643 1.5643 1.6955 1.6955 1.7225 1.7225 2.2795 2.2795 2.2995 2.2995 2.8674 2.8674 2.8675 2.8675 3.3153 3.3153 3.3177 3.3177 7.4888 7.4888 7.4918 7.4918 9.7318 9.7318 9.7336 9.7336 10.9010 10.9013 k =-0.4698 0.2640 0.4870 ( 4432 PWs) bands (ev): -19.1962 -19.1962 -19.1962 -19.1962 -13.9164 -13.9164 -13.9163 -13.9163 -4.3163 -4.3163 -4.3155 -4.3155 -2.7527 -2.7527 -2.7525 -2.7525 -2.4482 -2.4482 -2.4472 -2.4472 -1.9924 -1.9924 -1.9905 -1.9905 0.8825 0.8825 0.9004 0.9004 1.1051 1.1051 1.1242 1.1242 1.5214 1.5214 1.5621 1.5621 1.6959 1.6959 1.7193 1.7193 2.2736 2.2736 2.2900 2.2900 2.8754 2.8754 2.8756 2.8756 3.3138 3.3138 3.3161 3.3161 7.4762 7.4762 7.4788 7.4788 9.7590 9.7590 9.7605 9.7605 10.8882 10.8895 k =-0.4758 0.2473 0.4870 ( 4440 PWs) bands (ev): -19.1964 -19.1964 -19.1964 -19.1964 -13.9167 -13.9167 -13.9167 -13.9167 -4.3166 -4.3166 -4.3159 -4.3159 -2.7476 -2.7476 -2.7474 -2.7474 -2.4486 -2.4486 -2.4477 -2.4477 -1.9945 -1.9945 -1.9929 -1.9929 0.8842 0.8842 0.8984 0.8984 1.1081 1.1081 1.1233 1.1233 1.5266 1.5266 1.5595 1.5595 1.6969 1.6969 1.7161 1.7161 2.2688 2.2688 2.2817 2.2817 2.8822 2.8822 2.8825 2.8825 3.3126 3.3126 3.3147 3.3147 7.4658 7.4658 7.4679 7.4679 9.7819 9.7819 9.7830 9.7830 10.8773 10.8784 k =-0.4819 0.2305 0.4870 ( 4436 PWs) bands (ev): -19.1966 -19.1966 -19.1966 -19.1966 -13.9169 -13.9169 -13.9169 -13.9169 -4.3168 -4.3168 -4.3163 -4.3163 -2.7435 -2.7435 -2.7434 -2.7434 -2.4488 -2.4488 -2.4481 -2.4481 -1.9960 -1.9960 -1.9949 -1.9949 0.8859 0.8859 0.8965 0.8965 1.1109 1.1109 1.1222 1.1222 1.5316 1.5316 1.5566 1.5566 1.6983 1.6983 1.7131 1.7131 2.2653 2.2653 2.2749 2.2749 2.8877 2.8877 2.8880 2.8880 3.3118 3.3118 3.3135 3.3135 7.4577 7.4577 7.4593 7.4593 9.8001 9.8001 9.8009 9.8009 10.8687 10.8693 k =-0.4879 0.2137 0.4870 ( 4436 PWs) bands (ev): -19.1967 -19.1967 -19.1967 -19.1967 -13.9171 -13.9171 -13.9171 -13.9171 -4.3169 -4.3169 -4.3165 -4.3165 -2.7406 -2.7406 -2.7405 -2.7405 -2.4489 -2.4489 -2.4485 -2.4485 -1.9971 -1.9971 -1.9963 -1.9963 0.8876 0.8876 0.8946 0.8946 1.1133 1.1133 1.1209 1.1209 1.5365 1.5365 1.5532 1.5532 1.7002 1.7002 1.7102 1.7102 2.2631 2.2631 2.2695 2.2695 2.8917 2.8917 2.8919 2.8919 3.3112 3.3112 3.3124 3.3124 7.4520 7.4520 7.4531 7.4531 9.8133 9.8133 9.8139 9.8139 10.8620 10.8625 k =-0.4940 0.1970 0.4870 ( 4432 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.9172 -13.9172 -13.9172 -13.9172 -4.3169 -4.3169 -4.3167 -4.3167 -2.7389 -2.7389 -2.7388 -2.7388 -2.4489 -2.4489 -2.4487 -2.4487 -1.9977 -1.9977 -1.9973 -1.9973 0.8893 0.8893 0.8928 0.8928 1.1156 1.1156 1.1194 1.1194 1.5411 1.5411 1.5495 1.5495 1.7023 1.7023 1.7074 1.7074 2.2624 2.2624 2.2656 2.2656 2.8942 2.8942 2.8943 2.8943 3.3110 3.3110 3.3116 3.3116 7.4487 7.4487 7.4492 7.4492 9.8214 9.8214 9.8217 9.8217 10.8581 10.8584 k =-0.5000 0.1802 0.4870 ( 4428 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.9173 -13.9173 -13.9173 -13.9173 -4.3169 -4.3169 -4.3169 -4.3169 -2.7383 -2.7383 -2.7383 -2.7383 -2.4489 -2.4489 -2.4489 -2.4489 -1.9977 -1.9977 -1.9977 -1.9977 0.8910 0.8910 0.8910 0.8910 1.1176 1.1176 1.1176 1.1176 1.5455 1.5455 1.5455 1.5455 1.7048 1.7048 1.7048 1.7048 2.2632 2.2632 2.2632 2.2632 2.8951 2.8951 2.8951 2.8951 3.3111 3.3111 3.3111 3.3111 7.4477 7.4477 7.4477 7.4477 9.8242 9.8242 9.8242 9.8242 10.8569 10.8569 k =-0.5000 0.1802 0.4870 ( 4428 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.9173 -13.9173 -13.9173 -13.9173 -4.3169 -4.3169 -4.3169 -4.3169 -2.7383 -2.7383 -2.7383 -2.7383 -2.4489 -2.4489 -2.4489 -2.4489 -1.9977 -1.9977 -1.9977 -1.9977 0.8910 0.8910 0.8910 0.8910 1.1176 1.1176 1.1176 1.1176 1.5455 1.5455 1.5455 1.5455 1.7048 1.7048 1.7048 1.7048 2.2632 2.2632 2.2632 2.2632 2.8951 2.8951 2.8951 2.8951 3.3111 3.3111 3.3111 3.3111 7.4477 7.4477 7.4477 7.4477 9.8242 9.8242 9.8242 9.8242 10.8569 10.8569 k =-0.5000 0.1802 0.4689 ( 4424 PWs) bands (ev): -19.1988 -19.1988 -19.1949 -19.1949 -13.9180 -13.9180 -13.9165 -13.9165 -4.3226 -4.3226 -4.3111 -4.3111 -2.7596 -2.7596 -2.7168 -2.7168 -2.4550 -2.4550 -2.4427 -2.4427 -2.0527 -2.0527 -1.9414 -1.9414 0.8848 0.8848 0.8950 0.8950 1.1035 1.1035 1.1312 1.1312 1.5367 1.5367 1.5521 1.5521 1.6961 1.6961 1.7165 1.7165 2.2530 2.2530 2.2753 2.2753 2.8702 2.8702 2.9193 2.9193 3.2914 3.2914 3.3304 3.3304 7.4387 7.4387 7.4609 7.4609 9.7832 9.7832 9.8654 9.8654 10.7684 10.7684 k =-0.5000 0.1802 0.4509 ( 4430 PWs) bands (ev): -19.2007 -19.2007 -19.1930 -19.1930 -13.9188 -13.9188 -13.9157 -13.9157 -4.3284 -4.3284 -4.3053 -4.3053 -2.7807 -2.7807 -2.6953 -2.6953 -2.4612 -2.4612 -2.4365 -2.4365 -2.1062 -2.1062 -1.8838 -1.8838 0.8763 0.8763 0.8966 0.8966 1.0889 1.0889 1.1440 1.1440 1.5264 1.5264 1.5560 1.5560 1.6911 1.6911 1.7308 1.7308 2.2451 2.2451 2.2885 2.2885 2.8453 2.8453 2.9422 2.9422 3.2711 3.2711 3.3491 3.3491 7.4337 7.4337 7.4782 7.4782 9.7422 9.7422 9.9064 9.9064 10.6765 10.6765 k =-0.5000 0.1802 0.4329 ( 4438 PWs) bands (ev): -19.2026 -19.2026 -19.1910 -19.1910 -13.9196 -13.9196 -13.9149 -13.9149 -4.3342 -4.3342 -4.2996 -4.2996 -2.8016 -2.8016 -2.6739 -2.6739 -2.4674 -2.4674 -2.4304 -2.4304 -2.1582 -2.1582 -1.8249 -1.8249 0.8658 0.8658 0.8958 0.8958 1.0742 1.0742 1.1557 1.1557 1.5152 1.5152 1.5570 1.5570 1.6897 1.6897 1.7469 1.7469 2.2398 2.2398 2.3021 2.3021 2.8214 2.8214 2.9633 2.9633 3.2505 3.2505 3.3673 3.3673 7.4327 7.4327 7.4997 7.4997 9.7016 9.7016 9.9472 9.9472 10.5831 10.5831 k =-0.5000 0.1802 0.4148 ( 4432 PWs) bands (ev): -19.2045 -19.2045 -19.1891 -19.1891 -13.9203 -13.9203 -13.9142 -13.9142 -4.3399 -4.3399 -4.2939 -4.2939 -2.8222 -2.8222 -2.6526 -2.6526 -2.4735 -2.4735 -2.4244 -2.4244 -2.2086 -2.2086 -1.7649 -1.7649 0.8535 0.8535 0.8925 0.8925 1.0593 1.0593 1.1663 1.1663 1.5037 1.5037 1.5556 1.5556 1.6919 1.6919 1.7646 1.7646 2.2371 2.2371 2.3150 2.3150 2.7996 2.7996 2.9825 2.9825 3.2294 3.2294 3.3849 3.3849 7.4356 7.4356 7.5254 7.5254 9.6614 9.6614 9.9877 9.9877 10.4893 10.4893 k =-0.5000 0.1802 0.3968 ( 4436 PWs) bands (ev): -19.2064 -19.2064 -19.1873 -19.1873 -13.9210 -13.9210 -13.9134 -13.9134 -4.3455 -4.3455 -4.2883 -4.2883 -2.8424 -2.8424 -2.6314 -2.6314 -2.4795 -2.4795 -2.4186 -2.4186 -2.2573 -2.2573 -1.7039 -1.7039 0.8394 0.8394 0.8867 0.8867 1.0444 1.0444 1.1754 1.1754 1.4924 1.4924 1.5523 1.5523 1.6969 1.6969 1.7833 1.7833 2.2370 2.2370 2.3257 2.3257 2.7813 2.7813 2.9994 2.9994 3.2081 3.2081 3.4019 3.4019 7.4422 7.4422 7.5552 7.5552 9.6217 9.6217 10.0278 10.0278 10.3955 10.3955 k =-0.5000 0.1802 0.3788 ( 4438 PWs) bands (ev): -19.2082 -19.2082 -19.1854 -19.1854 -13.9217 -13.9217 -13.9126 -13.9126 -4.3510 -4.3510 -4.2829 -4.2829 -2.8622 -2.8622 -2.6106 -2.6106 -2.4855 -2.4855 -2.4128 -2.4128 -2.3042 -2.3042 -1.6420 -1.6420 0.8238 0.8238 0.8786 0.8786 1.0295 1.0295 1.1828 1.1828 1.4817 1.4817 1.5481 1.5481 1.7039 1.7039 1.8027 1.8027 2.2395 2.2395 2.3328 2.3328 2.7681 2.7681 3.0139 3.0139 3.1864 3.1864 3.4182 3.4182 7.4524 7.4524 7.5892 7.5892 9.5826 9.5826 10.0672 10.0672 10.3024 10.3024 k =-0.5000 0.1802 0.3607 ( 4442 PWs) bands (ev): -19.2100 -19.2100 -19.1836 -19.1836 -13.9224 -13.9224 -13.9119 -13.9119 -4.3564 -4.3564 -4.2775 -4.2775 -2.8814 -2.8814 -2.5901 -2.5901 -2.4913 -2.4913 -2.4074 -2.4074 -2.3492 -2.3492 -1.5792 -1.5792 0.8070 0.8070 0.8680 0.8680 1.0149 1.0149 1.1883 1.1883 1.4718 1.4718 1.5436 1.5436 1.7124 1.7124 1.8225 1.8225 2.2439 2.2439 2.3354 2.3354 2.7613 2.7613 3.0259 3.0259 3.1646 3.1646 3.4339 3.4339 7.4661 7.4661 7.6273 7.6273 9.5443 9.5443 10.1059 10.1059 10.2102 10.2102 k =-0.5000 0.1802 0.3427 ( 4442 PWs) bands (ev): -19.2118 -19.2118 -19.1819 -19.1819 -13.9231 -13.9231 -13.9111 -13.9111 -4.3617 -4.3617 -4.2723 -4.2723 -2.9001 -2.9001 -2.5700 -2.5700 -2.4970 -2.4970 -2.4039 -2.4039 -2.3905 -2.3905 -1.5158 -1.5158 0.7893 0.7893 0.8551 0.8551 1.0006 1.0006 1.1916 1.1916 1.4630 1.4630 1.5394 1.5394 1.7218 1.7218 1.8426 1.8426 2.2496 2.2496 2.3333 2.3333 2.7616 2.7616 3.0354 3.0354 3.1426 3.1426 3.4490 3.4490 7.4832 7.4832 7.6693 7.6693 9.5069 9.5069 10.1181 10.1181 10.1447 10.1447 k =-0.5000 0.1802 0.3246 ( 4426 PWs) bands (ev): -19.2135 -19.2135 -19.1802 -19.1802 -13.9238 -13.9238 -13.9104 -13.9104 -4.3668 -4.3668 -4.2672 -4.2672 -2.9181 -2.9181 -2.5506 -2.5506 -2.5025 -2.5025 -2.4350 -2.4350 -2.3953 -2.3953 -1.4517 -1.4517 0.7709 0.7709 0.8398 0.8398 0.9866 0.9866 1.1928 1.1928 1.4553 1.4553 1.5359 1.5359 1.7319 1.7319 1.8627 1.8627 2.2547 2.2547 2.3282 2.3282 2.7692 2.7692 3.0423 3.0423 3.1206 3.1206 3.4634 3.4634 7.5035 7.5035 7.7152 7.7152 9.4705 9.4705 10.0288 10.0288 10.1812 10.1812 k =-0.5000 0.1802 0.3066 ( 4446 PWs) bands (ev): -19.2152 -19.2152 -19.1785 -19.1785 -13.9244 -13.9244 -13.9097 -13.9097 -4.3718 -4.3718 -4.2623 -4.2623 -2.9355 -2.9355 -2.5322 -2.5322 -2.5078 -2.5078 -2.4736 -2.4736 -2.3905 -2.3905 -1.3872 -1.3872 0.7519 0.7519 0.8222 0.8222 0.9730 0.9730 1.1918 1.1918 1.4486 1.4486 1.5334 1.5334 1.7423 1.7423 1.8822 1.8822 2.2554 2.2554 2.3244 2.3244 2.7828 2.7828 3.0467 3.0467 3.0989 3.0989 3.4771 3.4771 7.5268 7.5268 7.7647 7.7647 9.4353 9.4353 9.9405 9.9405 10.2172 10.2172 k =-0.5000 0.1802 0.2886 ( 4446 PWs) bands (ev): -19.2168 -19.2168 -19.1769 -19.1769 -13.9250 -13.9250 -13.9091 -13.9091 -4.3766 -4.3766 -4.2576 -4.2576 -2.9522 -2.9522 -2.5217 -2.5217 -2.5130 -2.5130 -2.5030 -2.5030 -2.3856 -2.3856 -1.3224 -1.3224 0.7327 0.7327 0.8023 0.8023 0.9600 0.9600 1.1889 1.1889 1.4428 1.4428 1.5320 1.5320 1.7531 1.7531 1.9011 1.9011 2.2475 2.2475 2.3276 2.3276 2.8011 2.8011 3.0481 3.0481 3.0782 3.0782 3.4900 3.4900 7.5530 7.5530 7.8178 7.8178 9.4013 9.4013 9.8537 9.8537 10.2519 10.2519 k =-0.5000 0.1802 0.2705 ( 4444 PWs) bands (ev): -19.2183 -19.2183 -19.1754 -19.1754 -13.9256 -13.9256 -13.9084 -13.9084 -4.3812 -4.3812 -4.2530 -4.2530 -2.9681 -2.9681 -2.5498 -2.5498 -2.5179 -2.5179 -2.4929 -2.4929 -2.3809 -2.3809 -1.2574 -1.2574 0.7135 0.7135 0.7801 0.7801 0.9475 0.9475 1.1844 1.1844 1.4377 1.4377 1.5319 1.5319 1.7639 1.7639 1.9190 1.9190 2.2317 2.2317 2.3385 2.3385 2.8222 2.8222 3.0432 3.0432 3.0623 3.0623 3.5022 3.5022 7.5818 7.5818 7.8743 7.8743 9.3686 9.3686 9.7688 9.7688 10.2854 10.2854 k =-0.5000 0.1802 0.2525 ( 4440 PWs) bands (ev): -19.2197 -19.2197 -19.1740 -19.1740 -13.9261 -13.9261 -13.9078 -13.9078 -4.3855 -4.3855 -4.2487 -4.2487 -2.9832 -2.9832 -2.5826 -2.5826 -2.5226 -2.5226 -2.4766 -2.4766 -2.3764 -2.3764 -1.1926 -1.1926 0.6945 0.6945 0.7558 0.7558 0.9357 0.9357 1.1787 1.1787 1.4331 1.4331 1.5328 1.5328 1.7748 1.7748 1.9355 1.9355 2.2120 2.2120 2.3543 2.3543 2.8444 2.8444 3.0272 3.0272 3.0569 3.0569 3.5138 3.5138 7.6131 7.6131 7.9339 7.9339 9.3375 9.3375 9.6858 9.6858 10.3172 10.3172 k =-0.5000 0.1802 0.2345 ( 4436 PWs) bands (ev): -19.2211 -19.2211 -19.1726 -19.1726 -13.9266 -13.9266 -13.9072 -13.9072 -4.3897 -4.3897 -4.2447 -4.2447 -2.9974 -2.9974 -2.6137 -2.6137 -2.5270 -2.5270 -2.4607 -2.4607 -2.3721 -2.3721 -1.1280 -1.1280 0.6760 0.6760 0.7293 0.7293 0.9246 0.9246 1.1719 1.1719 1.4289 1.4289 1.5347 1.5347 1.7856 1.7856 1.9498 1.9498 2.1918 2.1918 2.3734 2.3734 2.8656 2.8656 3.0073 3.0073 3.0558 3.0558 3.5245 3.5245 7.6466 7.6466 7.9964 7.9964 9.3079 9.3079 9.6049 9.6049 10.2820 10.2820 k =-0.5000 0.1802 0.2164 ( 4420 PWs) bands (ev): -19.2224 -19.2224 -19.1713 -19.1713 -13.9271 -13.9271 -13.9066 -13.9066 -4.3936 -4.3936 -4.2408 -4.2408 -3.0107 -3.0107 -2.6428 -2.6428 -2.5312 -2.5312 -2.4455 -2.4455 -2.3681 -2.3681 -1.0640 -1.0640 0.6583 0.6583 0.7010 0.7010 0.9141 0.9141 1.1646 1.1646 1.4250 1.4250 1.5373 1.5373 1.7962 1.7962 1.9611 1.9611 2.1734 2.1734 2.3946 2.3946 2.8836 2.8836 2.9870 2.9870 3.0569 3.0569 3.5345 3.5345 7.6820 7.6820 8.0617 8.0617 9.2800 9.2800 9.5263 9.5263 10.1981 10.1981 k =-0.5000 0.1802 0.1984 ( 4428 PWs) bands (ev): -19.2236 -19.2236 -19.1701 -19.1701 -13.9275 -13.9275 -13.9061 -13.9061 -4.3972 -4.3972 -4.2373 -4.2373 -3.0231 -3.0231 -2.6698 -2.6698 -2.5351 -2.5351 -2.4313 -2.4313 -2.3644 -2.3644 -1.0008 -1.0008 0.6411 0.6411 0.6709 0.6709 0.9045 0.9045 1.1569 1.1569 1.4212 1.4212 1.5403 1.5403 1.8063 1.8063 1.9684 1.9684 2.1588 2.1588 2.4174 2.4174 2.8961 2.8961 2.9674 2.9674 3.0612 3.0612 3.5438 3.5438 7.7191 7.7191 8.1293 8.1293 9.2539 9.2539 9.4502 9.4502 10.1134 10.1134 k =-0.5000 0.1802 0.1804 ( 4432 PWs) bands (ev): -19.2247 -19.2247 -19.1690 -19.1690 -13.9279 -13.9279 -13.9056 -13.9056 -4.4006 -4.4006 -4.2340 -4.2340 -3.0346 -3.0346 -2.6945 -2.6945 -2.5388 -2.5388 -2.4182 -2.4182 -2.3609 -2.3609 -0.9389 -0.9389 0.6247 0.6247 0.6396 0.6396 0.8955 0.8955 1.1493 1.1493 1.4178 1.4178 1.5435 1.5435 1.8160 1.8160 1.9707 1.9707 2.1494 2.1494 2.4415 2.4415 2.9012 2.9012 2.9488 2.9488 3.0696 3.0696 3.5523 3.5523 7.7576 7.7576 8.1989 8.1989 9.2296 9.2296 9.3768 9.3768 10.0283 10.0283 k =-0.5000 0.1802 0.1623 ( 4436 PWs) bands (ev): -19.2257 -19.2257 -19.1680 -19.1680 -13.9283 -13.9283 -13.9052 -13.9052 -4.4037 -4.4037 -4.2310 -4.2310 -3.0450 -3.0450 -2.7170 -2.7170 -2.5421 -2.5421 -2.4061 -2.4061 -2.3577 -2.3577 -0.8786 -0.8786 0.6043 0.6043 0.6122 0.6122 0.8874 0.8874 1.1419 1.1419 1.4145 1.4145 1.5469 1.5469 1.8251 1.8251 1.9682 1.9682 2.1457 2.1457 2.4665 2.4665 2.8985 2.8985 2.9318 2.9318 3.0821 3.0821 3.5600 3.5600 7.7968 7.7968 8.2703 8.2703 9.2071 9.2071 9.3065 9.3065 9.9432 9.9432 k =-0.5000 0.1802 0.1443 ( 4436 PWs) bands (ev): -19.2267 -19.2267 -19.1671 -19.1671 -13.9286 -13.9286 -13.9048 -13.9048 -4.4065 -4.4065 -4.2282 -4.2282 -3.0544 -3.0544 -2.7373 -2.7373 -2.5451 -2.5451 -2.3951 -2.3951 -2.3548 -2.3548 -0.8205 -0.8205 0.5720 0.5720 0.5972 0.5972 0.8801 0.8801 1.1349 1.1349 1.4116 1.4116 1.5501 1.5501 1.8334 1.8334 1.9619 1.9619 2.1469 2.1469 2.4921 2.4921 2.8895 2.8895 2.9161 2.9161 3.0973 3.0973 3.5669 3.5669 7.8364 7.8364 8.3429 8.3429 9.1862 9.1862 9.2403 9.2403 9.8585 9.8585 k =-0.5000 0.1802 0.1263 ( 4442 PWs) bands (ev): -19.2275 -19.2275 -19.1663 -19.1663 -13.9290 -13.9290 -13.9044 -13.9044 -4.4090 -4.4090 -4.2258 -4.2258 -3.0628 -3.0628 -2.7552 -2.7552 -2.5478 -2.5478 -2.3854 -2.3854 -2.3522 -2.3522 -0.7653 -0.7653 0.5386 0.5386 0.5847 0.5847 0.8736 0.8736 1.1284 1.1284 1.4089 1.4089 1.5530 1.5530 1.8407 1.8407 1.9534 1.9534 2.1516 2.1516 2.5182 2.5182 2.8767 2.8767 2.9007 2.9007 3.1137 3.1137 3.5730 3.5730 7.8757 7.8757 8.4163 8.4163 9.1626 9.1626 9.1828 9.1828 9.7746 9.7746 k =-0.5000 0.1802 0.1082 ( 4446 PWs) bands (ev): -19.2282 -19.2282 -19.1656 -19.1656 -13.9292 -13.9292 -13.9041 -13.9041 -4.4111 -4.4111 -4.2237 -4.2237 -3.0701 -3.0701 -2.7708 -2.7708 -2.5501 -2.5501 -2.3769 -2.3769 -2.3499 -2.3499 -0.7138 -0.7138 0.5059 0.5059 0.5738 0.5738 0.8680 0.8680 1.1226 1.1226 1.4065 1.4065 1.5557 1.5557 1.8469 1.8469 1.9443 1.9443 2.1582 2.1582 2.5444 2.5444 2.8622 2.8622 2.8851 2.8851 3.1298 3.1298 3.5784 3.5784 7.9139 7.9139 8.4895 8.4895 9.1143 9.1143 9.1569 9.1569 9.6924 9.6924 k =-0.5000 0.1802 0.0902 ( 4450 PWs) bands (ev): -19.2288 -19.2288 -19.1650 -19.1650 -13.9294 -13.9294 -13.9039 -13.9039 -4.4130 -4.4130 -4.2219 -4.2219 -3.0763 -3.0763 -2.7840 -2.7840 -2.5521 -2.5521 -2.3697 -2.3697 -2.3478 -2.3478 -0.6668 -0.6668 0.4748 0.4748 0.5644 0.5644 0.8632 0.8632 1.1176 1.1176 1.4044 1.4044 1.5579 1.5579 1.8518 1.8518 1.9360 1.9360 2.1653 2.1653 2.5704 2.5704 2.8469 2.8469 2.8698 2.8698 3.1447 3.1447 3.5829 3.5829 7.9499 7.9499 8.5616 8.5616 9.0623 9.0623 9.1424 9.1424 9.6127 9.6127 k =-0.5000 0.1802 0.0721 ( 4438 PWs) bands (ev): -19.2293 -19.2293 -19.1645 -19.1645 -13.9296 -13.9296 -13.9036 -13.9036 -4.4145 -4.4145 -4.2204 -4.2204 -3.0813 -3.0813 -2.7948 -2.7948 -2.5537 -2.5537 -2.3638 -2.3638 -2.3461 -2.3461 -0.6257 -0.6257 0.4466 0.4466 0.5568 0.5568 0.8593 0.8593 1.1134 1.1134 1.4028 1.4028 1.5598 1.5598 1.8554 1.8554 1.9291 1.9291 2.1723 2.1723 2.5958 2.5958 2.8306 2.8306 2.8561 2.8561 3.1577 3.1577 3.5866 3.5866 7.9826 7.9826 8.6309 8.6309 9.0162 9.0162 9.1310 9.1310 9.5374 9.5374 k =-0.5000 0.1802 0.0541 ( 4446 PWs) bands (ev): -19.2297 -19.2297 -19.1641 -19.1641 -13.9298 -13.9298 -13.9035 -13.9035 -4.4157 -4.4157 -4.2192 -4.2192 -3.0853 -3.0853 -2.8033 -2.8033 -2.5550 -2.5550 -2.3594 -2.3594 -2.3446 -2.3446 -0.5916 -0.5916 0.4225 0.4225 0.5507 0.5507 0.8562 0.8562 1.1101 1.1101 1.4014 1.4014 1.5612 1.5612 1.8576 1.8576 1.9239 1.9239 2.1782 2.1782 2.6198 2.6198 2.8134 2.8134 2.8452 2.8452 3.1681 3.1681 3.5895 3.5895 8.0105 8.0105 8.6947 8.6947 8.9778 8.9778 9.1223 9.1223 9.4688 9.4688 k =-0.5000 0.1802 0.0361 ( 4438 PWs) bands (ev): -19.2300 -19.2300 -19.1638 -19.1638 -13.9299 -13.9299 -13.9033 -13.9033 -4.4166 -4.4166 -4.2184 -4.2184 -3.0882 -3.0882 -2.8093 -2.8093 -2.5559 -2.5559 -2.3562 -2.3562 -2.3435 -2.3435 -0.5659 -0.5659 0.4040 0.4040 0.5463 0.5463 0.8540 0.8540 1.1078 1.1078 1.4005 1.4005 1.5623 1.5623 1.8589 1.8589 1.9205 1.9205 2.1828 2.1828 2.6411 2.6411 2.7967 2.7967 2.8375 2.8375 3.1759 3.1759 3.5916 3.5916 8.0321 8.0321 8.7487 8.7487 8.9489 8.9489 9.1160 9.1160 9.4115 9.4115 k =-0.5000 0.1802 0.0180 ( 4438 PWs) bands (ev): -19.2302 -19.2302 -19.1636 -19.1636 -13.9299 -13.9299 -13.9033 -13.9033 -4.4171 -4.4171 -4.2179 -4.2179 -3.0899 -3.0899 -2.8129 -2.8129 -2.5565 -2.5565 -2.3544 -2.3544 -2.3427 -2.3427 -0.5499 -0.5499 0.3923 0.3923 0.5438 0.5438 0.8527 0.8527 1.1063 1.1063 1.3999 1.3999 1.5629 1.5629 1.8594 1.8594 1.9187 1.9187 2.1857 2.1857 2.6569 2.6569 2.7834 2.7834 2.8329 2.8329 3.1805 3.1805 3.5928 3.5928 8.0457 8.0457 8.7863 8.7863 8.9307 8.9307 9.1123 9.1123 9.3718 9.3718 k =-0.5000 0.1802-0.0000 ( 4446 PWs) bands (ev): -19.2302 -19.2302 -19.1636 -19.1636 -13.9299 -13.9299 -13.9032 -13.9032 -4.4173 -4.4173 -4.2177 -4.2177 -3.0904 -3.0904 -2.8141 -2.8141 -2.5567 -2.5567 -2.3538 -2.3538 -2.3425 -2.3425 -0.5445 -0.5445 0.3882 0.3882 0.5428 0.5428 0.8522 0.8522 1.1058 1.1058 1.3997 1.3997 1.5631 1.5631 1.8595 1.8595 1.9180 1.9180 2.1866 2.1866 2.6630 2.6630 2.7781 2.7781 2.8314 2.8314 3.1821 3.1821 3.5932 3.5932 8.0504 8.0504 8.8000 8.8000 8.9245 8.9245 9.1111 9.1111 9.3574 9.3574 k = 0.0000 0.0000 0.4870 ( 4440 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9024 -13.9024 -13.9024 -13.9024 -4.5132 -4.5132 -4.5132 -4.5132 -2.8451 -2.8451 -2.8451 -2.8451 -2.4245 -2.4245 -2.4245 -2.4245 -1.6271 -1.6271 -1.6271 -1.6271 1.0184 1.0184 1.0184 1.0184 1.0449 1.0449 1.0449 1.0449 1.4523 1.4523 1.4523 1.4523 1.7283 1.7283 1.7283 1.7283 2.0103 2.0103 2.0103 2.0103 3.1570 3.1570 3.1570 3.1570 3.5426 3.5426 3.5426 3.5426 6.6254 6.6254 6.6254 6.6254 10.3746 10.3746 10.3746 10.3746 10.7929 10.7929 k =-0.0167 0.0060 0.4870 ( 4444 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9024 -13.9024 -13.9024 -13.9024 -4.5127 -4.5127 -4.5127 -4.5127 -2.8450 -2.8450 -2.8450 -2.8450 -2.4246 -2.4246 -2.4246 -2.4246 -1.6278 -1.6278 -1.6278 -1.6278 1.0161 1.0161 1.0161 1.0161 1.0472 1.0472 1.0472 1.0472 1.4520 1.4520 1.4520 1.4520 1.7287 1.7287 1.7287 1.7287 2.0103 2.0103 2.0103 2.0103 3.1574 3.1574 3.1574 3.1574 3.5413 3.5413 3.5413 3.5413 6.6276 6.6276 6.6276 6.6276 10.3730 10.3730 10.3730 10.3730 10.7934 10.7934 k =-0.0333 0.0120 0.4870 ( 4446 PWs) bands (ev): -19.1996 -19.1996 -19.1996 -19.1996 -13.9026 -13.9026 -13.9026 -13.9026 -4.5112 -4.5112 -4.5112 -4.5112 -2.8448 -2.8448 -2.8448 -2.8448 -2.4248 -2.4248 -2.4248 -2.4248 -1.6299 -1.6299 -1.6299 -1.6299 1.0105 1.0105 1.0105 1.0105 1.0527 1.0527 1.0527 1.0527 1.4510 1.4510 1.4510 1.4510 1.7302 1.7302 1.7302 1.7302 2.0103 2.0103 2.0103 2.0103 3.1585 3.1585 3.1585 3.1585 3.5373 3.5373 3.5373 3.5373 6.6342 6.6342 6.6342 6.6342 10.3681 10.3681 10.3681 10.3681 10.7950 10.7950 k =-0.0500 0.0180 0.4870 ( 4444 PWs) bands (ev): -19.1995 -19.1995 -19.1995 -19.1995 -13.9028 -13.9028 -13.9028 -13.9028 -4.5086 -4.5086 -4.5086 -4.5086 -2.8444 -2.8444 -2.8444 -2.8444 -2.4251 -2.4251 -2.4251 -2.4251 -1.6333 -1.6333 -1.6333 -1.6333 1.0037 1.0037 1.0037 1.0037 1.0594 1.0594 1.0594 1.0594 1.4494 1.4494 1.4494 1.4494 1.7325 1.7325 1.7325 1.7325 2.0103 2.0103 2.0103 2.0103 3.1604 3.1604 3.1604 3.1604 3.5306 3.5306 3.5306 3.5306 6.6452 6.6452 6.6452 6.6452 10.3601 10.3601 10.3601 10.3601 10.7977 10.7977 k =-0.0667 0.0240 0.4870 ( 4440 PWs) bands (ev): -19.1995 -19.1995 -19.1995 -19.1995 -13.9030 -13.9030 -13.9030 -13.9030 -4.5051 -4.5051 -4.5051 -4.5051 -2.8439 -2.8439 -2.8439 -2.8439 -2.4256 -2.4256 -2.4256 -2.4256 -1.6380 -1.6380 -1.6380 -1.6380 0.9964 0.9964 0.9964 0.9964 1.0665 1.0665 1.0665 1.0665 1.4474 1.4474 1.4474 1.4474 1.7356 1.7356 1.7356 1.7356 2.0104 2.0104 2.0104 2.0104 3.1630 3.1630 3.1630 3.1630 3.5214 3.5214 3.5214 3.5214 6.6604 6.6604 6.6604 6.6604 10.3490 10.3490 10.3490 10.3490 10.8013 10.8013 k =-0.0833 0.0300 0.4870 ( 4436 PWs) bands (ev): -19.1994 -19.1994 -19.1994 -19.1994 -13.9034 -13.9034 -13.9034 -13.9034 -4.5006 -4.5006 -4.5006 -4.5006 -2.8432 -2.8432 -2.8432 -2.8432 -2.4262 -2.4262 -2.4262 -2.4262 -1.6442 -1.6442 -1.6442 -1.6442 0.9890 0.9890 0.9890 0.9890 1.0737 1.0737 1.0737 1.0737 1.4452 1.4452 1.4452 1.4452 1.7393 1.7393 1.7393 1.7393 2.0107 2.0107 2.0107 2.0107 3.1662 3.1662 3.1662 3.1662 3.5096 3.5096 3.5096 3.5096 6.6796 6.6796 6.6796 6.6796 10.3350 10.3350 10.3350 10.3350 10.8058 10.8058 k =-0.1000 0.0360 0.4870 ( 4432 PWs) bands (ev): -19.1993 -19.1993 -19.1993 -19.1993 -13.9038 -13.9038 -13.9038 -13.9038 -4.4951 -4.4951 -4.4951 -4.4951 -2.8423 -2.8423 -2.8423 -2.8423 -2.4269 -2.4269 -2.4269 -2.4269 -1.6517 -1.6517 -1.6517 -1.6517 0.9815 0.9815 0.9815 0.9815 1.0807 1.0807 1.0807 1.0807 1.4429 1.4429 1.4429 1.4429 1.7434 1.7434 1.7434 1.7434 2.0113 2.0113 2.0113 2.0113 3.1702 3.1702 3.1702 3.1702 3.4955 3.4955 3.4955 3.4955 6.7027 6.7027 6.7027 6.7027 10.3183 10.3183 10.3183 10.3183 10.8110 10.8110 k =-0.1167 0.0420 0.4870 ( 4440 PWs) bands (ev): -19.1992 -19.1992 -19.1992 -19.1992 -13.9043 -13.9043 -13.9043 -13.9043 -4.4889 -4.4889 -4.4889 -4.4889 -2.8411 -2.8411 -2.8411 -2.8411 -2.4277 -2.4277 -2.4277 -2.4277 -1.6606 -1.6606 -1.6606 -1.6606 0.9741 0.9741 0.9741 0.9741 1.0875 1.0875 1.0875 1.0875 1.4407 1.4407 1.4407 1.4407 1.7477 1.7477 1.7477 1.7477 2.0124 2.0124 2.0124 2.0124 3.1747 3.1747 3.1747 3.1747 3.4789 3.4789 3.4789 3.4789 6.7294 6.7294 6.7294 6.7294 10.2990 10.2990 10.2990 10.2990 10.8168 10.8168 k =-0.1333 0.0481 0.4870 ( 4444 PWs) bands (ev): -19.1991 -19.1991 -19.1991 -19.1991 -13.9049 -13.9049 -13.9049 -13.9049 -4.4818 -4.4818 -4.4818 -4.4818 -2.8397 -2.8397 -2.8397 -2.8397 -2.4286 -2.4286 -2.4286 -2.4286 -1.6708 -1.6708 -1.6708 -1.6708 0.9669 0.9669 0.9669 0.9669 1.0938 1.0938 1.0938 1.0938 1.4389 1.4389 1.4389 1.4389 1.7520 1.7520 1.7520 1.7520 2.0140 2.0140 2.0140 2.0140 3.1797 3.1797 3.1797 3.1797 3.4602 3.4602 3.4602 3.4602 6.7594 6.7594 6.7594 6.7594 10.2776 10.2776 10.2776 10.2776 10.8231 10.8231 k =-0.1500 0.0541 0.4870 ( 4440 PWs) bands (ev): -19.1990 -19.1990 -19.1990 -19.1990 -13.9055 -13.9055 -13.9055 -13.9055 -4.4740 -4.4740 -4.4740 -4.4740 -2.8379 -2.8379 -2.8379 -2.8379 -2.4296 -2.4296 -2.4296 -2.4296 -1.6823 -1.6823 -1.6823 -1.6823 0.9598 0.9598 0.9598 0.9598 1.0997 1.0997 1.0997 1.0997 1.4376 1.4376 1.4376 1.4376 1.7561 1.7561 1.7561 1.7561 2.0166 2.0166 2.0166 2.0166 3.1852 3.1852 3.1852 3.1852 3.4394 3.4394 3.4394 3.4394 6.7923 6.7923 6.7923 6.7923 10.2541 10.2541 10.2541 10.2541 10.8297 10.8297 k =-0.1667 0.0601 0.4870 ( 4440 PWs) bands (ev): -19.1989 -19.1989 -19.1989 -19.1989 -13.9061 -13.9061 -13.9061 -13.9061 -4.4655 -4.4655 -4.4655 -4.4655 -2.8357 -2.8357 -2.8357 -2.8357 -2.4307 -2.4307 -2.4307 -2.4307 -1.6952 -1.6952 -1.6952 -1.6952 0.9530 0.9530 0.9530 0.9530 1.1051 1.1051 1.1051 1.1051 1.4371 1.4371 1.4371 1.4371 1.7597 1.7597 1.7597 1.7597 2.0200 2.0200 2.0200 2.0200 3.1910 3.1910 3.1910 3.1910 3.4168 3.4168 3.4168 3.4168 6.8279 6.8279 6.8279 6.8279 10.2290 10.2290 10.2290 10.2290 10.8363 10.8363 k =-0.1833 0.0661 0.4870 ( 4436 PWs) bands (ev): -19.1988 -19.1988 -19.1988 -19.1988 -13.9068 -13.9068 -13.9068 -13.9068 -4.4565 -4.4565 -4.4565 -4.4565 -2.8331 -2.8331 -2.8331 -2.8331 -2.4318 -2.4318 -2.4318 -2.4318 -1.7093 -1.7093 -1.7093 -1.7093 0.9465 0.9465 0.9465 0.9465 1.1098 1.1098 1.1098 1.1098 1.4374 1.4374 1.4374 1.4374 1.7627 1.7627 1.7627 1.7627 2.0247 2.0247 2.0247 2.0247 3.1971 3.1971 3.1971 3.1971 3.3925 3.3925 3.3925 3.3925 6.8658 6.8658 6.8658 6.8658 10.2026 10.2026 10.2026 10.2026 10.8428 10.8428 k =-0.2000 0.0721 0.4870 ( 4440 PWs) bands (ev): -19.1986 -19.1986 -19.1986 -19.1986 -13.9075 -13.9075 -13.9075 -13.9075 -4.4470 -4.4470 -4.4470 -4.4470 -2.8301 -2.8301 -2.8301 -2.8301 -2.4330 -2.4330 -2.4330 -2.4330 -1.7246 -1.7246 -1.7246 -1.7246 0.9403 0.9403 0.9403 0.9403 1.1138 1.1138 1.1138 1.1138 1.4387 1.4387 1.4387 1.4387 1.7649 1.7649 1.7649 1.7649 2.0307 2.0307 2.0307 2.0307 3.2030 3.2030 3.2030 3.2030 3.3670 3.3670 3.3670 3.3670 6.9055 6.9055 6.9055 6.9055 10.1750 10.1750 10.1750 10.1750 10.8489 10.8489 k =-0.2167 0.0781 0.4870 ( 4440 PWs) bands (ev): -19.1985 -19.1985 -19.1985 -19.1985 -13.9083 -13.9083 -13.9083 -13.9083 -4.4372 -4.4372 -4.4372 -4.4372 -2.8265 -2.8265 -2.8265 -2.8265 -2.4342 -2.4342 -2.4342 -2.4342 -1.7410 -1.7410 -1.7410 -1.7410 0.9344 0.9344 0.9344 0.9344 1.1171 1.1171 1.1171 1.1171 1.4411 1.4411 1.4411 1.4411 1.7662 1.7662 1.7662 1.7662 2.0382 2.0382 2.0382 2.0382 3.2085 3.2085 3.2085 3.2085 3.3406 3.3406 3.3406 3.3406 6.9466 6.9466 6.9466 6.9466 10.1468 10.1468 10.1468 10.1468 10.8546 10.8546 k =-0.2333 0.0841 0.4870 ( 4424 PWs) bands (ev): -19.1984 -19.1984 -19.1984 -19.1984 -13.9091 -13.9091 -13.9091 -13.9091 -4.4271 -4.4271 -4.4271 -4.4271 -2.8225 -2.8225 -2.8225 -2.8225 -2.4355 -2.4355 -2.4355 -2.4355 -1.7584 -1.7584 -1.7584 -1.7584 0.9289 0.9289 0.9289 0.9289 1.1198 1.1198 1.1198 1.1198 1.4446 1.4446 1.4446 1.4446 1.7665 1.7665 1.7665 1.7665 2.0473 2.0473 2.0473 2.0473 3.2128 3.2128 3.2128 3.2128 3.3144 3.3144 3.3144 3.3144 6.9888 6.9888 6.9888 6.9888 10.1181 10.1181 10.1181 10.1181 10.8596 10.8596 k =-0.2500 0.0901 0.4870 ( 4424 PWs) bands (ev): -19.1982 -19.1982 -19.1982 -19.1982 -13.9098 -13.9098 -13.9098 -13.9098 -4.4168 -4.4168 -4.4168 -4.4168 -2.8179 -2.8179 -2.8179 -2.8179 -2.4368 -2.4368 -2.4368 -2.4368 -1.7767 -1.7767 -1.7767 -1.7767 0.9238 0.9238 0.9238 0.9238 1.1218 1.1218 1.1218 1.1218 1.4490 1.4490 1.4490 1.4490 1.7658 1.7658 1.7658 1.7658 2.0579 2.0579 2.0579 2.0579 3.2137 3.2137 3.2137 3.2137 3.2904 3.2904 3.2904 3.2904 7.0315 7.0315 7.0315 7.0315 10.0893 10.0893 10.0893 10.0893 10.8638 10.8638 k =-0.2667 0.0961 0.4870 ( 4414 PWs) bands (ev): -19.1981 -19.1981 -19.1981 -19.1981 -13.9106 -13.9106 -13.9106 -13.9106 -4.4065 -4.4065 -4.4065 -4.4065 -2.8129 -2.8129 -2.8129 -2.8129 -2.4380 -2.4380 -2.4380 -2.4380 -1.7957 -1.7957 -1.7957 -1.7957 0.9191 0.9191 0.9191 0.9191 1.1232 1.1232 1.1232 1.1232 1.4545 1.4545 1.4545 1.4545 1.7641 1.7641 1.7641 1.7641 2.0700 2.0700 2.0700 2.0700 3.2069 3.2069 3.2069 3.2069 3.2733 3.2733 3.2733 3.2733 7.0743 7.0743 7.0743 7.0743 10.0608 10.0608 10.0608 10.0608 10.8670 10.8670 k =-0.2833 0.1021 0.4870 ( 4414 PWs) bands (ev): -19.1979 -19.1979 -19.1979 -19.1979 -13.9114 -13.9114 -13.9114 -13.9114 -4.3963 -4.3963 -4.3963 -4.3963 -2.8073 -2.8073 -2.8073 -2.8073 -2.4393 -2.4393 -2.4393 -2.4393 -1.8153 -1.8153 -1.8153 -1.8153 0.9147 0.9147 0.9147 0.9147 1.1240 1.1240 1.1240 1.1240 1.4609 1.4609 1.4609 1.4609 1.7614 1.7614 1.7614 1.7614 2.0836 2.0836 2.0836 2.0836 3.1888 3.1888 3.1888 3.1888 3.2668 3.2668 3.2668 3.2668 7.1168 7.1168 7.1168 7.1168 10.0328 10.0328 10.0328 10.0328 10.8693 10.8693 k =-0.3000 0.1081 0.4870 ( 4422 PWs) bands (ev): -19.1978 -19.1978 -19.1978 -19.1978 -13.9121 -13.9121 -13.9121 -13.9121 -4.3863 -4.3863 -4.3863 -4.3863 -2.8012 -2.8012 -2.8012 -2.8012 -2.4405 -2.4405 -2.4405 -2.4405 -1.8352 -1.8352 -1.8352 -1.8352 0.9108 0.9108 0.9108 0.9108 1.1242 1.1242 1.1242 1.1242 1.4680 1.4680 1.4680 1.4680 1.7578 1.7578 1.7578 1.7578 2.0985 2.0985 2.0985 2.0985 3.1627 3.1627 3.1627 3.1627 3.2677 3.2677 3.2677 3.2677 7.1584 7.1584 7.1584 7.1584 10.0055 10.0055 10.0055 10.0055 10.8706 10.8706 k =-0.3167 0.1141 0.4870 ( 4428 PWs) bands (ev): -19.1976 -19.1976 -19.1976 -19.1976 -13.9129 -13.9129 -13.9129 -13.9129 -4.3765 -4.3765 -4.3765 -4.3765 -2.7948 -2.7948 -2.7948 -2.7948 -2.4417 -2.4417 -2.4417 -2.4417 -1.8552 -1.8552 -1.8552 -1.8552 0.9073 0.9073 0.9073 0.9073 1.1241 1.1241 1.1241 1.1241 1.4757 1.4757 1.4757 1.4757 1.7535 1.7535 1.7535 1.7535 2.1146 2.1146 2.1146 2.1146 3.1331 3.1331 3.1331 3.1331 3.2717 3.2717 3.2717 3.2717 7.1988 7.1988 7.1988 7.1988 9.9794 9.9794 9.9794 9.9794 10.8710 10.8710 k =-0.3333 0.1201 0.4870 ( 4436 PWs) bands (ev): -19.1975 -19.1975 -19.1975 -19.1975 -13.9136 -13.9136 -13.9136 -13.9136 -4.3672 -4.3672 -4.3672 -4.3672 -2.7880 -2.7880 -2.7880 -2.7880 -2.4428 -2.4428 -2.4428 -2.4428 -1.8751 -1.8751 -1.8751 -1.8751 0.9041 0.9041 0.9041 0.9041 1.1237 1.1237 1.1237 1.1237 1.4838 1.4838 1.4838 1.4838 1.7486 1.7486 1.7486 1.7486 2.1316 2.1316 2.1316 2.1316 3.1023 3.1023 3.1023 3.1023 3.2768 3.2768 3.2768 3.2768 7.2375 7.2375 7.2375 7.2375 9.9546 9.9546 9.9546 9.9546 10.8706 10.8706 k =-0.3500 0.1261 0.4870 ( 4436 PWs) bands (ev): -19.1974 -19.1974 -19.1974 -19.1974 -13.9142 -13.9142 -13.9142 -13.9142 -4.3584 -4.3584 -4.3584 -4.3584 -2.7811 -2.7811 -2.7811 -2.7811 -2.4439 -2.4439 -2.4439 -2.4439 -1.8946 -1.8946 -1.8946 -1.8946 0.9014 0.9014 0.9014 0.9014 1.1231 1.1231 1.1231 1.1231 1.4923 1.4923 1.4923 1.4923 1.7432 1.7432 1.7432 1.7432 2.1492 2.1492 2.1492 2.1492 3.0714 3.0714 3.0714 3.0714 3.2823 3.2823 3.2823 3.2823 7.2741 7.2741 7.2741 7.2741 9.9314 9.9314 9.9314 9.9314 10.8695 10.8695 k =-0.3667 0.1321 0.4870 ( 4444 PWs) bands (ev): -19.1973 -19.1973 -19.1973 -19.1973 -13.9148 -13.9148 -13.9148 -13.9148 -4.3503 -4.3503 -4.3503 -4.3503 -2.7740 -2.7740 -2.7740 -2.7740 -2.4449 -2.4449 -2.4449 -2.4449 -1.9133 -1.9133 -1.9133 -1.9133 0.8990 0.8990 0.8990 0.8990 1.1223 1.1223 1.1223 1.1223 1.5008 1.5008 1.5008 1.5008 1.7375 1.7375 1.7375 1.7375 2.1672 2.1672 2.1672 2.1672 3.0410 3.0410 3.0410 3.0410 3.2876 3.2876 3.2876 3.2876 7.3081 7.3081 7.3081 7.3081 9.9101 9.9101 9.9101 9.9101 10.8679 10.8679 k =-0.3833 0.1381 0.4870 ( 4440 PWs) bands (ev): -19.1972 -19.1972 -19.1972 -19.1972 -13.9154 -13.9154 -13.9154 -13.9154 -4.3428 -4.3428 -4.3428 -4.3428 -2.7671 -2.7671 -2.7671 -2.7671 -2.4458 -2.4458 -2.4458 -2.4458 -1.9310 -1.9310 -1.9310 -1.9310 0.8970 0.8970 0.8970 0.8970 1.1214 1.1214 1.1214 1.1214 1.5093 1.5093 1.5093 1.5093 1.7317 1.7317 1.7317 1.7317 2.1851 2.1851 2.1851 2.1851 3.0118 3.0118 3.0118 3.0118 3.2927 3.2927 3.2927 3.2927 7.3391 7.3391 7.3391 7.3391 9.8907 9.8907 9.8907 9.8907 10.8661 10.8661 k =-0.4000 0.1442 0.4870 ( 4444 PWs) bands (ev): -19.1971 -19.1971 -19.1971 -19.1971 -13.9158 -13.9158 -13.9158 -13.9158 -4.3362 -4.3362 -4.3362 -4.3362 -2.7605 -2.7605 -2.7605 -2.7605 -2.4466 -2.4466 -2.4466 -2.4466 -1.9473 -1.9473 -1.9473 -1.9473 0.8953 0.8953 0.8953 0.8953 1.1206 1.1206 1.1206 1.1206 1.5174 1.5174 1.5174 1.5174 1.7259 1.7259 1.7259 1.7259 2.2025 2.2025 2.2025 2.2025 2.9844 2.9844 2.9844 2.9844 3.2973 3.2973 3.2973 3.2973 7.3669 7.3669 7.3669 7.3669 9.8736 9.8736 9.8736 9.8736 10.8641 10.8641 k =-0.4167 0.1502 0.4870 ( 4444 PWs) bands (ev): -19.1970 -19.1970 -19.1970 -19.1970 -13.9163 -13.9163 -13.9163 -13.9163 -4.3304 -4.3304 -4.3304 -4.3304 -2.7543 -2.7543 -2.7543 -2.7543 -2.4472 -2.4472 -2.4472 -2.4472 -1.9618 -1.9618 -1.9618 -1.9618 0.8940 0.8940 0.8940 0.8940 1.1197 1.1197 1.1197 1.1197 1.5250 1.5250 1.5250 1.5250 1.7204 1.7204 1.7204 1.7204 2.2188 2.2188 2.2188 2.2188 2.9595 2.9595 2.9595 2.9595 3.3014 3.3014 3.3014 3.3014 7.3909 7.3909 7.3909 7.3909 9.8588 9.8588 9.8588 9.8588 10.8621 10.8621 k =-0.4333 0.1562 0.4870 ( 4446 PWs) bands (ev): -19.1970 -19.1970 -19.1970 -19.1970 -13.9166 -13.9166 -13.9166 -13.9166 -4.3256 -4.3256 -4.3256 -4.3256 -2.7489 -2.7489 -2.7489 -2.7489 -2.4478 -2.4478 -2.4478 -2.4478 -1.9742 -1.9742 -1.9742 -1.9742 0.8929 0.8929 0.8929 0.8929 1.1190 1.1190 1.1190 1.1190 1.5318 1.5318 1.5318 1.5318 1.7153 1.7153 1.7153 1.7153 2.2335 2.2335 2.2335 2.2335 2.9377 2.9377 2.9377 2.9377 3.3048 3.3048 3.3048 3.3048 7.4110 7.4110 7.4110 7.4110 9.8465 9.8465 9.8465 9.8465 10.8604 10.8604 k =-0.4500 0.1622 0.4870 ( 4440 PWs) bands (ev): -19.1969 -19.1969 -19.1969 -19.1969 -13.9169 -13.9169 -13.9169 -13.9169 -4.3218 -4.3218 -4.3218 -4.3218 -2.7444 -2.7444 -2.7444 -2.7444 -2.4483 -2.4483 -2.4483 -2.4483 -1.9843 -1.9843 -1.9843 -1.9843 0.8920 0.8920 0.8920 0.8920 1.1184 1.1184 1.1184 1.1184 1.5375 1.5375 1.5375 1.5375 1.7110 1.7110 1.7110 1.7110 2.2459 2.2459 2.2459 2.2459 2.9197 2.9197 2.9197 2.9197 3.3075 3.3075 3.3075 3.3075 7.4269 7.4269 7.4269 7.4269 9.8368 9.8368 9.8368 9.8368 10.8589 10.8589 k =-0.4667 0.1682 0.4870 ( 4440 PWs) bands (ev): -19.1969 -19.1969 -19.1969 -19.1969 -13.9171 -13.9171 -13.9171 -13.9171 -4.3191 -4.3191 -4.3191 -4.3191 -2.7410 -2.7410 -2.7410 -2.7410 -2.4486 -2.4486 -2.4486 -2.4486 -1.9917 -1.9917 -1.9917 -1.9917 0.8915 0.8915 0.8915 0.8915 1.1179 1.1179 1.1179 1.1179 1.5418 1.5418 1.5418 1.5418 1.7076 1.7076 1.7076 1.7076 2.2553 2.2553 2.2553 2.2553 2.9063 2.9063 2.9063 2.9063 3.3095 3.3095 3.3095 3.3095 7.4384 7.4384 7.4384 7.4384 9.8299 9.8299 9.8299 9.8299 10.8578 10.8578 k =-0.4833 0.1742 0.4870 ( 4432 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.9172 -13.9172 -13.9172 -13.9172 -4.3174 -4.3174 -4.3174 -4.3174 -2.7390 -2.7390 -2.7390 -2.7390 -2.4488 -2.4488 -2.4488 -2.4488 -1.9962 -1.9962 -1.9962 -1.9962 0.8911 0.8911 0.8911 0.8911 1.1177 1.1177 1.1177 1.1177 1.5446 1.5446 1.5446 1.5446 1.7055 1.7055 1.7055 1.7055 2.2612 2.2612 2.2612 2.2612 2.8979 2.8979 2.8979 2.8979 3.3107 3.3107 3.3107 3.3107 7.4454 7.4454 7.4454 7.4454 9.8256 9.8256 9.8256 9.8256 10.8571 10.8571 k =-0.5000 0.1802 0.4870 ( 4428 PWs) bands (ev): -19.1968 -19.1968 -19.1968 -19.1968 -13.9173 -13.9173 -13.9173 -13.9173 -4.3169 -4.3169 -4.3169 -4.3169 -2.7383 -2.7383 -2.7383 -2.7383 -2.4489 -2.4489 -2.4489 -2.4489 -1.9977 -1.9977 -1.9977 -1.9977 0.8910 0.8910 0.8910 0.8910 1.1176 1.1176 1.1176 1.1176 1.5455 1.5455 1.5455 1.5455 1.7048 1.7048 1.7048 1.7048 2.2632 2.2632 2.2632 2.2632 2.8951 2.8951 2.8951 2.8951 3.3111 3.3111 3.3111 3.3111 7.4477 7.4477 7.4477 7.4477 9.8242 9.8242 9.8242 9.8242 10.8569 10.8569 Writing output data file AgCNO.save init_run : 0.36s CPU 0.59s WALL ( 1 calls) electrons : 276.62s CPU 281.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 276.61s CPU 281.47s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.10s WALL ( 376 calls) cegterg : 256.11s CPU 259.24s WALL ( 615 calls) Called by sum_band: Called by *egterg: h_psi : 136.72s CPU 138.80s WALL ( 10832 calls) s_psi : 7.22s CPU 7.09s WALL ( 10832 calls) g_psi : 0.38s CPU 0.35s WALL ( 9841 calls) cdiaghg : 101.16s CPU 102.50s WALL ( 10217 calls) cegterg:over : 10.44s CPU 10.54s WALL ( 9841 calls) cegterg:upda : 9.68s CPU 9.86s WALL ( 9841 calls) cegterg:last : 3.98s CPU 4.06s WALL ( 1367 calls) cdiaghg:chol : 5.55s CPU 5.85s WALL ( 10217 calls) cdiaghg:inve : 4.01s CPU 4.20s WALL ( 10217 calls) cdiaghg:para : 6.37s CPU 6.81s WALL ( 20434 calls) Called by h_psi: h_psi:vloc : 119.32s CPU 121.28s WALL ( 10832 calls) h_psi:vnl : 17.00s CPU 17.12s WALL ( 10832 calls) add_vuspsi : 8.20s CPU 8.30s WALL ( 10832 calls) General routines calbec : 8.74s CPU 8.80s WALL ( 10832 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 110.48s CPU 112.31s WALL ( 1136544 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.41s WALL ( 752 calls) Parallel routines fft_scatter : 33.62s CPU 34.58s WALL ( 1136567 calls) PWSCF : 4m58.67s CPU 5m35.63s WALL This run was terminated on: 16:46:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=