Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:57:27 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: ./TiNi.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized 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 33 33 9 992 992 156 Max 34 34 10 998 998 160 Sum 1215 1215 359 35833 35833 5727 bravais-lattice index = 14 lattice parameter (alat) = 8.7534 a.u. unit-cell volume = 370.6005 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.753400 celldm(2)= 0.623778 celldm(3)= 0.892338 celldm(4)= 0.120639 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 0.623778 0.000000 ) a(3) = ( 0.000000 0.107651 0.885821 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.603136 -0.194824 ) b(3) = ( 0.000000 0.000000 1.128896 ) PseudoPot. # 1 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Ni 10.00 58.69340 Ni( 1.00) Ti 12.00 47.86700 Ti( 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 373 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0000000 0.0144730), wk = 0.0026810 k( 3) = ( 0.0000000 0.0000000 0.0289461), wk = 0.0026810 k( 4) = ( 0.0000000 0.0000000 0.0434191), wk = 0.0026810 k( 5) = ( 0.0000000 0.0000000 0.0578921), wk = 0.0026810 k( 6) = ( 0.0000000 0.0000000 0.0723651), wk = 0.0026810 k( 7) = ( 0.0000000 0.0000000 0.0868382), wk = 0.0026810 k( 8) = ( 0.0000000 0.0000000 0.1013112), wk = 0.0026810 k( 9) = ( 0.0000000 0.0000000 0.1157842), wk = 0.0026810 k( 10) = ( 0.0000000 0.0000000 0.1302573), wk = 0.0026810 k( 11) = ( 0.0000000 0.0000000 0.1447303), wk = 0.0026810 k( 12) = ( 0.0000000 0.0000000 0.1592033), wk = 0.0026810 k( 13) = ( 0.0000000 0.0000000 0.1736763), wk = 0.0026810 k( 14) = ( 0.0000000 0.0000000 0.1881494), wk = 0.0026810 k( 15) = ( 0.0000000 0.0000000 0.2026224), wk = 0.0026810 k( 16) = ( 0.0000000 0.0000000 0.2170954), wk = 0.0026810 k( 17) = ( 0.0000000 0.0000000 0.2315685), wk = 0.0026810 k( 18) = ( 0.0000000 0.0000000 0.2460415), wk = 0.0026810 k( 19) = ( 0.0000000 0.0000000 0.2605145), wk = 0.0026810 k( 20) = ( 0.0000000 0.0000000 0.2749876), wk = 0.0026810 k( 21) = ( 0.0000000 0.0000000 0.2894606), wk = 0.0026810 k( 22) = ( 0.0000000 0.0000000 0.3039336), wk = 0.0026810 k( 23) = ( 0.0000000 0.0000000 0.3184066), wk = 0.0026810 k( 24) = ( 0.0000000 0.0000000 0.3328797), wk = 0.0026810 k( 25) = ( 0.0000000 0.0000000 0.3473527), wk = 0.0026810 k( 26) = ( 0.0000000 0.0000000 0.3618257), wk = 0.0026810 k( 27) = ( 0.0000000 0.0000000 0.3762988), wk = 0.0026810 k( 28) = ( 0.0000000 0.0000000 0.3907718), wk = 0.0026810 k( 29) = ( 0.0000000 0.0000000 0.4052448), wk = 0.0026810 k( 30) = ( 0.0000000 0.0000000 0.4197178), wk = 0.0026810 k( 31) = ( 0.0000000 0.0000000 0.4341909), wk = 0.0026810 k( 32) = ( 0.0000000 0.0000000 0.4486639), wk = 0.0026810 k( 33) = ( 0.0000000 0.0000000 0.4631369), wk = 0.0026810 k( 34) = ( 0.0000000 0.0000000 0.4776100), wk = 0.0026810 k( 35) = ( 0.0000000 0.0000000 0.4920830), wk = 0.0026810 k( 36) = ( 0.0000000 0.0000000 0.5065560), wk = 0.0026810 k( 37) = ( 0.0000000 0.0000000 0.5210290), wk = 0.0026810 k( 38) = ( 0.0000000 0.0000000 0.5355021), wk = 0.0026810 k( 39) = ( 0.0000000 0.0000000 0.5499751), wk = 0.0026810 k( 40) = ( 0.0000000 0.0000000 0.5644481), wk = 0.0026810 k( 41) = ( 0.0000000 0.0000000 0.5644481), wk = 0.0026810 k( 42) = ( 0.0000000 0.0146041 0.5644481), wk = 0.0026810 k( 43) = ( 0.0000000 0.0292082 0.5644481), wk = 0.0026810 k( 44) = ( 0.0000000 0.0438124 0.5644481), wk = 0.0026810 k( 45) = ( 0.0000000 0.0584165 0.5644481), wk = 0.0026810 k( 46) = ( 0.0000000 0.0730206 0.5644481), wk = 0.0026810 k( 47) = ( 0.0000000 0.0876247 0.5644481), wk = 0.0026810 k( 48) = ( 0.0000000 0.1022289 0.5644481), wk = 0.0026810 k( 49) = ( 0.0000000 0.1168330 0.5644481), wk = 0.0026810 k( 50) = ( 0.0000000 0.1314371 0.5644481), wk = 0.0026810 k( 51) = ( 0.0000000 0.1460412 0.5644481), wk = 0.0026810 k( 52) = ( 0.0000000 0.1606454 0.5644481), wk = 0.0026810 k( 53) = ( 0.0000000 0.1752495 0.5644481), wk = 0.0026810 k( 54) = ( 0.0000000 0.1898536 0.5644481), wk = 0.0026810 k( 55) = ( 0.0000000 0.2044577 0.5644481), wk = 0.0026810 k( 56) = ( 0.0000000 0.2190619 0.5644481), wk = 0.0026810 k( 57) = ( 0.0000000 0.2336660 0.5644481), wk = 0.0026810 k( 58) = ( 0.0000000 0.2482701 0.5644481), wk = 0.0026810 k( 59) = ( 0.0000000 0.2628742 0.5644481), wk = 0.0026810 k( 60) = ( 0.0000000 0.2774784 0.5644481), wk = 0.0026810 k( 61) = ( 0.0000000 0.2920825 0.5644481), wk = 0.0026810 k( 62) = ( 0.0000000 0.3066866 0.5644481), wk = 0.0026810 k( 63) = ( 0.0000000 0.3212907 0.5644481), wk = 0.0026810 k( 64) = ( 0.0000000 0.3358949 0.5644481), wk = 0.0026810 k( 65) = ( 0.0000000 0.3504990 0.5644481), wk = 0.0026810 k( 66) = ( 0.0000000 0.3651031 0.5644481), wk = 0.0026810 k( 67) = ( 0.0000000 0.3797072 0.5644481), wk = 0.0026810 k( 68) = ( 0.0000000 0.3943114 0.5644481), wk = 0.0026810 k( 69) = ( 0.0000000 0.4089155 0.5644481), wk = 0.0026810 k( 70) = ( 0.0000000 0.4235196 0.5644481), wk = 0.0026810 k( 71) = ( 0.0000000 0.4381237 0.5644481), wk = 0.0026810 k( 72) = ( 0.0000000 0.4527279 0.5644481), wk = 0.0026810 k( 73) = ( 0.0000000 0.4673320 0.5644481), wk = 0.0026810 k( 74) = ( 0.0000000 0.4819361 0.5644481), wk = 0.0026810 k( 75) = ( 0.0000000 0.4965402 0.5644481), wk = 0.0026810 k( 76) = ( 0.0000000 0.5111444 0.5644481), wk = 0.0026810 k( 77) = ( 0.0000000 0.5257485 0.5644481), wk = 0.0026810 k( 78) = ( 0.0000000 0.5403526 0.5644481), wk = 0.0026810 k( 79) = ( 0.0000000 0.5549567 0.5644481), wk = 0.0026810 k( 80) = ( 0.0000000 0.5695609 0.5644481), wk = 0.0026810 k( 81) = ( 0.0000000 0.5841650 0.5644481), wk = 0.0026810 k( 82) = ( 0.0000000 0.5987691 0.5644481), wk = 0.0026810 k( 83) = ( 0.0000000 0.6133732 0.5644481), wk = 0.0026810 k( 84) = ( 0.0000000 0.6279774 0.5644481), wk = 0.0026810 k( 85) = ( 0.0000000 0.6425815 0.5644481), wk = 0.0026810 k( 86) = ( 0.0000000 0.6571856 0.5644481), wk = 0.0026810 k( 87) = ( 0.0000000 0.6717897 0.5644481), wk = 0.0026810 k( 88) = ( 0.0000000 0.6863939 0.5644481), wk = 0.0026810 k( 89) = ( 0.0000000 0.7009980 0.5644481), wk = 0.0026810 k( 90) = ( 0.0000000 0.7156021 0.5644481), wk = 0.0026810 k( 91) = ( 0.0000000 0.7302062 0.5644481), wk = 0.0026810 k( 92) = ( 0.0000000 0.7448104 0.5644481), wk = 0.0026810 k( 93) = ( 0.0000000 0.7448104 0.5644481), wk = 0.0026810 k( 94) = ( 0.0000000 0.7519050 0.5522716), wk = 0.0026810 k( 95) = ( 0.0000000 0.7589997 0.5400951), wk = 0.0026810 k( 96) = ( 0.0000000 0.7660944 0.5279186), wk = 0.0026810 k( 97) = ( 0.0000000 0.7731891 0.5157421), wk = 0.0026810 k( 98) = ( 0.0000000 0.7802838 0.5035656), wk = 0.0026810 k( 99) = ( 0.0000000 0.7873784 0.4913891), wk = 0.0026810 k( 100) = ( 0.0000000 0.7944731 0.4792126), wk = 0.0026810 k( 101) = ( 0.0000000 0.8015678 0.4670361), wk = 0.0026810 k( 102) = ( 0.0000000 0.8015678 0.4670361), wk = 0.0026810 k( 103) = ( 0.0147059 0.8015678 0.4670361), wk = 0.0026810 k( 104) = ( 0.0294118 0.8015678 0.4670361), wk = 0.0026810 k( 105) = ( 0.0441177 0.8015678 0.4670361), wk = 0.0026810 k( 106) = ( 0.0588235 0.8015678 0.4670361), wk = 0.0026810 k( 107) = ( 0.0735294 0.8015678 0.4670361), wk = 0.0026810 k( 108) = ( 0.0882353 0.8015678 0.4670361), wk = 0.0026810 k( 109) = ( 0.1029412 0.8015678 0.4670361), wk = 0.0026810 k( 110) = ( 0.1176471 0.8015678 0.4670361), wk = 0.0026810 k( 111) = ( 0.1323529 0.8015678 0.4670361), wk = 0.0026810 k( 112) = ( 0.1470588 0.8015678 0.4670361), wk = 0.0026810 k( 113) = ( 0.1617647 0.8015678 0.4670361), wk = 0.0026810 k( 114) = ( 0.1764706 0.8015678 0.4670361), wk = 0.0026810 k( 115) = ( 0.1911765 0.8015678 0.4670361), wk = 0.0026810 k( 116) = ( 0.2058823 0.8015678 0.4670361), wk = 0.0026810 k( 117) = ( 0.2205882 0.8015678 0.4670361), wk = 0.0026810 k( 118) = ( 0.2352941 0.8015678 0.4670361), wk = 0.0026810 k( 119) = ( 0.2500000 0.8015678 0.4670361), wk = 0.0026810 k( 120) = ( 0.2647059 0.8015678 0.4670361), wk = 0.0026810 k( 121) = ( 0.2794118 0.8015678 0.4670361), wk = 0.0026810 k( 122) = ( 0.2941177 0.8015678 0.4670361), wk = 0.0026810 k( 123) = ( 0.3088235 0.8015678 0.4670361), wk = 0.0026810 k( 124) = ( 0.3235294 0.8015678 0.4670361), wk = 0.0026810 k( 125) = ( 0.3382353 0.8015678 0.4670361), wk = 0.0026810 k( 126) = ( 0.3529412 0.8015678 0.4670361), wk = 0.0026810 k( 127) = ( 0.3676471 0.8015678 0.4670361), wk = 0.0026810 k( 128) = ( 0.3823529 0.8015678 0.4670361), wk = 0.0026810 k( 129) = ( 0.3970588 0.8015678 0.4670361), wk = 0.0026810 k( 130) = ( 0.4117647 0.8015678 0.4670361), wk = 0.0026810 k( 131) = ( 0.4264706 0.8015678 0.4670361), wk = 0.0026810 k( 132) = ( 0.4411765 0.8015678 0.4670361), wk = 0.0026810 k( 133) = ( 0.4558823 0.8015678 0.4670361), wk = 0.0026810 k( 134) = ( 0.4705882 0.8015678 0.4670361), wk = 0.0026810 k( 135) = ( 0.4852941 0.8015678 0.4670361), wk = 0.0026810 k( 136) = ( 0.5000000 0.8015678 0.4670361), wk = 0.0026810 k( 137) = ( 0.5000000 0.8015678 0.4670361), wk = 0.0026810 k( 138) = ( 0.5000000 0.8086625 0.4548596), wk = 0.0026810 k( 139) = ( 0.5000000 0.8157572 0.4426831), wk = 0.0026810 k( 140) = ( 0.5000000 0.8228518 0.4305066), wk = 0.0026810 k( 141) = ( 0.5000000 0.8299465 0.4183301), wk = 0.0026810 k( 142) = ( 0.5000000 0.8370412 0.4061536), wk = 0.0026810 k( 143) = ( 0.5000000 0.8441359 0.3939771), wk = 0.0026810 k( 144) = ( 0.5000000 0.8512306 0.3818006), wk = 0.0026810 k( 145) = ( 0.5000000 0.8583252 0.3696241), wk = 0.0026810 k( 146) = ( 0.5000000 0.8583252 0.3696241), wk = 0.0026810 k( 147) = ( 0.5000000 0.8565516 0.3550292), wk = 0.0026810 k( 148) = ( 0.5000000 0.8547779 0.3404343), wk = 0.0026810 k( 149) = ( 0.5000000 0.8530042 0.3258394), wk = 0.0026810 k( 150) = ( 0.5000000 0.8512306 0.3112446), wk = 0.0026810 k( 151) = ( 0.5000000 0.8494569 0.2966497), wk = 0.0026810 k( 152) = ( 0.5000000 0.8476832 0.2820548), wk = 0.0026810 k( 153) = ( 0.5000000 0.8459096 0.2674599), wk = 0.0026810 k( 154) = ( 0.5000000 0.8441359 0.2528650), wk = 0.0026810 k( 155) = ( 0.5000000 0.8423622 0.2382702), wk = 0.0026810 k( 156) = ( 0.5000000 0.8405885 0.2236753), wk = 0.0026810 k( 157) = ( 0.5000000 0.8388149 0.2090804), wk = 0.0026810 k( 158) = ( 0.5000000 0.8370412 0.1944855), wk = 0.0026810 k( 159) = ( 0.5000000 0.8352675 0.1798906), wk = 0.0026810 k( 160) = ( 0.5000000 0.8334939 0.1652958), wk = 0.0026810 k( 161) = ( 0.5000000 0.8317202 0.1507009), wk = 0.0026810 k( 162) = ( 0.5000000 0.8299465 0.1361060), wk = 0.0026810 k( 163) = ( 0.5000000 0.8281728 0.1215111), wk = 0.0026810 k( 164) = ( 0.5000000 0.8263992 0.1069163), wk = 0.0026810 k( 165) = ( 0.5000000 0.8246255 0.0923214), wk = 0.0026810 k( 166) = ( 0.5000000 0.8228518 0.0777265), wk = 0.0026810 k( 167) = ( 0.5000000 0.8210782 0.0631316), wk = 0.0026810 k( 168) = ( 0.5000000 0.8193045 0.0485367), wk = 0.0026810 k( 169) = ( 0.5000000 0.8175308 0.0339419), wk = 0.0026810 k( 170) = ( 0.5000000 0.8157572 0.0193470), wk = 0.0026810 k( 171) = ( 0.5000000 0.8139835 0.0047521), wk = 0.0026810 k( 172) = ( 0.5000000 0.8122098 -0.0098428), wk = 0.0026810 k( 173) = ( 0.5000000 0.8104362 -0.0244377), wk = 0.0026810 k( 174) = ( 0.5000000 0.8086625 -0.0390325), wk = 0.0026810 k( 175) = ( 0.5000000 0.8068888 -0.0536274), wk = 0.0026810 k( 176) = ( 0.5000000 0.8051151 -0.0682223), wk = 0.0026810 k( 177) = ( 0.5000000 0.8033415 -0.0828172), wk = 0.0026810 k( 178) = ( 0.5000000 0.8015678 -0.0974120), wk = 0.0026810 k( 179) = ( 0.5000000 0.8015678 -0.0974120), wk = 0.0026810 k( 180) = ( 0.4852941 0.8015678 -0.0974120), wk = 0.0026810 k( 181) = ( 0.4705882 0.8015678 -0.0974120), wk = 0.0026810 k( 182) = ( 0.4558823 0.8015678 -0.0974120), wk = 0.0026810 k( 183) = ( 0.4411765 0.8015678 -0.0974120), wk = 0.0026810 k( 184) = ( 0.4264706 0.8015678 -0.0974120), wk = 0.0026810 k( 185) = ( 0.4117647 0.8015678 -0.0974120), wk = 0.0026810 k( 186) = ( 0.3970588 0.8015678 -0.0974120), wk = 0.0026810 k( 187) = ( 0.3823529 0.8015678 -0.0974120), wk = 0.0026810 k( 188) = ( 0.3676471 0.8015678 -0.0974120), wk = 0.0026810 k( 189) = ( 0.3529412 0.8015678 -0.0974120), wk = 0.0026810 k( 190) = ( 0.3382353 0.8015678 -0.0974120), wk = 0.0026810 k( 191) = ( 0.3235294 0.8015678 -0.0974120), wk = 0.0026810 k( 192) = ( 0.3088235 0.8015678 -0.0974120), wk = 0.0026810 k( 193) = ( 0.2941177 0.8015678 -0.0974120), wk = 0.0026810 k( 194) = ( 0.2794118 0.8015678 -0.0974120), wk = 0.0026810 k( 195) = ( 0.2647059 0.8015678 -0.0974120), wk = 0.0026810 k( 196) = ( 0.2500000 0.8015678 -0.0974120), wk = 0.0026810 k( 197) = ( 0.2352941 0.8015678 -0.0974120), wk = 0.0026810 k( 198) = ( 0.2205882 0.8015678 -0.0974120), wk = 0.0026810 k( 199) = ( 0.2058823 0.8015678 -0.0974120), wk = 0.0026810 k( 200) = ( 0.1911765 0.8015678 -0.0974120), wk = 0.0026810 k( 201) = ( 0.1764706 0.8015678 -0.0974120), wk = 0.0026810 k( 202) = ( 0.1617647 0.8015678 -0.0974120), wk = 0.0026810 k( 203) = ( 0.1470588 0.8015678 -0.0974120), wk = 0.0026810 k( 204) = ( 0.1323529 0.8015678 -0.0974120), wk = 0.0026810 k( 205) = ( 0.1176471 0.8015678 -0.0974120), wk = 0.0026810 k( 206) = ( 0.1029412 0.8015678 -0.0974120), wk = 0.0026810 k( 207) = ( 0.0882353 0.8015678 -0.0974120), wk = 0.0026810 k( 208) = ( 0.0735294 0.8015678 -0.0974120), wk = 0.0026810 k( 209) = ( 0.0588235 0.8015678 -0.0974120), wk = 0.0026810 k( 210) = ( 0.0441177 0.8015678 -0.0974120), wk = 0.0026810 k( 211) = ( 0.0294118 0.8015678 -0.0974120), wk = 0.0026810 k( 212) = ( 0.0147059 0.8015678 -0.0974120), wk = 0.0026810 k( 213) = ( 0.0000000 0.8015678 -0.0974120), wk = 0.0026810 k( 214) = ( 0.0000000 0.8015678 -0.0974120), wk = 0.0026810 k( 215) = ( 0.0000000 0.8033415 -0.0828172), wk = 0.0026810 k( 216) = ( 0.0000000 0.8051151 -0.0682223), wk = 0.0026810 k( 217) = ( 0.0000000 0.8068888 -0.0536274), wk = 0.0026810 k( 218) = ( 0.0000000 0.8086625 -0.0390325), wk = 0.0026810 k( 219) = ( 0.0000000 0.8104362 -0.0244377), wk = 0.0026810 k( 220) = ( 0.0000000 0.8122098 -0.0098428), wk = 0.0026810 k( 221) = ( 0.0000000 0.8139835 0.0047521), wk = 0.0026810 k( 222) = ( 0.0000000 0.8157572 0.0193470), wk = 0.0026810 k( 223) = ( 0.0000000 0.8175308 0.0339419), wk = 0.0026810 k( 224) = ( 0.0000000 0.8193045 0.0485367), wk = 0.0026810 k( 225) = ( 0.0000000 0.8210782 0.0631316), wk = 0.0026810 k( 226) = ( 0.0000000 0.8228518 0.0777265), wk = 0.0026810 k( 227) = ( 0.0000000 0.8246255 0.0923214), wk = 0.0026810 k( 228) = ( 0.0000000 0.8263992 0.1069163), wk = 0.0026810 k( 229) = ( 0.0000000 0.8281728 0.1215111), wk = 0.0026810 k( 230) = ( 0.0000000 0.8299465 0.1361060), wk = 0.0026810 k( 231) = ( 0.0000000 0.8317202 0.1507009), wk = 0.0026810 k( 232) = ( 0.0000000 0.8334939 0.1652958), wk = 0.0026810 k( 233) = ( 0.0000000 0.8352675 0.1798906), wk = 0.0026810 k( 234) = ( 0.0000000 0.8370412 0.1944855), wk = 0.0026810 k( 235) = ( 0.0000000 0.8388149 0.2090804), wk = 0.0026810 k( 236) = ( 0.0000000 0.8405885 0.2236753), wk = 0.0026810 k( 237) = ( 0.0000000 0.8423622 0.2382702), wk = 0.0026810 k( 238) = ( 0.0000000 0.8441359 0.2528650), wk = 0.0026810 k( 239) = ( 0.0000000 0.8459096 0.2674599), wk = 0.0026810 k( 240) = ( 0.0000000 0.8476832 0.2820548), wk = 0.0026810 k( 241) = ( 0.0000000 0.8494569 0.2966497), wk = 0.0026810 k( 242) = ( 0.0000000 0.8512306 0.3112446), wk = 0.0026810 k( 243) = ( 0.0000000 0.8530042 0.3258394), wk = 0.0026810 k( 244) = ( 0.0000000 0.8547779 0.3404343), wk = 0.0026810 k( 245) = ( 0.0000000 0.8565516 0.3550292), wk = 0.0026810 k( 246) = ( 0.0000000 0.8583252 0.3696241), wk = 0.0026810 k( 247) = ( 0.5000000 0.7448104 0.5644481), wk = 0.0026810 k( 248) = ( 0.5000000 0.7302062 0.5644481), wk = 0.0026810 k( 249) = ( 0.5000000 0.7156021 0.5644481), wk = 0.0026810 k( 250) = ( 0.5000000 0.7009980 0.5644481), wk = 0.0026810 k( 251) = ( 0.5000000 0.6863939 0.5644481), wk = 0.0026810 k( 252) = ( 0.5000000 0.6717897 0.5644481), wk = 0.0026810 k( 253) = ( 0.5000000 0.6571856 0.5644481), wk = 0.0026810 k( 254) = ( 0.5000000 0.6425815 0.5644481), wk = 0.0026810 k( 255) = ( 0.5000000 0.6279774 0.5644481), wk = 0.0026810 k( 256) = ( 0.5000000 0.6133732 0.5644481), wk = 0.0026810 k( 257) = ( 0.5000000 0.5987691 0.5644481), wk = 0.0026810 k( 258) = ( 0.5000000 0.5841650 0.5644481), wk = 0.0026810 k( 259) = ( 0.5000000 0.5695609 0.5644481), wk = 0.0026810 k( 260) = ( 0.5000000 0.5549567 0.5644481), wk = 0.0026810 k( 261) = ( 0.5000000 0.5403526 0.5644481), wk = 0.0026810 k( 262) = ( 0.5000000 0.5257485 0.5644481), wk = 0.0026810 k( 263) = ( 0.5000000 0.5111444 0.5644481), wk = 0.0026810 k( 264) = ( 0.5000000 0.4965402 0.5644481), wk = 0.0026810 k( 265) = ( 0.5000000 0.4819361 0.5644481), wk = 0.0026810 k( 266) = ( 0.5000000 0.4673320 0.5644481), wk = 0.0026810 k( 267) = ( 0.5000000 0.4527279 0.5644481), wk = 0.0026810 k( 268) = ( 0.5000000 0.4381237 0.5644481), wk = 0.0026810 k( 269) = ( 0.5000000 0.4235196 0.5644481), wk = 0.0026810 k( 270) = ( 0.5000000 0.4089155 0.5644481), wk = 0.0026810 k( 271) = ( 0.5000000 0.3943114 0.5644481), wk = 0.0026810 k( 272) = ( 0.5000000 0.3797072 0.5644481), wk = 0.0026810 k( 273) = ( 0.5000000 0.3651031 0.5644481), wk = 0.0026810 k( 274) = ( 0.5000000 0.3504990 0.5644481), wk = 0.0026810 k( 275) = ( 0.5000000 0.3358949 0.5644481), wk = 0.0026810 k( 276) = ( 0.5000000 0.3212907 0.5644481), wk = 0.0026810 k( 277) = ( 0.5000000 0.3066866 0.5644481), wk = 0.0026810 k( 278) = ( 0.5000000 0.2920825 0.5644481), wk = 0.0026810 k( 279) = ( 0.5000000 0.2774784 0.5644481), wk = 0.0026810 k( 280) = ( 0.5000000 0.2628742 0.5644481), wk = 0.0026810 k( 281) = ( 0.5000000 0.2482701 0.5644481), wk = 0.0026810 k( 282) = ( 0.5000000 0.2336660 0.5644481), wk = 0.0026810 k( 283) = ( 0.5000000 0.2190619 0.5644481), wk = 0.0026810 k( 284) = ( 0.5000000 0.2044577 0.5644481), wk = 0.0026810 k( 285) = ( 0.5000000 0.1898536 0.5644481), wk = 0.0026810 k( 286) = ( 0.5000000 0.1752495 0.5644481), wk = 0.0026810 k( 287) = ( 0.5000000 0.1606454 0.5644481), wk = 0.0026810 k( 288) = ( 0.5000000 0.1460412 0.5644481), wk = 0.0026810 k( 289) = ( 0.5000000 0.1314371 0.5644481), wk = 0.0026810 k( 290) = ( 0.5000000 0.1168330 0.5644481), wk = 0.0026810 k( 291) = ( 0.5000000 0.1022289 0.5644481), wk = 0.0026810 k( 292) = ( 0.5000000 0.0876247 0.5644481), wk = 0.0026810 k( 293) = ( 0.5000000 0.0730206 0.5644481), wk = 0.0026810 k( 294) = ( 0.5000000 0.0584165 0.5644481), wk = 0.0026810 k( 295) = ( 0.5000000 0.0438124 0.5644481), wk = 0.0026810 k( 296) = ( 0.5000000 0.0292082 0.5644481), wk = 0.0026810 k( 297) = ( 0.5000000 0.0146041 0.5644481), wk = 0.0026810 k( 298) = ( 0.5000000 -0.0000000 0.5644481), wk = 0.0026810 k( 299) = ( 0.5000000 -0.0000000 0.5644481), wk = 0.0026810 k( 300) = ( 0.5000000 -0.0000000 0.5499751), wk = 0.0026810 k( 301) = ( 0.5000000 -0.0000000 0.5355021), wk = 0.0026810 k( 302) = ( 0.5000000 -0.0000000 0.5210290), wk = 0.0026810 k( 303) = ( 0.5000000 -0.0000000 0.5065560), wk = 0.0026810 k( 304) = ( 0.5000000 -0.0000000 0.4920830), wk = 0.0026810 k( 305) = ( 0.5000000 -0.0000000 0.4776100), wk = 0.0026810 k( 306) = ( 0.5000000 -0.0000000 0.4631369), wk = 0.0026810 k( 307) = ( 0.5000000 -0.0000000 0.4486639), wk = 0.0026810 k( 308) = ( 0.5000000 -0.0000000 0.4341909), wk = 0.0026810 k( 309) = ( 0.5000000 -0.0000000 0.4197178), wk = 0.0026810 k( 310) = ( 0.5000000 -0.0000000 0.4052448), wk = 0.0026810 k( 311) = ( 0.5000000 -0.0000000 0.3907718), wk = 0.0026810 k( 312) = ( 0.5000000 -0.0000000 0.3762988), wk = 0.0026810 k( 313) = ( 0.5000000 -0.0000000 0.3618257), wk = 0.0026810 k( 314) = ( 0.5000000 -0.0000000 0.3473527), wk = 0.0026810 k( 315) = ( 0.5000000 -0.0000000 0.3328797), wk = 0.0026810 k( 316) = ( 0.5000000 -0.0000000 0.3184066), wk = 0.0026810 k( 317) = ( 0.5000000 -0.0000000 0.3039336), wk = 0.0026810 k( 318) = ( 0.5000000 -0.0000000 0.2894606), wk = 0.0026810 k( 319) = ( 0.5000000 -0.0000000 0.2749876), wk = 0.0026810 k( 320) = ( 0.5000000 -0.0000000 0.2605145), wk = 0.0026810 k( 321) = ( 0.5000000 -0.0000000 0.2460415), wk = 0.0026810 k( 322) = ( 0.5000000 -0.0000000 0.2315685), wk = 0.0026810 k( 323) = ( 0.5000000 -0.0000000 0.2170954), wk = 0.0026810 k( 324) = ( 0.5000000 -0.0000000 0.2026224), wk = 0.0026810 k( 325) = ( 0.5000000 -0.0000000 0.1881494), wk = 0.0026810 k( 326) = ( 0.5000000 -0.0000000 0.1736763), wk = 0.0026810 k( 327) = ( 0.5000000 -0.0000000 0.1592033), wk = 0.0026810 k( 328) = ( 0.5000000 -0.0000000 0.1447303), wk = 0.0026810 k( 329) = ( 0.5000000 -0.0000000 0.1302573), wk = 0.0026810 k( 330) = ( 0.5000000 -0.0000000 0.1157842), wk = 0.0026810 k( 331) = ( 0.5000000 -0.0000000 0.1013112), wk = 0.0026810 k( 332) = ( 0.5000000 -0.0000000 0.0868382), wk = 0.0026810 k( 333) = ( 0.5000000 -0.0000000 0.0723651), wk = 0.0026810 k( 334) = ( 0.5000000 -0.0000000 0.0578921), wk = 0.0026810 k( 335) = ( 0.5000000 -0.0000000 0.0434191), wk = 0.0026810 k( 336) = ( 0.5000000 -0.0000000 0.0289461), wk = 0.0026810 k( 337) = ( 0.5000000 -0.0000000 0.0144730), wk = 0.0026810 k( 338) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0026810 k( 339) = ( 0.0000000 0.0000000 0.5644481), wk = 0.0026810 k( 340) = ( 0.0147059 -0.0000000 0.5644481), wk = 0.0026810 k( 341) = ( 0.0294118 -0.0000000 0.5644481), wk = 0.0026810 k( 342) = ( 0.0441177 -0.0000000 0.5644481), wk = 0.0026810 k( 343) = ( 0.0588235 -0.0000000 0.5644481), wk = 0.0026810 k( 344) = ( 0.0735294 -0.0000000 0.5644481), wk = 0.0026810 k( 345) = ( 0.0882353 -0.0000000 0.5644481), wk = 0.0026810 k( 346) = ( 0.1029412 -0.0000000 0.5644481), wk = 0.0026810 k( 347) = ( 0.1176471 -0.0000000 0.5644481), wk = 0.0026810 k( 348) = ( 0.1323529 -0.0000000 0.5644481), wk = 0.0026810 k( 349) = ( 0.1470588 -0.0000000 0.5644481), wk = 0.0026810 k( 350) = ( 0.1617647 -0.0000000 0.5644481), wk = 0.0026810 k( 351) = ( 0.1764706 -0.0000000 0.5644481), wk = 0.0026810 k( 352) = ( 0.1911765 -0.0000000 0.5644481), wk = 0.0026810 k( 353) = ( 0.2058823 -0.0000000 0.5644481), wk = 0.0026810 k( 354) = ( 0.2205882 -0.0000000 0.5644481), wk = 0.0026810 k( 355) = ( 0.2352941 -0.0000000 0.5644481), wk = 0.0026810 k( 356) = ( 0.2500000 -0.0000000 0.5644481), wk = 0.0026810 k( 357) = ( 0.2647059 -0.0000000 0.5644481), wk = 0.0026810 k( 358) = ( 0.2794118 -0.0000000 0.5644481), wk = 0.0026810 k( 359) = ( 0.2941177 -0.0000000 0.5644481), wk = 0.0026810 k( 360) = ( 0.3088235 -0.0000000 0.5644481), wk = 0.0026810 k( 361) = ( 0.3235294 -0.0000000 0.5644481), wk = 0.0026810 k( 362) = ( 0.3382353 -0.0000000 0.5644481), wk = 0.0026810 k( 363) = ( 0.3529412 -0.0000000 0.5644481), wk = 0.0026810 k( 364) = ( 0.3676471 -0.0000000 0.5644481), wk = 0.0026810 k( 365) = ( 0.3823529 -0.0000000 0.5644481), wk = 0.0026810 k( 366) = ( 0.3970588 -0.0000000 0.5644481), wk = 0.0026810 k( 367) = ( 0.4117647 -0.0000000 0.5644481), wk = 0.0026810 k( 368) = ( 0.4264706 -0.0000000 0.5644481), wk = 0.0026810 k( 369) = ( 0.4411765 -0.0000000 0.5644481), wk = 0.0026810 k( 370) = ( 0.4558823 -0.0000000 0.5644481), wk = 0.0026810 k( 371) = ( 0.4705882 -0.0000000 0.5644481), wk = 0.0026810 k( 372) = ( 0.4852941 -0.0000000 0.5644481), wk = 0.0026810 k( 373) = ( 0.5000000 -0.0000000 0.5644481), wk = 0.0026810 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026810 k( 2) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0026810 k( 3) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0026810 k( 4) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026810 k( 5) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0026810 k( 6) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0026810 k( 7) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026810 k( 8) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0026810 k( 9) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0026810 k( 10) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026810 k( 11) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0026810 k( 12) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0026810 k( 13) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026810 k( 14) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026810 k( 15) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0026810 k( 16) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026810 k( 17) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0026810 k( 18) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0026810 k( 19) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026810 k( 20) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0026810 k( 21) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0026810 k( 22) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026810 k( 23) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0026810 k( 24) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0026810 k( 25) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026810 k( 26) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0026810 k( 27) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026810 k( 28) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026810 k( 29) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0026810 k( 30) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0026810 k( 31) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026810 k( 32) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0026810 k( 33) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0026810 k( 34) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026810 k( 35) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0026810 k( 36) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0026810 k( 37) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026810 k( 38) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0026810 k( 39) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0026810 k( 40) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 41) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 42) = ( 0.0000000 0.0091097 0.5015721), wk = 0.0026810 k( 43) = ( 0.0000000 0.0182195 0.5031443), wk = 0.0026810 k( 44) = ( 0.0000000 0.0273292 0.5047164), wk = 0.0026810 k( 45) = ( 0.0000000 0.0364389 0.5062886), wk = 0.0026810 k( 46) = ( 0.0000000 0.0455486 0.5078607), wk = 0.0026810 k( 47) = ( 0.0000000 0.0546583 0.5094329), wk = 0.0026810 k( 48) = ( 0.0000000 0.0637681 0.5110050), wk = 0.0026810 k( 49) = ( 0.0000000 0.0728778 0.5125772), wk = 0.0026810 k( 50) = ( 0.0000000 0.0819875 0.5141493), wk = 0.0026810 k( 51) = ( 0.0000000 0.0910972 0.5157215), wk = 0.0026810 k( 52) = ( 0.0000000 0.1002070 0.5172937), wk = 0.0026810 k( 53) = ( 0.0000000 0.1093167 0.5188658), wk = 0.0026810 k( 54) = ( 0.0000000 0.1184264 0.5204379), wk = 0.0026810 k( 55) = ( 0.0000000 0.1275361 0.5220101), wk = 0.0026810 k( 56) = ( 0.0000000 0.1366459 0.5235822), wk = 0.0026810 k( 57) = ( 0.0000000 0.1457556 0.5251544), wk = 0.0026810 k( 58) = ( 0.0000000 0.1548653 0.5267265), wk = 0.0026810 k( 59) = ( 0.0000000 0.1639750 0.5282987), wk = 0.0026810 k( 60) = ( 0.0000000 0.1730848 0.5298708), wk = 0.0026810 k( 61) = ( 0.0000000 0.1821945 0.5314430), wk = 0.0026810 k( 62) = ( 0.0000000 0.1913042 0.5330151), wk = 0.0026810 k( 63) = ( 0.0000000 0.2004139 0.5345873), wk = 0.0026810 k( 64) = ( 0.0000000 0.2095237 0.5361594), wk = 0.0026810 k( 65) = ( 0.0000000 0.2186334 0.5377316), wk = 0.0026810 k( 66) = ( 0.0000000 0.2277431 0.5393037), wk = 0.0026810 k( 67) = ( 0.0000000 0.2368528 0.5408759), wk = 0.0026810 k( 68) = ( 0.0000000 0.2459626 0.5424480), wk = 0.0026810 k( 69) = ( 0.0000000 0.2550723 0.5440202), wk = 0.0026810 k( 70) = ( 0.0000000 0.2641820 0.5455923), wk = 0.0026810 k( 71) = ( 0.0000000 0.2732917 0.5471645), wk = 0.0026810 k( 72) = ( 0.0000000 0.2824015 0.5487366), wk = 0.0026810 k( 73) = ( 0.0000000 0.2915112 0.5503088), wk = 0.0026810 k( 74) = ( 0.0000000 0.3006209 0.5518809), wk = 0.0026810 k( 75) = ( 0.0000000 0.3097306 0.5534531), wk = 0.0026810 k( 76) = ( 0.0000000 0.3188404 0.5550252), wk = 0.0026810 k( 77) = ( 0.0000000 0.3279501 0.5565974), wk = 0.0026810 k( 78) = ( 0.0000000 0.3370598 0.5581695), wk = 0.0026810 k( 79) = ( 0.0000000 0.3461695 0.5597417), wk = 0.0026810 k( 80) = ( 0.0000000 0.3552793 0.5613138), wk = 0.0026810 k( 81) = ( 0.0000000 0.3643890 0.5628860), wk = 0.0026810 k( 82) = ( 0.0000000 0.3734987 0.5644581), wk = 0.0026810 k( 83) = ( 0.0000000 0.3826085 0.5660303), wk = 0.0026810 k( 84) = ( 0.0000000 0.3917182 0.5676024), wk = 0.0026810 k( 85) = ( 0.0000000 0.4008279 0.5691746), wk = 0.0026810 k( 86) = ( 0.0000000 0.4099376 0.5707467), wk = 0.0026810 k( 87) = ( 0.0000000 0.4190474 0.5723189), wk = 0.0026810 k( 88) = ( 0.0000000 0.4281571 0.5738910), wk = 0.0026810 k( 89) = ( 0.0000000 0.4372668 0.5754632), wk = 0.0026810 k( 90) = ( 0.0000000 0.4463765 0.5770353), wk = 0.0026810 k( 91) = ( 0.0000000 0.4554863 0.5786075), wk = 0.0026810 k( 92) = ( 0.0000000 0.4645960 0.5801796), wk = 0.0026810 k( 93) = ( 0.0000000 0.4645960 0.5801796), wk = 0.0026810 k( 94) = ( 0.0000000 0.4690215 0.5701572), wk = 0.0026810 k( 95) = ( 0.0000000 0.4734470 0.5601347), wk = 0.0026810 k( 96) = ( 0.0000000 0.4778725 0.5501123), wk = 0.0026810 k( 97) = ( 0.0000000 0.4822980 0.5400898), wk = 0.0026810 k( 98) = ( 0.0000000 0.4867235 0.5300674), wk = 0.0026810 k( 99) = ( 0.0000000 0.4911490 0.5200449), wk = 0.0026810 k( 100) = ( 0.0000000 0.4955745 0.5100225), wk = 0.0026810 k( 101) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 102) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026810 k( 103) = ( 0.0147059 0.5000000 0.5000000), wk = 0.0026810 k( 104) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0026810 k( 105) = ( 0.0441177 0.5000000 0.5000000), wk = 0.0026810 k( 106) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0026810 k( 107) = ( 0.0735294 0.5000000 0.5000000), wk = 0.0026810 k( 108) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0026810 k( 109) = ( 0.1029412 0.5000000 0.5000000), wk = 0.0026810 k( 110) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0026810 k( 111) = ( 0.1323529 0.5000000 0.5000000), wk = 0.0026810 k( 112) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0026810 k( 113) = ( 0.1617647 0.5000000 0.5000000), wk = 0.0026810 k( 114) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0026810 k( 115) = ( 0.1911765 0.5000000 0.5000000), wk = 0.0026810 k( 116) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0026810 k( 117) = ( 0.2205882 0.5000000 0.5000000), wk = 0.0026810 k( 118) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0026810 k( 119) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026810 k( 120) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0026810 k( 121) = ( 0.2794118 0.5000000 0.5000000), wk = 0.0026810 k( 122) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0026810 k( 123) = ( 0.3088235 0.5000000 0.5000000), wk = 0.0026810 k( 124) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0026810 k( 125) = ( 0.3382353 0.5000000 0.5000000), wk = 0.0026810 k( 126) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0026810 k( 127) = ( 0.3676471 0.5000000 0.5000000), wk = 0.0026810 k( 128) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0026810 k( 129) = ( 0.3970588 0.5000000 0.5000000), wk = 0.0026810 k( 130) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0026810 k( 131) = ( 0.4264706 0.5000000 0.5000000), wk = 0.0026810 k( 132) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0026810 k( 133) = ( 0.4558823 0.5000000 0.5000000), wk = 0.0026810 k( 134) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0026810 k( 135) = ( 0.4852941 0.5000000 0.5000000), wk = 0.0026810 k( 136) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026810 k( 138) = ( 0.5000000 0.5044255 0.4899775), wk = 0.0026810 k( 139) = ( 0.5000000 0.5088510 0.4799551), wk = 0.0026810 k( 140) = ( 0.5000000 0.5132765 0.4699326), wk = 0.0026810 k( 141) = ( 0.5000000 0.5177020 0.4599102), wk = 0.0026810 k( 142) = ( 0.5000000 0.5221275 0.4498877), wk = 0.0026810 k( 143) = ( 0.5000000 0.5265530 0.4398653), wk = 0.0026810 k( 144) = ( 0.5000000 0.5309785 0.4298428), wk = 0.0026810 k( 145) = ( 0.5000000 0.5354040 0.4198204), wk = 0.0026810 k( 146) = ( 0.5000000 0.5354040 0.4198204), wk = 0.0026810 k( 147) = ( 0.5000000 0.5342976 0.4067010), wk = 0.0026810 k( 148) = ( 0.5000000 0.5331913 0.3935816), wk = 0.0026810 k( 149) = ( 0.5000000 0.5320849 0.3804622), wk = 0.0026810 k( 150) = ( 0.5000000 0.5309785 0.3673428), wk = 0.0026810 k( 151) = ( 0.5000000 0.5298721 0.3542234), wk = 0.0026810 k( 152) = ( 0.5000000 0.5287658 0.3411040), wk = 0.0026810 k( 153) = ( 0.5000000 0.5276594 0.3279847), wk = 0.0026810 k( 154) = ( 0.5000000 0.5265530 0.3148653), wk = 0.0026810 k( 155) = ( 0.5000000 0.5254466 0.3017459), wk = 0.0026810 k( 156) = ( 0.5000000 0.5243403 0.2886265), wk = 0.0026810 k( 157) = ( 0.5000000 0.5232339 0.2755071), wk = 0.0026810 k( 158) = ( 0.5000000 0.5221275 0.2623877), wk = 0.0026810 k( 159) = ( 0.5000000 0.5210211 0.2492683), wk = 0.0026810 k( 160) = ( 0.5000000 0.5199148 0.2361490), wk = 0.0026810 k( 161) = ( 0.5000000 0.5188084 0.2230296), wk = 0.0026810 k( 162) = ( 0.5000000 0.5177020 0.2099102), wk = 0.0026810 k( 163) = ( 0.5000000 0.5165956 0.1967908), wk = 0.0026810 k( 164) = ( 0.5000000 0.5154893 0.1836714), wk = 0.0026810 k( 165) = ( 0.5000000 0.5143829 0.1705520), wk = 0.0026810 k( 166) = ( 0.5000000 0.5132765 0.1574326), wk = 0.0026810 k( 167) = ( 0.5000000 0.5121701 0.1443133), wk = 0.0026810 k( 168) = ( 0.5000000 0.5110638 0.1311939), wk = 0.0026810 k( 169) = ( 0.5000000 0.5099574 0.1180745), wk = 0.0026810 k( 170) = ( 0.5000000 0.5088510 0.1049551), wk = 0.0026810 k( 171) = ( 0.5000000 0.5077446 0.0918357), wk = 0.0026810 k( 172) = ( 0.5000000 0.5066382 0.0787163), wk = 0.0026810 k( 173) = ( 0.5000000 0.5055319 0.0655969), wk = 0.0026810 k( 174) = ( 0.5000000 0.5044255 0.0524775), wk = 0.0026810 k( 175) = ( 0.5000000 0.5033191 0.0393582), wk = 0.0026810 k( 176) = ( 0.5000000 0.5022127 0.0262388), wk = 0.0026810 k( 177) = ( 0.5000000 0.5011064 0.0131194), wk = 0.0026810 k( 178) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026810 k( 179) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026810 k( 180) = ( 0.4852941 0.5000000 0.0000000), wk = 0.0026810 k( 181) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0026810 k( 182) = ( 0.4558823 0.5000000 0.0000000), wk = 0.0026810 k( 183) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0026810 k( 184) = ( 0.4264706 0.5000000 0.0000000), wk = 0.0026810 k( 185) = ( 0.4117647 0.5000000 0.0000000), wk = 0.0026810 k( 186) = ( 0.3970588 0.5000000 0.0000000), wk = 0.0026810 k( 187) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0026810 k( 188) = ( 0.3676471 0.5000000 0.0000000), wk = 0.0026810 k( 189) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0026810 k( 190) = ( 0.3382353 0.5000000 0.0000000), wk = 0.0026810 k( 191) = ( 0.3235294 0.5000000 0.0000000), wk = 0.0026810 k( 192) = ( 0.3088235 0.5000000 0.0000000), wk = 0.0026810 k( 193) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0026810 k( 194) = ( 0.2794118 0.5000000 0.0000000), wk = 0.0026810 k( 195) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0026810 k( 196) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0026810 k( 197) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0026810 k( 198) = ( 0.2205882 0.5000000 0.0000000), wk = 0.0026810 k( 199) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0026810 k( 200) = ( 0.1911765 0.5000000 0.0000000), wk = 0.0026810 k( 201) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0026810 k( 202) = ( 0.1617647 0.5000000 0.0000000), wk = 0.0026810 k( 203) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0026810 k( 204) = ( 0.1323529 0.5000000 0.0000000), wk = 0.0026810 k( 205) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0026810 k( 206) = ( 0.1029412 0.5000000 0.0000000), wk = 0.0026810 k( 207) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0026810 k( 208) = ( 0.0735294 0.5000000 0.0000000), wk = 0.0026810 k( 209) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0026810 k( 210) = ( 0.0441177 0.5000000 0.0000000), wk = 0.0026810 k( 211) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0026810 k( 212) = ( 0.0147059 0.5000000 0.0000000), wk = 0.0026810 k( 213) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026810 k( 214) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026810 k( 215) = ( 0.0000000 0.5011064 0.0131194), wk = 0.0026810 k( 216) = ( 0.0000000 0.5022127 0.0262388), wk = 0.0026810 k( 217) = ( 0.0000000 0.5033191 0.0393582), wk = 0.0026810 k( 218) = ( 0.0000000 0.5044255 0.0524775), wk = 0.0026810 k( 219) = ( 0.0000000 0.5055319 0.0655969), wk = 0.0026810 k( 220) = ( 0.0000000 0.5066382 0.0787163), wk = 0.0026810 k( 221) = ( 0.0000000 0.5077446 0.0918357), wk = 0.0026810 k( 222) = ( 0.0000000 0.5088510 0.1049551), wk = 0.0026810 k( 223) = ( 0.0000000 0.5099574 0.1180745), wk = 0.0026810 k( 224) = ( 0.0000000 0.5110638 0.1311939), wk = 0.0026810 k( 225) = ( 0.0000000 0.5121701 0.1443133), wk = 0.0026810 k( 226) = ( 0.0000000 0.5132765 0.1574326), wk = 0.0026810 k( 227) = ( 0.0000000 0.5143829 0.1705520), wk = 0.0026810 k( 228) = ( 0.0000000 0.5154893 0.1836714), wk = 0.0026810 k( 229) = ( 0.0000000 0.5165956 0.1967908), wk = 0.0026810 k( 230) = ( 0.0000000 0.5177020 0.2099102), wk = 0.0026810 k( 231) = ( 0.0000000 0.5188084 0.2230296), wk = 0.0026810 k( 232) = ( 0.0000000 0.5199148 0.2361490), wk = 0.0026810 k( 233) = ( 0.0000000 0.5210211 0.2492683), wk = 0.0026810 k( 234) = ( 0.0000000 0.5221275 0.2623877), wk = 0.0026810 k( 235) = ( 0.0000000 0.5232339 0.2755071), wk = 0.0026810 k( 236) = ( 0.0000000 0.5243403 0.2886265), wk = 0.0026810 k( 237) = ( 0.0000000 0.5254466 0.3017459), wk = 0.0026810 k( 238) = ( 0.0000000 0.5265530 0.3148653), wk = 0.0026810 k( 239) = ( 0.0000000 0.5276594 0.3279847), wk = 0.0026810 k( 240) = ( 0.0000000 0.5287658 0.3411040), wk = 0.0026810 k( 241) = ( 0.0000000 0.5298721 0.3542234), wk = 0.0026810 k( 242) = ( 0.0000000 0.5309785 0.3673428), wk = 0.0026810 k( 243) = ( 0.0000000 0.5320849 0.3804622), wk = 0.0026810 k( 244) = ( 0.0000000 0.5331913 0.3935816), wk = 0.0026810 k( 245) = ( 0.0000000 0.5342976 0.4067010), wk = 0.0026810 k( 246) = ( 0.0000000 0.5354040 0.4198204), wk = 0.0026810 k( 247) = ( 0.5000000 0.4645960 0.5801796), wk = 0.0026810 k( 248) = ( 0.5000000 0.4554863 0.5786075), wk = 0.0026810 k( 249) = ( 0.5000000 0.4463765 0.5770353), wk = 0.0026810 k( 250) = ( 0.5000000 0.4372668 0.5754632), wk = 0.0026810 k( 251) = ( 0.5000000 0.4281571 0.5738910), wk = 0.0026810 k( 252) = ( 0.5000000 0.4190474 0.5723189), wk = 0.0026810 k( 253) = ( 0.5000000 0.4099376 0.5707467), wk = 0.0026810 k( 254) = ( 0.5000000 0.4008279 0.5691746), wk = 0.0026810 k( 255) = ( 0.5000000 0.3917182 0.5676024), wk = 0.0026810 k( 256) = ( 0.5000000 0.3826085 0.5660303), wk = 0.0026810 k( 257) = ( 0.5000000 0.3734987 0.5644581), wk = 0.0026810 k( 258) = ( 0.5000000 0.3643890 0.5628860), wk = 0.0026810 k( 259) = ( 0.5000000 0.3552793 0.5613138), wk = 0.0026810 k( 260) = ( 0.5000000 0.3461695 0.5597417), wk = 0.0026810 k( 261) = ( 0.5000000 0.3370598 0.5581695), wk = 0.0026810 k( 262) = ( 0.5000000 0.3279501 0.5565974), wk = 0.0026810 k( 263) = ( 0.5000000 0.3188404 0.5550252), wk = 0.0026810 k( 264) = ( 0.5000000 0.3097306 0.5534531), wk = 0.0026810 k( 265) = ( 0.5000000 0.3006209 0.5518809), wk = 0.0026810 k( 266) = ( 0.5000000 0.2915112 0.5503088), wk = 0.0026810 k( 267) = ( 0.5000000 0.2824015 0.5487366), wk = 0.0026810 k( 268) = ( 0.5000000 0.2732917 0.5471645), wk = 0.0026810 k( 269) = ( 0.5000000 0.2641820 0.5455923), wk = 0.0026810 k( 270) = ( 0.5000000 0.2550723 0.5440202), wk = 0.0026810 k( 271) = ( 0.5000000 0.2459626 0.5424480), wk = 0.0026810 k( 272) = ( 0.5000000 0.2368528 0.5408759), wk = 0.0026810 k( 273) = ( 0.5000000 0.2277431 0.5393037), wk = 0.0026810 k( 274) = ( 0.5000000 0.2186334 0.5377316), wk = 0.0026810 k( 275) = ( 0.5000000 0.2095237 0.5361594), wk = 0.0026810 k( 276) = ( 0.5000000 0.2004139 0.5345873), wk = 0.0026810 k( 277) = ( 0.5000000 0.1913042 0.5330151), wk = 0.0026810 k( 278) = ( 0.5000000 0.1821945 0.5314430), wk = 0.0026810 k( 279) = ( 0.5000000 0.1730848 0.5298708), wk = 0.0026810 k( 280) = ( 0.5000000 0.1639750 0.5282987), wk = 0.0026810 k( 281) = ( 0.5000000 0.1548653 0.5267265), wk = 0.0026810 k( 282) = ( 0.5000000 0.1457556 0.5251544), wk = 0.0026810 k( 283) = ( 0.5000000 0.1366459 0.5235822), wk = 0.0026810 k( 284) = ( 0.5000000 0.1275361 0.5220101), wk = 0.0026810 k( 285) = ( 0.5000000 0.1184264 0.5204379), wk = 0.0026810 k( 286) = ( 0.5000000 0.1093167 0.5188658), wk = 0.0026810 k( 287) = ( 0.5000000 0.1002070 0.5172937), wk = 0.0026810 k( 288) = ( 0.5000000 0.0910972 0.5157215), wk = 0.0026810 k( 289) = ( 0.5000000 0.0819875 0.5141493), wk = 0.0026810 k( 290) = ( 0.5000000 0.0728778 0.5125772), wk = 0.0026810 k( 291) = ( 0.5000000 0.0637681 0.5110050), wk = 0.0026810 k( 292) = ( 0.5000000 0.0546583 0.5094329), wk = 0.0026810 k( 293) = ( 0.5000000 0.0455486 0.5078607), wk = 0.0026810 k( 294) = ( 0.5000000 0.0364389 0.5062886), wk = 0.0026810 k( 295) = ( 0.5000000 0.0273292 0.5047164), wk = 0.0026810 k( 296) = ( 0.5000000 0.0182195 0.5031443), wk = 0.0026810 k( 297) = ( 0.5000000 0.0091097 0.5015721), wk = 0.0026810 k( 298) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 k( 299) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 k( 300) = ( 0.5000000 0.0000000 0.4871795), wk = 0.0026810 k( 301) = ( 0.5000000 0.0000000 0.4743590), wk = 0.0026810 k( 302) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0026810 k( 303) = ( 0.5000000 0.0000000 0.4487179), wk = 0.0026810 k( 304) = ( 0.5000000 0.0000000 0.4358974), wk = 0.0026810 k( 305) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0026810 k( 306) = ( 0.5000000 0.0000000 0.4102564), wk = 0.0026810 k( 307) = ( 0.5000000 0.0000000 0.3974359), wk = 0.0026810 k( 308) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0026810 k( 309) = ( 0.5000000 0.0000000 0.3717949), wk = 0.0026810 k( 310) = ( 0.5000000 0.0000000 0.3589744), wk = 0.0026810 k( 311) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0026810 k( 312) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0026810 k( 313) = ( 0.5000000 0.0000000 0.3205128), wk = 0.0026810 k( 314) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0026810 k( 315) = ( 0.5000000 0.0000000 0.2948718), wk = 0.0026810 k( 316) = ( 0.5000000 0.0000000 0.2820513), wk = 0.0026810 k( 317) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0026810 k( 318) = ( 0.5000000 0.0000000 0.2564103), wk = 0.0026810 k( 319) = ( 0.5000000 0.0000000 0.2435897), wk = 0.0026810 k( 320) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0026810 k( 321) = ( 0.5000000 0.0000000 0.2179487), wk = 0.0026810 k( 322) = ( 0.5000000 0.0000000 0.2051282), wk = 0.0026810 k( 323) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0026810 k( 324) = ( 0.5000000 0.0000000 0.1794872), wk = 0.0026810 k( 325) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0026810 k( 326) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0026810 k( 327) = ( 0.5000000 0.0000000 0.1410256), wk = 0.0026810 k( 328) = ( 0.5000000 0.0000000 0.1282051), wk = 0.0026810 k( 329) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0026810 k( 330) = ( 0.5000000 0.0000000 0.1025641), wk = 0.0026810 k( 331) = ( 0.5000000 0.0000000 0.0897436), wk = 0.0026810 k( 332) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0026810 k( 333) = ( 0.5000000 0.0000000 0.0641026), wk = 0.0026810 k( 334) = ( 0.5000000 0.0000000 0.0512821), wk = 0.0026810 k( 335) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0026810 k( 336) = ( 0.5000000 0.0000000 0.0256410), wk = 0.0026810 k( 337) = ( 0.5000000 0.0000000 0.0128205), wk = 0.0026810 k( 338) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0026810 k( 339) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026810 k( 340) = ( 0.0147059 0.0000000 0.5000000), wk = 0.0026810 k( 341) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0026810 k( 342) = ( 0.0441177 -0.0000000 0.5000000), wk = 0.0026810 k( 343) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0026810 k( 344) = ( 0.0735294 0.0000000 0.5000000), wk = 0.0026810 k( 345) = ( 0.0882353 -0.0000000 0.5000000), wk = 0.0026810 k( 346) = ( 0.1029412 0.0000000 0.5000000), wk = 0.0026810 k( 347) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0026810 k( 348) = ( 0.1323529 -0.0000000 0.5000000), wk = 0.0026810 k( 349) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0026810 k( 350) = ( 0.1617647 0.0000000 0.5000000), wk = 0.0026810 k( 351) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0026810 k( 352) = ( 0.1911765 0.0000000 0.5000000), wk = 0.0026810 k( 353) = ( 0.2058823 -0.0000000 0.5000000), wk = 0.0026810 k( 354) = ( 0.2205882 0.0000000 0.5000000), wk = 0.0026810 k( 355) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0026810 k( 356) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0026810 k( 357) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0026810 k( 358) = ( 0.2794118 -0.0000000 0.5000000), wk = 0.0026810 k( 359) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0026810 k( 360) = ( 0.3088235 -0.0000000 0.5000000), wk = 0.0026810 k( 361) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0026810 k( 362) = ( 0.3382353 0.0000000 0.5000000), wk = 0.0026810 k( 363) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0026810 k( 364) = ( 0.3676471 -0.0000000 0.5000000), wk = 0.0026810 k( 365) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0026810 k( 366) = ( 0.3970588 0.0000000 0.5000000), wk = 0.0026810 k( 367) = ( 0.4117647 0.0000000 0.5000000), wk = 0.0026810 k( 368) = ( 0.4264706 -0.0000000 0.5000000), wk = 0.0026810 k( 369) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0026810 k( 370) = ( 0.4558823 -0.0000000 0.5000000), wk = 0.0026810 k( 371) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0026810 k( 372) = ( 0.4852941 -0.0000000 0.5000000), wk = 0.0026810 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0026810 Dense grid: 35833 G-vectors FFT dimensions: ( 50, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 260, 52) NL pseudopotentials 0.27 Mb ( 130, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 996) G-vector shells 0.01 Mb ( 958) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.83 Mb ( 260, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiNi.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 16 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.7 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 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 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.8 secs Computing kpt #: 9 total cpu time spent up to now is 8.6 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.1 secs Computing kpt #: 16 total cpu time spent up to now is 13.9 secs Computing kpt #: 17 total cpu time spent up to now is 14.7 secs Computing kpt #: 18 total cpu time spent up to now is 15.5 secs Computing kpt #: 19 total cpu time spent up to now is 16.3 secs Computing kpt #: 20 total cpu time spent up to now is 17.1 secs Computing kpt #: 21 total cpu time spent up to now is 17.9 secs Computing kpt #: 22 total cpu time spent up to now is 18.7 secs Computing kpt #: 23 total cpu time spent up to now is 19.5 secs Computing kpt #: 24 total cpu time spent up to now is 20.3 secs Computing kpt #: 25 total cpu time spent up to now is 21.1 secs Computing kpt #: 26 total cpu time spent up to now is 21.9 secs Computing kpt #: 27 total cpu time spent up to now is 22.7 secs Computing kpt #: 28 total cpu time spent up to now is 23.5 secs Computing kpt #: 29 total cpu time spent up to now is 24.3 secs Computing kpt #: 30 total cpu time spent up to now is 25.1 secs Computing kpt #: 31 total cpu time spent up to now is 25.9 secs Computing kpt #: 32 total cpu time spent up to now is 26.6 secs Computing kpt #: 33 total cpu time spent up to now is 27.4 secs Computing kpt #: 34 total cpu time spent up to now is 28.2 secs Computing kpt #: 35 total cpu time spent up to now is 29.0 secs Computing kpt #: 36 total cpu time spent up to now is 29.8 secs Computing kpt #: 37 total cpu time spent up to now is 30.6 secs Computing kpt #: 38 total cpu time spent up to now is 31.3 secs Computing kpt #: 39 total cpu time spent up to now is 32.1 secs Computing kpt #: 40 total cpu time spent up to now is 32.9 secs Computing kpt #: 41 total cpu time spent up to now is 33.6 secs Computing kpt #: 42 total cpu time spent up to now is 34.4 secs Computing kpt #: 43 total cpu time spent up to now is 35.2 secs Computing kpt #: 44 total cpu time spent up to now is 36.0 secs Computing kpt #: 45 total cpu time spent up to now is 36.8 secs Computing kpt #: 46 total cpu time spent up to now is 37.6 secs Computing kpt #: 47 total cpu time spent up to now is 38.4 secs Computing kpt #: 48 total cpu time spent up to now is 39.1 secs Computing kpt #: 49 total cpu time spent up to now is 39.9 secs Computing kpt #: 50 total cpu time spent up to now is 40.6 secs Computing kpt #: 51 total cpu time spent up to now is 41.3 secs Computing kpt #: 52 total cpu time spent up to now is 41.9 secs Computing kpt #: 53 total cpu time spent up to now is 42.6 secs Computing kpt #: 54 total cpu time spent up to now is 43.3 secs Computing kpt #: 55 total cpu time spent up to now is 44.0 secs Computing kpt #: 56 total cpu time spent up to now is 44.7 secs Computing kpt #: 57 total cpu time spent up to now is 45.4 secs Computing kpt #: 58 total cpu time spent up to now is 46.1 secs Computing kpt #: 59 total cpu time spent up to now is 46.8 secs Computing kpt #: 60 total cpu time spent up to now is 47.6 secs Computing kpt #: 61 total cpu time spent up to now is 48.4 secs Computing kpt #: 62 total cpu time spent up to now is 49.2 secs Computing kpt #: 63 total cpu time spent up to now is 50.0 secs Computing kpt #: 64 total cpu time spent up to now is 50.8 secs Computing kpt #: 65 total cpu time spent up to now is 51.7 secs Computing kpt #: 66 total cpu time spent up to now is 52.5 secs Computing kpt #: 67 total cpu time spent up to now is 53.3 secs Computing kpt #: 68 total cpu time spent up to now is 54.2 secs Computing kpt #: 69 total cpu time spent up to now is 55.0 secs Computing kpt #: 70 total cpu time spent up to now is 55.9 secs Computing kpt #: 71 total cpu time spent up to now is 56.7 secs Computing kpt #: 72 total cpu time spent up to now is 57.6 secs Computing kpt #: 73 total cpu time spent up to now is 58.5 secs Computing kpt #: 74 total cpu time spent up to now is 59.3 secs Computing kpt #: 75 total cpu time spent up to now is 60.1 secs Computing kpt #: 76 total cpu time spent up to now is 61.0 secs Computing kpt #: 77 total cpu time spent up to now is 61.8 secs Computing kpt #: 78 total cpu time spent up to now is 62.7 secs Computing kpt #: 79 total cpu time spent up to now is 63.5 secs Computing kpt #: 80 total cpu time spent up to now is 64.3 secs Computing kpt #: 81 total cpu time spent up to now is 65.2 secs Computing kpt #: 82 total cpu time spent up to now is 66.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.1 secs Computing kpt #: 84 total cpu time spent up to now is 68.2 secs Computing kpt #: 85 total cpu time spent up to now is 69.1 secs Computing kpt #: 86 total cpu time spent up to now is 70.1 secs Computing kpt #: 87 total cpu time spent up to now is 71.0 secs Computing kpt #: 88 total cpu time spent up to now is 71.9 secs Computing kpt #: 89 total cpu time spent up to now is 72.8 secs Computing kpt #: 90 total cpu time spent up to now is 73.6 secs Computing kpt #: 91 total cpu time spent up to now is 74.5 secs Computing kpt #: 92 total cpu time spent up to now is 75.3 secs Computing kpt #: 93 total cpu time spent up to now is 76.2 secs Computing kpt #: 94 total cpu time spent up to now is 77.0 secs Computing kpt #: 95 total cpu time spent up to now is 77.8 secs Computing kpt #: 96 total cpu time spent up to now is 78.6 secs Computing kpt #: 97 total cpu time spent up to now is 79.4 secs Computing kpt #: 98 total cpu time spent up to now is 80.1 secs Computing kpt #: 99 total cpu time spent up to now is 80.9 secs Computing kpt #: 100 total cpu time spent up to now is 81.7 secs Computing kpt #: 101 total cpu time spent up to now is 82.5 secs Computing kpt #: 102 total cpu time spent up to now is 83.3 secs Computing kpt #: 103 total cpu time spent up to now is 84.0 secs Computing kpt #: 104 total cpu time spent up to now is 84.8 secs Computing kpt #: 105 total cpu time spent up to now is 85.5 secs Computing kpt #: 106 total cpu time spent up to now is 86.3 secs Computing kpt #: 107 total cpu time spent up to now is 87.0 secs Computing kpt #: 108 total cpu time spent up to now is 87.8 secs Computing kpt #: 109 total cpu time spent up to now is 88.5 secs Computing kpt #: 110 total cpu time spent up to now is 89.3 secs Computing kpt #: 111 total cpu time spent up to now is 90.0 secs Computing kpt #: 112 total cpu time spent up to now is 90.8 secs Computing kpt #: 113 total cpu time spent up to now is 91.5 secs Computing kpt #: 114 total cpu time spent up to now is 92.3 secs Computing kpt #: 115 total cpu time spent up to now is 93.0 secs Computing kpt #: 116 total cpu time spent up to now is 93.8 secs Computing kpt #: 117 total cpu time spent up to now is 94.5 secs Computing kpt #: 118 total cpu time spent up to now is 95.2 secs Computing kpt #: 119 total cpu time spent up to now is 95.9 secs Computing kpt #: 120 total cpu time spent up to now is 96.7 secs Computing kpt #: 121 total cpu time spent up to now is 97.4 secs Computing kpt #: 122 total cpu time spent up to now is 98.1 secs Computing kpt #: 123 total cpu time spent up to now is 98.8 secs Computing kpt #: 124 total cpu time spent up to now is 99.4 secs Computing kpt #: 125 total cpu time spent up to now is 100.1 secs Computing kpt #: 126 total cpu time spent up to now is 100.8 secs Computing kpt #: 127 total cpu time spent up to now is 101.5 secs Computing kpt #: 128 total cpu time spent up to now is 102.2 secs Computing kpt #: 129 total cpu time spent up to now is 102.9 secs Computing kpt #: 130 total cpu time spent up to now is 103.5 secs Computing kpt #: 131 total cpu time spent up to now is 104.3 secs Computing kpt #: 132 total cpu time spent up to now is 105.0 secs Computing kpt #: 133 total cpu time spent up to now is 105.7 secs Computing kpt #: 134 total cpu time spent up to now is 106.4 secs Computing kpt #: 135 total cpu time spent up to now is 107.1 secs Computing kpt #: 136 total cpu time spent up to now is 107.8 secs Computing kpt #: 137 total cpu time spent up to now is 108.6 secs Computing kpt #: 138 total cpu time spent up to now is 109.3 secs Computing kpt #: 139 total cpu time spent up to now is 110.0 secs Computing kpt #: 140 total cpu time spent up to now is 110.7 secs Computing kpt #: 141 total cpu time spent up to now is 111.5 secs Computing kpt #: 142 total cpu time spent up to now is 112.2 secs Computing kpt #: 143 total cpu time spent up to now is 112.9 secs Computing kpt #: 144 total cpu time spent up to now is 113.6 secs Computing kpt #: 145 total cpu time spent up to now is 114.3 secs Computing kpt #: 146 total cpu time spent up to now is 115.0 secs Computing kpt #: 147 total cpu time spent up to now is 115.6 secs Computing kpt #: 148 total cpu time spent up to now is 116.3 secs Computing kpt #: 149 total cpu time spent up to now is 117.0 secs Computing kpt #: 150 total cpu time spent up to now is 117.6 secs Computing kpt #: 151 total cpu time spent up to now is 118.3 secs Computing kpt #: 152 total cpu time spent up to now is 118.9 secs Computing kpt #: 153 total cpu time spent up to now is 119.6 secs Computing kpt #: 154 total cpu time spent up to now is 120.2 secs Computing kpt #: 155 total cpu time spent up to now is 120.8 secs Computing kpt #: 156 total cpu time spent up to now is 121.5 secs Computing kpt #: 157 total cpu time spent up to now is 122.2 secs Computing kpt #: 158 total cpu time spent up to now is 122.8 secs Computing kpt #: 159 total cpu time spent up to now is 123.5 secs Computing kpt #: 160 total cpu time spent up to now is 124.2 secs Computing kpt #: 161 total cpu time spent up to now is 125.0 secs Computing kpt #: 162 total cpu time spent up to now is 125.7 secs Computing kpt #: 163 total cpu time spent up to now is 126.4 secs Computing kpt #: 164 total cpu time spent up to now is 127.2 secs Computing kpt #: 165 total cpu time spent up to now is 127.9 secs Computing kpt #: 166 total cpu time spent up to now is 128.7 secs Computing kpt #: 167 total cpu time spent up to now is 129.5 secs Computing kpt #: 168 total cpu time spent up to now is 130.3 secs Computing kpt #: 169 total cpu time spent up to now is 131.1 secs Computing kpt #: 170 total cpu time spent up to now is 131.9 secs Computing kpt #: 171 total cpu time spent up to now is 132.6 secs Computing kpt #: 172 total cpu time spent up to now is 133.4 secs Computing kpt #: 173 total cpu time spent up to now is 134.2 secs Computing kpt #: 174 total cpu time spent up to now is 135.0 secs Computing kpt #: 175 total cpu time spent up to now is 135.8 secs Computing kpt #: 176 total cpu time spent up to now is 136.6 secs Computing kpt #: 177 total cpu time spent up to now is 137.4 secs Computing kpt #: 178 total cpu time spent up to now is 138.2 secs Computing kpt #: 179 total cpu time spent up to now is 139.0 secs Computing kpt #: 180 total cpu time spent up to now is 139.8 secs Computing kpt #: 181 total cpu time spent up to now is 140.6 secs Computing kpt #: 182 total cpu time spent up to now is 141.4 secs Computing kpt #: 183 total cpu time spent up to now is 142.2 secs Computing kpt #: 184 total cpu time spent up to now is 143.0 secs Computing kpt #: 185 total cpu time spent up to now is 143.8 secs Computing kpt #: 186 total cpu time spent up to now is 144.6 secs Computing kpt #: 187 total cpu time spent up to now is 145.5 secs Computing kpt #: 188 total cpu time spent up to now is 146.4 secs Computing kpt #: 189 total cpu time spent up to now is 147.2 secs Computing kpt #: 190 total cpu time spent up to now is 148.0 secs Computing kpt #: 191 total cpu time spent up to now is 148.9 secs Computing kpt #: 192 total cpu time spent up to now is 149.7 secs Computing kpt #: 193 total cpu time spent up to now is 150.6 secs Computing kpt #: 194 total cpu time spent up to now is 151.4 secs Computing kpt #: 195 total cpu time spent up to now is 152.2 secs Computing kpt #: 196 total cpu time spent up to now is 153.1 secs Computing kpt #: 197 total cpu time spent up to now is 153.9 secs Computing kpt #: 198 total cpu time spent up to now is 155.0 secs Computing kpt #: 199 total cpu time spent up to now is 155.9 secs Computing kpt #: 200 total cpu time spent up to now is 156.9 secs Computing kpt #: 201 total cpu time spent up to now is 157.7 secs Computing kpt #: 202 total cpu time spent up to now is 158.5 secs Computing kpt #: 203 total cpu time spent up to now is 159.2 secs Computing kpt #: 204 total cpu time spent up to now is 159.9 secs Computing kpt #: 205 total cpu time spent up to now is 160.5 secs Computing kpt #: 206 total cpu time spent up to now is 161.1 secs Computing kpt #: 207 total cpu time spent up to now is 161.8 secs Computing kpt #: 208 total cpu time spent up to now is 162.4 secs Computing kpt #: 209 total cpu time spent up to now is 163.0 secs Computing kpt #: 210 total cpu time spent up to now is 163.6 secs Computing kpt #: 211 total cpu time spent up to now is 164.2 secs Computing kpt #: 212 total cpu time spent up to now is 164.8 secs Computing kpt #: 213 total cpu time spent up to now is 165.4 secs Computing kpt #: 214 total cpu time spent up to now is 166.0 secs Computing kpt #: 215 total cpu time spent up to now is 166.6 secs Computing kpt #: 216 total cpu time spent up to now is 167.2 secs Computing kpt #: 217 total cpu time spent up to now is 167.8 secs Computing kpt #: 218 total cpu time spent up to now is 168.5 secs Computing kpt #: 219 total cpu time spent up to now is 169.1 secs Computing kpt #: 220 total cpu time spent up to now is 169.7 secs Computing kpt #: 221 total cpu time spent up to now is 170.3 secs Computing kpt #: 222 total cpu time spent up to now is 170.9 secs Computing kpt #: 223 total cpu time spent up to now is 171.6 secs Computing kpt #: 224 total cpu time spent up to now is 172.2 secs Computing kpt #: 225 total cpu time spent up to now is 172.9 secs Computing kpt #: 226 total cpu time spent up to now is 173.6 secs Computing kpt #: 227 total cpu time spent up to now is 174.3 secs Computing kpt #: 228 total cpu time spent up to now is 174.9 secs Computing kpt #: 229 total cpu time spent up to now is 175.7 secs Computing kpt #: 230 total cpu time spent up to now is 176.4 secs Computing kpt #: 231 total cpu time spent up to now is 177.2 secs Computing kpt #: 232 total cpu time spent up to now is 178.0 secs Computing kpt #: 233 total cpu time spent up to now is 178.7 secs Computing kpt #: 234 total cpu time spent up to now is 179.5 secs Computing kpt #: 235 total cpu time spent up to now is 180.2 secs Computing kpt #: 236 total cpu time spent up to now is 181.0 secs Computing kpt #: 237 total cpu time spent up to now is 181.8 secs Computing kpt #: 238 total cpu time spent up to now is 182.6 secs Computing kpt #: 239 total cpu time spent up to now is 183.4 secs Computing kpt #: 240 total cpu time spent up to now is 184.2 secs Computing kpt #: 241 total cpu time spent up to now is 185.1 secs Computing kpt #: 242 total cpu time spent up to now is 186.0 secs Computing kpt #: 243 total cpu time spent up to now is 186.9 secs Computing kpt #: 244 total cpu time spent up to now is 187.7 secs Computing kpt #: 245 total cpu time spent up to now is 188.6 secs Computing kpt #: 246 total cpu time spent up to now is 189.4 secs Computing kpt #: 247 total cpu time spent up to now is 190.1 secs Computing kpt #: 248 total cpu time spent up to now is 190.7 secs Computing kpt #: 249 total cpu time spent up to now is 191.4 secs Computing kpt #: 250 total cpu time spent up to now is 192.1 secs Computing kpt #: 251 total cpu time spent up to now is 192.8 secs Computing kpt #: 252 total cpu time spent up to now is 193.5 secs Computing kpt #: 253 total cpu time spent up to now is 194.2 secs Computing kpt #: 254 total cpu time spent up to now is 194.9 secs Computing kpt #: 255 total cpu time spent up to now is 195.6 secs Computing kpt #: 256 total cpu time spent up to now is 196.3 secs Computing kpt #: 257 total cpu time spent up to now is 197.0 secs Computing kpt #: 258 total cpu time spent up to now is 197.7 secs Computing kpt #: 259 total cpu time spent up to now is 198.5 secs Computing kpt #: 260 total cpu time spent up to now is 199.2 secs Computing kpt #: 261 total cpu time spent up to now is 199.9 secs Computing kpt #: 262 total cpu time spent up to now is 200.7 secs Computing kpt #: 263 total cpu time spent up to now is 201.4 secs Computing kpt #: 264 total cpu time spent up to now is 202.2 secs Computing kpt #: 265 total cpu time spent up to now is 202.9 secs Computing kpt #: 266 total cpu time spent up to now is 203.7 secs Computing kpt #: 267 total cpu time spent up to now is 204.5 secs Computing kpt #: 268 total cpu time spent up to now is 205.3 secs Computing kpt #: 269 total cpu time spent up to now is 206.1 secs Computing kpt #: 270 total cpu time spent up to now is 206.9 secs Computing kpt #: 271 total cpu time spent up to now is 207.7 secs Computing kpt #: 272 total cpu time spent up to now is 208.5 secs Computing kpt #: 273 total cpu time spent up to now is 209.3 secs Computing kpt #: 274 total cpu time spent up to now is 210.1 secs Computing kpt #: 275 total cpu time spent up to now is 210.9 secs Computing kpt #: 276 total cpu time spent up to now is 211.7 secs Computing kpt #: 277 total cpu time spent up to now is 212.5 secs Computing kpt #: 278 total cpu time spent up to now is 213.3 secs Computing kpt #: 279 total cpu time spent up to now is 214.2 secs Computing kpt #: 280 total cpu time spent up to now is 215.0 secs Computing kpt #: 281 total cpu time spent up to now is 215.7 secs Computing kpt #: 282 total cpu time spent up to now is 216.5 secs Computing kpt #: 283 total cpu time spent up to now is 217.2 secs Computing kpt #: 284 total cpu time spent up to now is 218.0 secs Computing kpt #: 285 total cpu time spent up to now is 218.7 secs Computing kpt #: 286 total cpu time spent up to now is 219.4 secs Computing kpt #: 287 total cpu time spent up to now is 220.1 secs Computing kpt #: 288 total cpu time spent up to now is 220.8 secs Computing kpt #: 289 total cpu time spent up to now is 221.6 secs Computing kpt #: 290 total cpu time spent up to now is 222.3 secs Computing kpt #: 291 total cpu time spent up to now is 223.0 secs Computing kpt #: 292 total cpu time spent up to now is 223.7 secs Computing kpt #: 293 total cpu time spent up to now is 224.4 secs Computing kpt #: 294 total cpu time spent up to now is 225.1 secs Computing kpt #: 295 total cpu time spent up to now is 225.9 secs Computing kpt #: 296 total cpu time spent up to now is 226.7 secs Computing kpt #: 297 total cpu time spent up to now is 227.5 secs Computing kpt #: 298 total cpu time spent up to now is 228.3 secs Computing kpt #: 299 total cpu time spent up to now is 229.1 secs Computing kpt #: 300 total cpu time spent up to now is 229.9 secs Computing kpt #: 301 total cpu time spent up to now is 230.7 secs Computing kpt #: 302 total cpu time spent up to now is 231.5 secs Computing kpt #: 303 total cpu time spent up to now is 232.3 secs Computing kpt #: 304 total cpu time spent up to now is 233.1 secs Computing kpt #: 305 total cpu time spent up to now is 233.8 secs Computing kpt #: 306 total cpu time spent up to now is 234.6 secs Computing kpt #: 307 total cpu time spent up to now is 235.4 secs Computing kpt #: 308 total cpu time spent up to now is 236.2 secs Computing kpt #: 309 total cpu time spent up to now is 237.0 secs Computing kpt #: 310 total cpu time spent up to now is 237.8 secs Computing kpt #: 311 total cpu time spent up to now is 238.7 secs Computing kpt #: 312 total cpu time spent up to now is 239.4 secs Computing kpt #: 313 total cpu time spent up to now is 240.2 secs Computing kpt #: 314 total cpu time spent up to now is 241.0 secs Computing kpt #: 315 total cpu time spent up to now is 241.8 secs Computing kpt #: 316 total cpu time spent up to now is 242.6 secs Computing kpt #: 317 total cpu time spent up to now is 243.4 secs Computing kpt #: 318 total cpu time spent up to now is 244.2 secs Computing kpt #: 319 total cpu time spent up to now is 245.0 secs Computing kpt #: 320 total cpu time spent up to now is 245.8 secs Computing kpt #: 321 total cpu time spent up to now is 246.6 secs Computing kpt #: 322 total cpu time spent up to now is 247.3 secs Computing kpt #: 323 total cpu time spent up to now is 248.1 secs Computing kpt #: 324 total cpu time spent up to now is 248.9 secs Computing kpt #: 325 total cpu time spent up to now is 249.7 secs Computing kpt #: 326 total cpu time spent up to now is 250.4 secs Computing kpt #: 327 total cpu time spent up to now is 251.2 secs Computing kpt #: 328 total cpu time spent up to now is 252.0 secs Computing kpt #: 329 total cpu time spent up to now is 252.7 secs Computing kpt #: 330 total cpu time spent up to now is 253.5 secs Computing kpt #: 331 total cpu time spent up to now is 254.3 secs Computing kpt #: 332 total cpu time spent up to now is 255.0 secs Computing kpt #: 333 total cpu time spent up to now is 255.8 secs Computing kpt #: 334 total cpu time spent up to now is 256.6 secs Computing kpt #: 335 total cpu time spent up to now is 257.3 secs Computing kpt #: 336 total cpu time spent up to now is 258.1 secs Computing kpt #: 337 total cpu time spent up to now is 258.8 secs Computing kpt #: 338 total cpu time spent up to now is 259.5 secs Computing kpt #: 339 total cpu time spent up to now is 260.3 secs Computing kpt #: 340 total cpu time spent up to now is 261.0 secs Computing kpt #: 341 total cpu time spent up to now is 261.8 secs Computing kpt #: 342 total cpu time spent up to now is 262.5 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 264.1 secs Computing kpt #: 345 total cpu time spent up to now is 264.9 secs Computing kpt #: 346 total cpu time spent up to now is 265.6 secs Computing kpt #: 347 total cpu time spent up to now is 266.6 secs Computing kpt #: 348 total cpu time spent up to now is 267.7 secs Computing kpt #: 349 total cpu time spent up to now is 268.4 secs Computing kpt #: 350 total cpu time spent up to now is 269.2 secs Computing kpt #: 351 total cpu time spent up to now is 270.0 secs Computing kpt #: 352 total cpu time spent up to now is 270.8 secs Computing kpt #: 353 total cpu time spent up to now is 271.5 secs Computing kpt #: 354 total cpu time spent up to now is 272.3 secs Computing kpt #: 355 total cpu time spent up to now is 273.1 secs Computing kpt #: 356 total cpu time spent up to now is 273.9 secs Computing kpt #: 357 total cpu time spent up to now is 274.7 secs Computing kpt #: 358 total cpu time spent up to now is 275.5 secs Computing kpt #: 359 total cpu time spent up to now is 276.3 secs Computing kpt #: 360 total cpu time spent up to now is 277.1 secs Computing kpt #: 361 total cpu time spent up to now is 277.9 secs Computing kpt #: 362 total cpu time spent up to now is 278.7 secs Computing kpt #: 363 total cpu time spent up to now is 279.5 secs Computing kpt #: 364 total cpu time spent up to now is 280.3 secs Computing kpt #: 365 total cpu time spent up to now is 281.1 secs Computing kpt #: 366 total cpu time spent up to now is 281.9 secs Computing kpt #: 367 total cpu time spent up to now is 282.7 secs Computing kpt #: 368 total cpu time spent up to now is 283.5 secs Computing kpt #: 369 total cpu time spent up to now is 284.3 secs Computing kpt #: 370 total cpu time spent up to now is 285.1 secs Computing kpt #: 371 total cpu time spent up to now is 285.9 secs Computing kpt #: 372 total cpu time spent up to now is 286.7 secs Computing kpt #: 373 total cpu time spent up to now is 287.5 secs ethr = 2.27E-08, avg # of iterations = 35.4 total cpu time spent up to now is 287.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4479 PWs) bands (ev): -43.3419 -43.3419 -43.2996 -43.2996 -20.3831 -20.3831 -20.3769 -20.3769 -19.5809 -19.5809 -19.4399 -19.4399 -19.0454 -19.0454 -18.8089 -18.8089 4.9156 4.9156 5.2264 5.2264 5.3992 5.3992 7.0033 7.0033 7.9863 7.9863 8.2089 8.2089 8.3092 8.3092 8.5352 8.5352 8.8194 8.8194 9.5890 9.5890 9.6669 9.6669 12.7860 12.7860 13.7536 13.7536 13.9015 13.9015 14.1907 14.1907 15.3434 15.3434 15.9661 15.9661 16.1393 16.1393 k = 0.0000 0.0000 0.0145 ( 4479 PWs) bands (ev): -43.3419 -43.3419 -43.2996 -43.2996 -20.3831 -20.3831 -20.3769 -20.3769 -19.5808 -19.5808 -19.4400 -19.4400 -19.0453 -19.0453 -18.8090 -18.8090 4.9157 4.9157 5.2264 5.2264 5.4000 5.4000 7.0031 7.0031 7.9863 7.9863 8.2090 8.2090 8.3093 8.3093 8.5356 8.5356 8.8201 8.8201 9.5881 9.5881 9.6669 9.6669 12.7850 12.7850 13.7534 13.7534 13.9016 13.9016 14.1911 14.1911 15.3421 15.3421 15.9658 15.9658 16.1392 16.1392 k = 0.0000 0.0000 0.0289 ( 4482 PWs) bands (ev): -43.3419 -43.3419 -43.2996 -43.2996 -20.3831 -20.3831 -20.3769 -20.3769 -19.5807 -19.5807 -19.4402 -19.4402 -19.0452 -19.0452 -18.8092 -18.8092 4.9158 4.9158 5.2265 5.2265 5.4025 5.4025 7.0026 7.0026 7.9863 7.9863 8.2091 8.2091 8.3098 8.3098 8.5370 8.5370 8.8221 8.8221 9.5857 9.5857 9.6669 9.6669 12.7822 12.7822 13.7528 13.7528 13.9017 13.9017 14.1922 14.1922 15.3380 15.3380 15.9651 15.9651 16.1390 16.1390 k = 0.0000 0.0000 0.0434 ( 4481 PWs) bands (ev): -43.3418 -43.3418 -43.2997 -43.2997 -20.3831 -20.3831 -20.3769 -20.3769 -19.5806 -19.5806 -19.4404 -19.4404 -19.0449 -19.0449 -18.8095 -18.8095 4.9160 4.9160 5.2266 5.2266 5.4066 5.4066 7.0017 7.0017 7.9862 7.9862 8.2094 8.2094 8.3107 8.3107 8.5393 8.5393 8.8255 8.8255 9.5816 9.5816 9.6670 9.6670 12.7775 12.7775 13.7517 13.7517 13.9020 13.9020 14.1942 14.1942 15.3313 15.3313 15.9638 15.9638 16.1387 16.1387 k = 0.0000 0.0000 0.0579 ( 4479 PWs) bands (ev): -43.3418 -43.3418 -43.2997 -43.2997 -20.3831 -20.3831 -20.3769 -20.3769 -19.5804 -19.5804 -19.4408 -19.4408 -19.0445 -19.0445 -18.8099 -18.8099 4.9163 4.9163 5.2266 5.2266 5.4123 5.4123 7.0005 7.0005 7.9862 7.9862 8.2098 8.2098 8.3119 8.3119 8.5425 8.5425 8.8303 8.8303 9.5759 9.5759 9.6671 9.6671 12.7708 12.7708 13.7502 13.7502 13.9025 13.9025 14.1970 14.1970 15.3220 15.3220 15.9620 15.9620 16.1382 16.1382 k = 0.0000 0.0000 0.0724 ( 4472 PWs) bands (ev): -43.3417 -43.3417 -43.2998 -43.2998 -20.3830 -20.3830 -20.3769 -20.3769 -19.5801 -19.5801 -19.4413 -19.4413 -19.0440 -19.0440 -18.8104 -18.8104 4.9166 4.9166 5.2267 5.2267 5.4197 5.4197 6.9989 6.9989 7.9862 7.9862 8.2102 8.2102 8.3134 8.3134 8.5466 8.5466 8.8364 8.8364 9.5686 9.5686 9.6673 9.6673 12.7618 12.7618 13.7482 13.7482 13.9031 13.9031 14.2006 14.2006 15.3102 15.3102 15.9598 15.9598 16.1375 16.1375 k = 0.0000 0.0000 0.0868 ( 4476 PWs) bands (ev): -43.3415 -43.3415 -43.2999 -43.2999 -20.3830 -20.3830 -20.3770 -20.3770 -19.5797 -19.5797 -19.4419 -19.4419 -19.0434 -19.0434 -18.8110 -18.8110 4.9171 4.9171 5.2267 5.2267 5.4286 5.4286 6.9969 6.9969 7.9862 7.9862 8.2108 8.2108 8.3153 8.3153 8.5515 8.5515 8.8439 8.8439 9.5598 9.5598 9.6675 9.6675 12.7504 12.7504 13.7458 13.7458 13.9040 13.9040 14.2050 14.2050 15.2960 15.2960 15.9569 15.9569 16.1367 16.1367 k = 0.0000 0.0000 0.1013 ( 4472 PWs) bands (ev): -43.3414 -43.3414 -43.3001 -43.3001 -20.3830 -20.3830 -20.3770 -20.3770 -19.5793 -19.5793 -19.4427 -19.4427 -19.0427 -19.0427 -18.8117 -18.8117 4.9176 4.9176 5.2267 5.2267 5.4392 5.4392 6.9946 6.9946 7.9862 7.9862 8.2114 8.2114 8.3176 8.3176 8.5574 8.5574 8.8527 8.8527 9.5495 9.5495 9.6678 9.6678 12.7364 12.7364 13.7429 13.7429 13.9051 13.9051 14.2101 14.2101 15.2795 15.2795 15.9536 15.9536 16.1358 16.1358 k = 0.0000 0.0000 0.1158 ( 4472 PWs) bands (ev): -43.3412 -43.3412 -43.3002 -43.3002 -20.3830 -20.3830 -20.3770 -20.3770 -19.5788 -19.5788 -19.4435 -19.4435 -19.0419 -19.0419 -18.8126 -18.8126 4.9182 4.9182 5.2266 5.2266 5.4513 5.4513 6.9919 6.9919 7.9861 7.9861 8.2121 8.2121 8.3202 8.3202 8.5640 8.5640 8.8629 8.8629 9.5379 9.5379 9.6683 9.6683 12.7194 12.7194 13.7396 13.7396 13.9067 13.9067 14.2159 14.2159 15.2611 15.2611 15.9496 15.9496 16.1346 16.1346 k = 0.0000 0.0000 0.1303 ( 4472 PWs) bands (ev): -43.3411 -43.3411 -43.3004 -43.3004 -20.3829 -20.3829 -20.3771 -20.3771 -19.5783 -19.5783 -19.4444 -19.4444 -19.0410 -19.0410 -18.8135 -18.8135 4.9189 4.9189 5.2265 5.2265 5.4650 5.4650 6.9888 6.9888 7.9861 7.9861 8.2128 8.2128 8.3232 8.3232 8.5715 8.5715 8.8744 8.8744 9.5249 9.5249 9.6689 9.6689 12.6993 12.6993 13.7358 13.7358 13.9087 13.9087 14.2225 14.2225 15.2410 15.2410 15.9451 15.9451 16.1333 16.1333 k = 0.0000 0.0000 0.1447 ( 4471 PWs) bands (ev): -43.3409 -43.3409 -43.3006 -43.3006 -20.3829 -20.3829 -20.3771 -20.3771 -19.5777 -19.5777 -19.4454 -19.4454 -19.0401 -19.0401 -18.8146 -18.8146 4.9196 4.9196 5.2263 5.2263 5.4802 5.4802 6.9854 6.9854 7.9860 7.9860 8.2136 8.2136 8.3266 8.3266 8.5798 8.5798 8.8872 8.8872 9.5106 9.5106 9.6697 9.6697 12.6756 12.6756 13.7315 13.7315 13.9112 13.9112 14.2297 14.2297 15.2195 15.2195 15.9400 15.9400 16.1317 16.1317 k = 0.0000 0.0000 0.1592 ( 4469 PWs) bands (ev): -43.3406 -43.3406 -43.3008 -43.3008 -20.3828 -20.3828 -20.3772 -20.3772 -19.5771 -19.5771 -19.4465 -19.4465 -19.0390 -19.0390 -18.8157 -18.8157 4.9204 4.9204 5.2259 5.2259 5.4967 5.4967 6.9815 6.9815 7.9860 7.9860 8.2144 8.2144 8.3304 8.3304 8.5888 8.5888 8.9014 8.9014 9.4952 9.4952 9.6708 9.6708 12.6481 12.6481 13.7268 13.7268 13.9144 13.9144 14.2375 14.2375 15.1970 15.1970 15.9342 15.9342 16.1298 16.1298 k = 0.0000 0.0000 0.1737 ( 4473 PWs) bands (ev): -43.3404 -43.3404 -43.3010 -43.3010 -20.3828 -20.3828 -20.3772 -20.3772 -19.5764 -19.5764 -19.4477 -19.4477 -19.0378 -19.0378 -18.8169 -18.8169 4.9213 4.9213 5.2255 5.2255 5.5147 5.5147 6.9773 6.9773 7.9859 7.9859 8.2153 8.2153 8.3346 8.3346 8.5985 8.5985 8.9168 8.9168 9.4787 9.4787 9.6722 9.6722 12.6164 12.6164 13.7218 13.7218 13.9184 13.9184 14.2458 14.2458 15.1739 15.1739 15.9278 15.9278 16.1276 16.1276 k = 0.0000 0.0000 0.1881 ( 4472 PWs) bands (ev): -43.3401 -43.3401 -43.3012 -43.3012 -20.3827 -20.3827 -20.3773 -20.3773 -19.5756 -19.5756 -19.4490 -19.4490 -19.0366 -19.0366 -18.8182 -18.8182 4.9222 4.9222 5.2250 5.2250 5.5339 5.5339 6.9727 6.9727 7.9859 7.9859 8.2161 8.2161 8.3392 8.3392 8.6089 8.6089 8.9334 8.9334 9.4612 9.4612 9.6740 9.6740 12.5803 12.5803 13.7163 13.7163 13.9232 13.9232 14.2547 14.2547 15.1508 15.1508 15.9208 15.9208 16.1251 16.1251 k = 0.0000 0.0000 0.2026 ( 4470 PWs) bands (ev): -43.3399 -43.3399 -43.3015 -43.3015 -20.3826 -20.3826 -20.3774 -20.3774 -19.5748 -19.5748 -19.4504 -19.4504 -19.0353 -19.0353 -18.8196 -18.8196 4.9231 4.9231 5.2244 5.2244 5.5543 5.5543 6.9676 6.9676 7.9858 7.9858 8.2170 8.2170 8.3442 8.3442 8.6199 8.6199 8.9512 8.9512 9.4429 9.4429 9.6763 9.6763 12.5395 12.5395 13.7105 13.7105 13.9289 13.9289 14.2640 14.2640 15.1281 15.1281 15.9130 15.9130 16.1220 16.1220 k = 0.0000 0.0000 0.2171 ( 4470 PWs) bands (ev): -43.3396 -43.3396 -43.3017 -43.3017 -20.3826 -20.3826 -20.3774 -20.3774 -19.5739 -19.5739 -19.4518 -19.4518 -19.0339 -19.0339 -18.8211 -18.8211 4.9241 4.9241 5.2238 5.2238 5.5759 5.5759 6.9622 6.9622 7.9857 7.9857 8.2178 8.2178 8.3496 8.3496 8.6314 8.6314 8.9701 8.9701 9.4237 9.4237 9.6792 9.6792 12.4938 12.4938 13.7045 13.7045 13.9356 13.9356 14.2736 14.2736 15.1063 15.1063 15.9045 15.9045 16.1185 16.1185 k = 0.0000 0.0000 0.2316 ( 4464 PWs) bands (ev): -43.3393 -43.3393 -43.3020 -43.3020 -20.3825 -20.3825 -20.3775 -20.3775 -19.5730 -19.5730 -19.4533 -19.4533 -19.0324 -19.0324 -18.8226 -18.8226 4.9252 4.9252 5.2231 5.2231 5.5984 5.5984 6.9564 6.9564 7.9856 7.9856 8.2187 8.2187 8.3554 8.3554 8.6434 8.6434 8.9901 8.9901 9.4039 9.4039 9.6829 9.6829 12.4432 12.4432 13.6981 13.6981 13.9434 13.9434 14.2835 14.2835 15.0860 15.0860 15.8953 15.8953 16.1143 16.1143 k = 0.0000 0.0000 0.2460 ( 4474 PWs) bands (ev): -43.3390 -43.3390 -43.3023 -43.3023 -20.3824 -20.3824 -20.3776 -20.3776 -19.5720 -19.5720 -19.4548 -19.4548 -19.0309 -19.0309 -18.8242 -18.8242 4.9262 4.9262 5.2223 5.2223 5.6218 5.6218 6.9502 6.9502 7.9856 7.9856 8.2195 8.2195 8.3616 8.3616 8.6559 8.6559 9.0110 9.0110 9.3835 9.3835 9.6874 9.6874 12.3876 12.3876 13.6916 13.6916 13.9523 13.9523 14.2935 14.2935 15.0675 15.0675 15.8853 15.8853 16.1094 16.1094 k = 0.0000 0.0000 0.2605 ( 4476 PWs) bands (ev): -43.3387 -43.3387 -43.3026 -43.3026 -20.3824 -20.3824 -20.3777 -20.3777 -19.5710 -19.5710 -19.4565 -19.4565 -19.0294 -19.0294 -18.8258 -18.8258 4.9273 4.9273 5.2214 5.2214 5.6460 5.6460 6.9436 6.9436 7.9855 7.9855 8.2203 8.2203 8.3683 8.3683 8.6687 8.6687 9.0326 9.0326 9.3626 9.3626 9.6931 9.6931 12.3270 12.3270 13.6849 13.6849 13.9623 13.9623 14.3037 14.3037 15.0513 15.0513 15.8746 15.8746 16.1036 16.1036 k = 0.0000 0.0000 0.2750 ( 4476 PWs) bands (ev): -43.3383 -43.3383 -43.3029 -43.3029 -20.3823 -20.3823 -20.3777 -20.3777 -19.5700 -19.5700 -19.4581 -19.4581 -19.0278 -19.0278 -18.8275 -18.8275 4.9284 4.9284 5.2205 5.2205 5.6708 5.6708 6.9367 6.9367 7.9854 7.9854 8.2211 8.2211 8.3753 8.3753 8.6818 8.6818 9.0549 9.0549 9.3414 9.3414 9.7001 9.7001 12.2617 12.2617 13.6782 13.6782 13.9733 13.9733 14.3140 14.3140 15.0377 15.0377 15.8630 15.8630 16.0968 16.0968 k = 0.0000 0.0000 0.2895 ( 4474 PWs) bands (ev): -43.3380 -43.3380 -43.3032 -43.3032 -20.3822 -20.3822 -20.3778 -20.3778 -19.5689 -19.5689 -19.4598 -19.4598 -19.0261 -19.0261 -18.8292 -18.8292 4.9296 4.9296 5.2196 5.2196 5.6962 5.6962 6.9293 6.9293 7.9853 7.9853 8.2218 8.2218 8.3826 8.3826 8.6951 8.6951 9.0776 9.0776 9.3200 9.3200 9.7088 9.7088 12.1919 12.1919 13.6714 13.6714 13.9854 13.9854 14.3242 14.3242 15.0269 15.0269 15.8507 15.8507 16.0888 16.0888 k = 0.0000 0.0000 0.3039 ( 4480 PWs) bands (ev): -43.3377 -43.3377 -43.3035 -43.3035 -20.3821 -20.3821 -20.3779 -20.3779 -19.5678 -19.5678 -19.4615 -19.4615 -19.0245 -19.0245 -18.8309 -18.8309 4.9307 4.9307 5.2187 5.2187 5.7219 5.7219 6.9217 6.9217 7.9852 7.9852 8.2225 8.2225 8.3904 8.3904 8.7084 8.7084 9.1004 9.1004 9.2984 9.2984 9.7194 9.7194 12.1178 12.1178 13.6646 13.6646 13.9983 13.9983 14.3343 14.3343 15.0192 15.0192 15.8375 15.8375 16.0796 16.0796 k = 0.0000 0.0000 0.3184 ( 4480 PWs) bands (ev): -43.3373 -43.3373 -43.3038 -43.3038 -20.3820 -20.3820 -20.3780 -20.3780 -19.5666 -19.5666 -19.4633 -19.4633 -19.0228 -19.0228 -18.8327 -18.8327 4.9318 4.9318 5.2177 5.2177 5.7478 5.7478 6.9137 6.9137 7.9852 7.9852 8.2232 8.2232 8.3984 8.3984 8.7218 8.7218 9.1231 9.1231 9.2769 9.2769 9.7322 9.7322 12.0399 12.0399 13.6579 13.6579 14.0120 14.0120 14.3442 14.3442 15.0147 15.0147 15.8236 15.8236 16.0692 16.0692 k = 0.0000 0.0000 0.3329 ( 4482 PWs) bands (ev): -43.3370 -43.3370 -43.3041 -43.3041 -20.3819 -20.3819 -20.3781 -20.3781 -19.5654 -19.5654 -19.4650 -19.4650 -19.0211 -19.0211 -18.8344 -18.8344 4.9330 4.9330 5.2167 5.2167 5.7738 5.7738 6.9055 6.9055 7.9851 7.9851 8.2238 8.2238 8.4068 8.4068 8.7351 8.7351 9.1454 9.1454 9.2555 9.2555 9.7478 9.7478 11.9585 11.9585 13.6514 13.6514 14.0264 14.0264 14.3539 14.3539 15.0136 15.0136 15.8087 15.8087 16.0577 16.0577 k = 0.0000 0.0000 0.3474 ( 4483 PWs) bands (ev): -43.3367 -43.3367 -43.3044 -43.3044 -20.3818 -20.3818 -20.3782 -20.3782 -19.5643 -19.5643 -19.4668 -19.4668 -19.0195 -19.0195 -18.8362 -18.8362 4.9341 4.9341 5.2158 5.2158 5.7997 5.7997 6.8970 6.8970 7.9850 7.9850 8.2244 8.2244 8.4154 8.4154 8.7481 8.7481 9.1668 9.1668 9.2344 9.2344 9.7664 9.7664 11.8742 11.8742 13.6450 13.6450 14.0412 14.0412 14.3633 14.3633 15.0157 15.0157 15.7930 15.7930 16.0452 16.0452 k = 0.0000 0.0000 0.3618 ( 4480 PWs) bands (ev): -43.3363 -43.3363 -43.3047 -43.3047 -20.3817 -20.3817 -20.3783 -20.3783 -19.5631 -19.5631 -19.4686 -19.4686 -19.0178 -19.0178 -18.8379 -18.8379 4.9352 4.9352 5.2148 5.2148 5.8253 5.8253 6.8884 6.8884 7.9849 7.9849 8.2250 8.2250 8.4242 8.4242 8.7609 8.7609 9.1871 9.1871 9.2138 9.2138 9.7884 9.7884 11.7873 11.7873 13.6388 13.6388 14.0563 14.0563 14.3723 14.3723 15.0212 15.0212 15.7764 15.7764 16.0319 16.0319 k = 0.0000 0.0000 0.3763 ( 4487 PWs) bands (ev): -43.3360 -43.3360 -43.3050 -43.3050 -20.3816 -20.3816 -20.3784 -20.3784 -19.5619 -19.5619 -19.4703 -19.4703 -19.0162 -19.0162 -18.8395 -18.8395 4.9362 4.9362 5.2138 5.2138 5.8505 5.8505 6.8796 6.8796 7.9848 7.9848 8.2254 8.2254 8.4332 8.4332 8.7732 8.7732 9.1929 9.1929 9.2068 9.2068 9.8143 9.8143 11.6983 11.6983 13.6328 13.6328 14.0714 14.0714 14.3810 14.3810 15.0299 15.0299 15.7588 15.7588 16.0181 16.0181 k = 0.0000 0.0000 0.3908 ( 4488 PWs) bands (ev): -43.3357 -43.3357 -43.3053 -43.3053 -20.3815 -20.3815 -20.3785 -20.3785 -19.5607 -19.5607 -19.4720 -19.4720 -19.0146 -19.0146 -18.8412 -18.8412 4.9372 4.9372 5.2129 5.2129 5.8751 5.8751 6.8708 6.8708 7.9847 7.9847 8.2259 8.2259 8.4423 8.4423 8.7850 8.7850 9.1737 9.1737 9.2237 9.2237 9.8444 9.8444 11.6078 11.6078 13.6272 13.6272 14.0864 14.0864 14.3891 14.3891 15.0417 15.0417 15.7401 15.7401 16.0040 16.0040 k = 0.0000 0.0000 0.4052 ( 4488 PWs) bands (ev): -43.3354 -43.3354 -43.3056 -43.3056 -20.3814 -20.3814 -20.3786 -20.3786 -19.5596 -19.5596 -19.4736 -19.4736 -19.0131 -19.0131 -18.8428 -18.8428 4.9382 4.9382 5.2120 5.2120 5.8988 5.8988 6.8620 6.8620 7.9847 7.9847 8.2263 8.2263 8.4514 8.4514 8.7961 8.7961 9.1551 9.1551 9.2392 9.2392 9.8788 9.8788 11.5160 11.5160 13.6219 13.6219 14.1009 14.1009 14.3968 14.3968 15.0566 15.0566 15.7204 15.7204 15.9899 15.9899 k = 0.0000 0.0000 0.4197 ( 4494 PWs) bands (ev): -43.3351 -43.3351 -43.3059 -43.3059 -20.3813 -20.3813 -20.3787 -20.3787 -19.5584 -19.5584 -19.4752 -19.4752 -19.0117 -19.0117 -18.8443 -18.8443 4.9391 4.9391 5.2112 5.2112 5.9215 5.9215 6.8533 6.8533 7.9846 7.9846 8.2267 8.2267 8.4604 8.4604 8.8064 8.8064 9.1374 9.1374 9.2527 9.2527 9.9177 9.9177 11.4236 11.4236 13.6170 13.6170 14.1150 14.1150 14.4039 14.4039 15.0743 15.0743 15.6995 15.6995 15.9762 15.9762 k = 0.0000 0.0000 0.4342 ( 4500 PWs) bands (ev): -43.3348 -43.3348 -43.3062 -43.3062 -20.3812 -20.3812 -20.3789 -20.3789 -19.5573 -19.5573 -19.4767 -19.4767 -19.0103 -19.0103 -18.8457 -18.8457 4.9399 4.9399 5.2104 5.2104 5.9430 5.9430 6.8449 6.8449 7.9845 7.9845 8.2270 8.2270 8.4692 8.4692 8.8158 8.8158 9.1210 9.1210 9.2643 9.2643 9.9612 9.9612 11.3309 11.3309 13.6124 13.6124 14.1282 14.1282 14.4105 14.4105 15.0945 15.0945 15.6774 15.6774 15.9629 15.9629 k = 0.0000 0.0000 0.4487 ( 4502 PWs) bands (ev): -43.3345 -43.3345 -43.3064 -43.3064 -20.3811 -20.3811 -20.3790 -20.3790 -19.5563 -19.5563 -19.4781 -19.4781 -19.0091 -19.0091 -18.8470 -18.8470 4.9407 4.9407 5.2097 5.2097 5.9630 5.9630 6.8368 6.8368 7.9845 7.9845 8.2273 8.2273 8.4778 8.4778 8.8242 8.8242 9.1058 9.1058 9.2741 9.2741 10.0091 10.0091 11.2383 11.2383 13.6083 13.6083 14.1405 14.1405 14.4164 14.4164 15.1171 15.1171 15.6541 15.6541 15.9505 15.9505 k = 0.0000 0.0000 0.4631 ( 4501 PWs) bands (ev): -43.3343 -43.3343 -43.3066 -43.3066 -20.3810 -20.3810 -20.3791 -20.3791 -19.5554 -19.5554 -19.4794 -19.4794 -19.0079 -19.0079 -18.8482 -18.8482 4.9414 4.9414 5.2090 5.2090 5.9814 5.9814 6.8292 6.8292 7.9844 7.9844 8.2276 8.2276 8.4858 8.4858 8.8315 8.8315 9.0923 9.0923 9.2822 9.2822 10.0614 10.0614 11.1462 11.1462 13.6046 13.6046 14.1518 14.1518 14.4217 14.4217 15.1416 15.1416 15.6297 15.6297 15.9390 15.9390 k = 0.0000 0.0000 0.4776 ( 4506 PWs) bands (ev): -43.3341 -43.3341 -43.3068 -43.3068 -20.3809 -20.3809 -20.3792 -20.3792 -19.5545 -19.5545 -19.4806 -19.4806 -19.0069 -19.0069 -18.8492 -18.8492 4.9420 4.9420 5.2084 5.2084 5.9979 5.9979 6.8222 6.8222 7.9844 7.9844 8.2278 8.2278 8.4933 8.4933 8.8377 8.8377 9.0803 9.0803 9.2887 9.2887 10.1179 10.1179 11.0549 11.0549 13.6013 13.6013 14.1617 14.1617 14.4264 14.4264 15.1677 15.1677 15.6043 15.6043 15.9287 15.9287 k = 0.0000 0.0000 0.4921 ( 4502 PWs) bands (ev): -43.3339 -43.3339 -43.3070 -43.3070 -20.3808 -20.3808 -20.3793 -20.3793 -19.5537 -19.5537 -19.4816 -19.4816 -19.0060 -19.0060 -18.8501 -18.8501 4.9426 4.9426 5.2079 5.2079 6.0123 6.0123 6.8159 6.8159 7.9843 7.9843 8.2280 8.2280 8.5001 8.5001 8.8426 8.8426 9.0702 9.0702 9.2939 9.2939 10.1783 10.1783 10.9649 10.9649 13.5986 13.5986 14.1704 14.1704 14.4303 14.4303 15.1946 15.1946 15.5783 15.5783 15.9197 15.9197 k = 0.0000 0.0000 0.5066 ( 4496 PWs) bands (ev): -43.3337 -43.3337 -43.3072 -43.3072 -20.3807 -20.3807 -20.3794 -20.3794 -19.5531 -19.5531 -19.4825 -19.4825 -19.0053 -19.0053 -18.8509 -18.8509 4.9430 4.9430 5.2075 5.2075 6.0244 6.0244 6.8106 6.8106 7.9843 7.9843 8.2281 8.2281 8.5059 8.5059 8.8465 8.8465 9.0619 9.0619 9.2978 9.2978 10.2424 10.2424 10.8764 10.8764 13.5963 13.5963 14.1776 14.1776 14.4336 14.4336 15.2217 15.2217 15.5524 15.5524 15.9122 15.9122 k = 0.0000 0.0000 0.5210 ( 4498 PWs) bands (ev): -43.3336 -43.3336 -43.3073 -43.3073 -20.3806 -20.3806 -20.3795 -20.3795 -19.5526 -19.5526 -19.4832 -19.4832 -19.0047 -19.0047 -18.8515 -18.8515 4.9433 4.9433 5.2072 5.2072 6.0340 6.0340 6.8063 6.8063 7.9843 7.9843 8.2282 8.2282 8.5106 8.5106 8.8493 8.8493 9.0555 9.0555 9.3007 9.3007 10.3098 10.3098 10.7901 10.7901 13.5945 13.5945 14.1832 14.1832 14.4362 14.4362 15.2476 15.2476 15.5275 15.5275 15.9062 15.9062 k = 0.0000 0.0000 0.5355 ( 4498 PWs) bands (ev): -43.3335 -43.3335 -43.3074 -43.3074 -20.3805 -20.3805 -20.3796 -20.3796 -19.5522 -19.5522 -19.4837 -19.4837 -19.0043 -19.0043 -18.8520 -18.8520 4.9436 4.9436 5.2070 5.2070 6.0410 6.0410 6.8031 6.8031 7.9842 7.9842 8.2283 8.2283 8.5141 8.5141 8.8512 8.8512 9.0510 9.0510 9.3027 9.3027 10.3797 10.3797 10.7066 10.7066 13.5932 13.5932 14.1873 14.1873 14.4380 14.4380 15.2703 15.2703 15.5056 15.5056 15.9019 15.9019 k = 0.0000 0.0000 0.5500 ( 4500 PWs) bands (ev): -43.3335 -43.3335 -43.3074 -43.3074 -20.3804 -20.3804 -20.3796 -20.3796 -19.5519 -19.5519 -19.4840 -19.4840 -19.0040 -19.0040 -18.8522 -18.8522 4.9437 4.9437 5.2068 5.2068 6.0452 6.0452 6.8012 6.8012 7.9842 7.9842 8.2284 8.2284 8.5162 8.5162 8.8522 8.8522 9.0483 9.0483 9.3038 9.3038 10.4497 10.4497 10.6284 10.6284 13.5924 13.5924 14.1898 14.1898 14.4391 14.4391 15.2867 15.2867 15.4897 15.4897 15.8993 15.8993 k = 0.0000 0.0000 0.5644 ( 4506 PWs) bands (ev): -43.3335 -43.3335 -43.3074 -43.3074 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4841 -19.4841 -19.0039 -19.0039 -18.8523 -18.8523 4.9438 4.9438 5.2068 5.2068 6.0466 6.0466 6.8005 6.8005 7.9842 7.9842 8.2284 8.2284 8.5170 8.5170 8.8526 8.8526 9.0474 9.0474 9.3042 9.3042 10.4963 10.4963 10.5791 10.5791 13.5922 13.5922 14.1906 14.1906 14.4395 14.4395 15.2929 15.2929 15.4837 15.4837 15.8984 15.8984 k = 0.0000 0.0000 0.5644 ( 4506 PWs) bands (ev): -43.3335 -43.3335 -43.3074 -43.3074 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4841 -19.4841 -19.0039 -19.0039 -18.8523 -18.8523 4.9438 4.9438 5.2068 5.2068 6.0466 6.0466 6.8005 6.8005 7.9842 7.9842 8.2284 8.2284 8.5170 8.5170 8.8526 8.8526 9.0474 9.0474 9.3042 9.3042 10.4963 10.4963 10.5791 10.5791 13.5922 13.5922 14.1906 14.1906 14.4395 14.4395 15.2929 15.2929 15.4837 15.4837 15.8984 15.8984 k = 0.0000 0.0146 0.5644 ( 4500 PWs) bands (ev): -43.3330 -43.3330 -43.3070 -43.3070 -20.3962 -20.3962 -20.3669 -20.3669 -19.5547 -19.5547 -19.4798 -19.4798 -19.0040 -19.0040 -18.8524 -18.8524 4.9450 4.9450 5.2078 5.2078 6.0430 6.0430 6.7936 6.7936 7.9830 7.9830 8.2283 8.2283 8.5175 8.5175 8.8548 8.8548 9.0481 9.0481 9.3036 9.3036 10.4996 10.4996 10.5834 10.5834 13.5904 13.5904 14.1890 14.1890 14.4399 14.4399 15.2842 15.2842 15.4781 15.4781 15.9147 15.9147 k = 0.0000 0.0292 0.5644 ( 4500 PWs) bands (ev): -43.3318 -43.3318 -43.3057 -43.3057 -20.4151 -20.4151 -20.3570 -20.3570 -19.5614 -19.5614 -19.4687 -19.4687 -19.0042 -19.0042 -18.8527 -18.8527 4.9488 4.9488 5.2109 5.2109 6.0322 6.0322 6.7729 6.7729 7.9793 7.9793 8.2281 8.2281 8.5193 8.5193 8.8611 8.8611 9.0504 9.0504 9.3018 9.3018 10.5092 10.5092 10.5964 10.5964 13.5851 13.5851 14.1844 14.1844 14.4414 14.4414 15.2602 15.2602 15.4639 15.4639 15.9590 15.9590 k = 0.0000 0.0438 0.5644 ( 4498 PWs) bands (ev): -43.3297 -43.3297 -43.3036 -43.3036 -20.4365 -20.4365 -20.3507 -20.3507 -19.5692 -19.5692 -19.4537 -19.4537 -19.0045 -19.0045 -18.8531 -18.8531 4.9550 4.9550 5.2161 5.2161 6.0144 6.0144 6.7393 6.7393 7.9739 7.9739 8.2280 8.2280 8.5223 8.5223 8.8703 8.8703 9.0540 9.0540 9.2986 9.2986 10.5247 10.5247 10.6181 10.6181 13.5764 13.5764 14.1774 14.1774 14.4437 14.4437 15.2256 15.2256 15.4453 15.4453 16.0213 16.0213 k = 0.0000 0.0584 0.5644 ( 4497 PWs) bands (ev): -43.3268 -43.3268 -43.3006 -43.3006 -20.4601 -20.4601 -20.3481 -20.3481 -19.5763 -19.5763 -19.4366 -19.4366 -19.0049 -19.0049 -18.8536 -18.8536 4.9637 4.9637 5.2233 5.2233 5.9897 5.9897 6.6937 6.6937 7.9672 7.9672 8.2282 8.2282 8.5267 8.5267 8.8807 8.8807 9.0586 9.0586 9.2937 9.2937 10.5456 10.5456 10.6488 10.6488 13.5642 13.5642 14.1689 14.1689 14.4470 14.4470 15.1857 15.1857 15.4250 15.4250 16.0895 16.0895 k = 0.0000 0.0730 0.5644 ( 4499 PWs) bands (ev): -43.3231 -43.3231 -43.2968 -43.2968 -20.4856 -20.4856 -20.3493 -20.3493 -19.5819 -19.5819 -19.4183 -19.4183 -19.0055 -19.0055 -18.8543 -18.8543 4.9748 4.9748 5.2325 5.2325 5.9585 5.9585 6.6375 6.6375 7.9601 7.9601 8.2290 8.2290 8.5324 8.5324 8.8906 8.8906 9.0639 9.0639 9.2866 9.2866 10.5709 10.5709 10.6885 10.6885 13.5487 13.5487 14.1602 14.1602 14.4512 14.4512 15.1447 15.1447 15.4047 15.4047 16.1480 16.1480 k = 0.0000 0.0876 0.5644 ( 4503 PWs) bands (ev): -43.3186 -43.3186 -43.2922 -43.2922 -20.5128 -20.5128 -20.3545 -20.3545 -19.5856 -19.5856 -19.3994 -19.3994 -19.0061 -19.0061 -18.8552 -18.8552 4.9884 4.9884 5.2438 5.2438 5.9211 5.9211 6.5722 6.5722 7.9532 7.9532 8.2306 8.2306 8.5396 8.5396 8.8985 8.8985 9.0693 9.0693 9.2770 9.2770 10.5999 10.5999 10.7372 10.7372 13.5299 13.5299 14.1527 14.1527 14.4562 14.4562 15.1055 15.1055 15.3855 15.3855 16.1858 16.1858 k = 0.0000 0.1022 0.5644 ( 4495 PWs) bands (ev): -43.3132 -43.3132 -43.2868 -43.2868 -20.5416 -20.5416 -20.3634 -20.3634 -19.5872 -19.5872 -19.3803 -19.3803 -19.0067 -19.0067 -18.8562 -18.8562 5.0044 5.0044 5.2571 5.2571 5.8781 5.8781 6.4993 6.4993 7.9472 7.9472 8.2334 8.2334 8.5481 8.5481 8.9029 8.9029 9.0745 9.0745 9.2643 9.2643 10.6313 10.6313 10.7947 10.7947 13.5080 13.5080 14.1480 14.1480 14.4622 14.4622 15.0699 15.0699 15.3681 15.3681 16.2073 16.2073 k = 0.0000 0.1168 0.5644 ( 4501 PWs) bands (ev): -43.3071 -43.3071 -43.2806 -43.2806 -20.5716 -20.5716 -20.3761 -20.3761 -19.5868 -19.5868 -19.3613 -19.3613 -19.0075 -19.0075 -18.8573 -18.8573 5.0228 5.0228 5.2723 5.2723 5.8300 5.8300 6.4202 6.4202 7.9424 7.9424 8.2373 8.2373 8.5579 8.5579 8.9027 8.9027 9.0791 9.0791 9.2481 9.2481 10.6642 10.6642 10.8605 10.8605 13.4831 13.4831 14.1477 14.1477 14.4689 14.4689 15.0391 15.0391 15.3533 15.3533 16.2199 16.2199 k = 0.0000 0.1314 0.5644 ( 4498 PWs) bands (ev): -43.3003 -43.3003 -43.2736 -43.2736 -20.6028 -20.6028 -20.3922 -20.3922 -19.5845 -19.5845 -19.3427 -19.3427 -19.0082 -19.0082 -18.8584 -18.8584 5.0436 5.0436 5.2894 5.2894 5.7775 5.7775 6.3363 6.3363 7.9393 7.9393 8.2425 8.2425 8.5690 8.5690 8.8969 8.8969 9.0835 9.0835 9.2280 9.2280 10.6976 10.6976 10.9342 10.9342 13.4553 13.4553 14.1530 14.1530 14.4766 14.4766 15.0137 15.0137 15.3413 15.3413 16.2274 16.2274 k = 0.0000 0.1460 0.5644 ( 4502 PWs) bands (ev): -43.2927 -43.2927 -43.2659 -43.2659 -20.6350 -20.6350 -20.4116 -20.4116 -19.5805 -19.5805 -19.3245 -19.3245 -19.0089 -19.0089 -18.8597 -18.8597 5.0667 5.0667 5.3082 5.3082 5.7212 5.7212 6.2488 6.2488 7.9380 7.9380 8.2491 8.2491 8.5812 8.5812 8.8845 8.8845 9.0877 9.0877 9.2035 9.2035 10.7307 10.7307 11.0150 11.0150 13.4248 13.4248 14.1651 14.1651 14.4850 14.4850 14.9944 14.9944 15.3325 15.3325 16.2314 16.2314 k = 0.0000 0.1606 0.5644 ( 4500 PWs) bands (ev): -43.2844 -43.2844 -43.2574 -43.2574 -20.6680 -20.6680 -20.4339 -20.4339 -19.5750 -19.5750 -19.3070 -19.3070 -19.0095 -19.0095 -18.8611 -18.8611 5.0921 5.0921 5.3286 5.3286 5.6620 5.6620 6.1588 6.1588 7.9387 7.9387 8.2568 8.2568 8.5943 8.5943 8.8649 8.8649 9.0923 9.0923 9.1743 9.1743 10.7629 10.7629 11.1018 11.1018 13.3918 13.3918 14.1848 14.1848 14.4943 14.4943 14.9816 14.9816 15.3271 15.3271 16.2327 16.2327 k = 0.0000 0.1752 0.5644 ( 4496 PWs) bands (ev): -43.2754 -43.2754 -43.2483 -43.2483 -20.7017 -20.7017 -20.4588 -20.4588 -19.5683 -19.5683 -19.2904 -19.2904 -19.0100 -19.0100 -18.8625 -18.8625 5.1198 5.1198 5.3499 5.3499 5.6012 5.6012 6.0673 6.0673 7.9414 7.9414 8.2656 8.2656 8.6082 8.6082 8.8382 8.8382 9.0971 9.0971 9.1406 9.1406 10.7938 10.7938 11.1939 11.1939 13.3563 13.3563 14.2126 14.2126 14.5043 14.5043 14.9758 14.9758 15.3251 15.3251 16.2321 16.2321 k = 0.0000 0.1899 0.5644 ( 4492 PWs) bands (ev): -43.2657 -43.2657 -43.2384 -43.2384 -20.7360 -20.7360 -20.4860 -20.4860 -19.5607 -19.5607 -19.2748 -19.2748 -19.0103 -19.0103 -18.8639 -18.8639 5.1496 5.1496 5.3704 5.3704 5.5412 5.5412 5.9751 5.9751 7.9461 7.9461 8.2751 8.2751 8.6225 8.6225 8.8045 8.8045 9.0944 9.0944 9.1098 9.1098 10.8234 10.8234 11.2902 11.2902 13.3187 13.3187 14.2482 14.2482 14.5152 14.5152 14.9771 14.9771 15.3268 15.3268 16.2302 16.2302 k = 0.0000 0.2045 0.5644 ( 4494 PWs) bands (ev): -43.2554 -43.2554 -43.2279 -43.2279 -20.7708 -20.7708 -20.5152 -20.5152 -19.5524 -19.5524 -19.2603 -19.2603 -19.0104 -19.0104 -18.8653 -18.8653 5.1814 5.1814 5.3828 5.3828 5.4900 5.4900 5.8831 5.8831 7.9527 7.9527 8.2849 8.2849 8.6365 8.6365 8.7651 8.7651 9.0540 9.0540 9.1121 9.1121 10.8515 10.8515 11.3899 11.3899 13.2792 13.2792 14.2911 14.2911 14.5268 14.5268 14.9858 14.9858 15.3324 15.3324 16.2274 16.2274 k = 0.0000 0.2191 0.5644 ( 4490 PWs) bands (ev): -43.2445 -43.2445 -43.2169 -43.2169 -20.8059 -20.8059 -20.5462 -20.5462 -19.5436 -19.5436 -19.2470 -19.2470 -19.0102 -19.0102 -18.8668 -18.8668 5.2147 5.2147 5.3633 5.3633 5.4721 5.4721 5.7918 5.7918 7.9611 7.9611 8.2942 8.2942 8.6477 8.6477 8.7233 8.7233 9.0047 9.0047 9.1188 9.1188 10.8786 10.8786 11.4920 11.4920 13.2379 13.2379 14.3404 14.3404 14.5393 14.5393 15.0018 15.0018 15.3423 15.3423 16.2242 16.2242 k = 0.0000 0.2337 0.5644 ( 4490 PWs) bands (ev): -43.2330 -43.2330 -43.2052 -43.2052 -20.8413 -20.8413 -20.5786 -20.5786 -19.5345 -19.5345 -19.2351 -19.2351 -19.0096 -19.0096 -18.8682 -18.8682 5.2472 5.2472 5.3136 5.3136 5.4886 5.4886 5.7022 5.7022 7.9709 7.9709 8.3016 8.3016 8.6428 8.6428 8.6936 8.6936 8.9508 8.9508 9.1260 9.1260 10.9049 10.9049 11.5958 11.5958 13.1950 13.1950 14.3945 14.3945 14.5527 14.5527 15.0249 15.0249 15.3571 15.3571 16.2212 16.2212 k = 0.0000 0.2483 0.5644 ( 4490 PWs) bands (ev): -43.2209 -43.2209 -43.1930 -43.1930 -20.8768 -20.8768 -20.6123 -20.6123 -19.5252 -19.5252 -19.2246 -19.2246 -19.0087 -19.0087 -18.8695 -18.8695 5.2379 5.2379 5.2976 5.2976 5.5159 5.5159 5.6157 5.6157 7.9819 7.9819 8.3044 8.3044 8.6058 8.6058 8.6936 8.6936 8.8940 8.8940 9.1332 9.1332 10.9310 10.9310 11.7006 11.7006 13.1510 13.1510 14.4519 14.4519 14.5669 14.5669 15.0543 15.0543 15.3778 15.3778 16.2190 16.2190 k = 0.0000 0.2629 0.5644 ( 4490 PWs) bands (ev): -43.2084 -43.2084 -43.1803 -43.1803 -20.9125 -20.9125 -20.6471 -20.6471 -19.5160 -19.5160 -19.2156 -19.2156 -19.0074 -19.0074 -18.8708 -18.8708 5.1774 5.1774 5.3311 5.3311 5.5221 5.5221 5.5588 5.5588 7.9934 7.9934 8.2979 8.2979 8.5635 8.5635 8.6977 8.6977 8.8389 8.8389 9.1402 9.1402 10.9572 10.9572 11.8058 11.8058 13.1059 13.1059 14.5104 14.5104 14.5821 14.5821 15.0887 15.0887 15.4059 15.4059 16.2183 16.2183 k = 0.0000 0.2775 0.5644 ( 4490 PWs) bands (ev): -43.1954 -43.1954 -43.1671 -43.1671 -20.9481 -20.9481 -20.6826 -20.6826 -19.5070 -19.5070 -19.2080 -19.2080 -19.0056 -19.0056 -18.8721 -18.8721 5.1135 5.1135 5.3612 5.3612 5.4552 5.4552 5.5891 5.5891 8.0047 8.0047 8.2752 8.2752 8.5315 8.5315 8.6847 8.6847 8.7992 8.7992 9.1468 9.1468 10.9840 10.9840 11.9111 11.9111 13.0601 13.0601 14.5676 14.5676 14.5991 14.5991 15.1261 15.1261 15.4433 15.4433 16.2199 16.2199 k = 0.0000 0.2921 0.5644 ( 4483 PWs) bands (ev): -43.1819 -43.1819 -43.1535 -43.1535 -20.9836 -20.9836 -20.7189 -20.7189 -19.4981 -19.4981 -19.2020 -19.2020 -19.0035 -19.0035 -18.8732 -18.8732 5.0499 5.0499 5.3374 5.3374 5.4423 5.4423 5.6271 5.6271 8.0144 8.0144 8.2321 8.2321 8.5161 8.5161 8.6400 8.6400 8.7891 8.7891 9.1527 9.1527 11.0119 11.0119 12.0159 12.0159 13.0138 13.0138 14.6097 14.6097 14.6298 14.6298 15.1638 15.1638 15.4917 15.4917 16.2248 16.2248 k = 0.0000 0.3067 0.5644 ( 4481 PWs) bands (ev): -43.1681 -43.1681 -43.1396 -43.1396 -21.0190 -21.0190 -20.7558 -20.7558 -19.4896 -19.4896 -19.1974 -19.1974 -19.0010 -19.0010 -18.8742 -18.8742 4.9878 4.9878 5.2682 5.2682 5.4795 5.4795 5.6675 5.6675 8.0195 8.0195 8.1723 8.1723 8.5155 8.5155 8.5773 8.5773 8.7965 8.7965 9.1577 9.1577 11.0411 11.0411 12.1201 12.1201 12.9674 12.9674 14.6296 14.6296 14.6801 14.6801 15.1994 15.1994 15.5523 15.5523 16.2341 16.2341 k = 0.0000 0.3213 0.5644 ( 4477 PWs) bands (ev): -43.1539 -43.1539 -43.1253 -43.1253 -21.0541 -21.0541 -20.7930 -20.7930 -19.4815 -19.4815 -19.1942 -19.1942 -18.9982 -18.9982 -18.8752 -18.8752 4.9275 4.9275 5.1952 5.1952 5.5254 5.5254 5.7102 5.7102 8.0121 8.0121 8.1068 8.1068 8.5072 8.5072 8.5284 8.5284 8.8095 8.8095 9.1617 9.1617 11.0720 11.0720 12.2233 12.2233 12.9211 12.9211 14.6482 14.6482 14.7282 14.7282 15.2312 15.2312 15.6245 15.6245 16.2490 16.2490 k = 0.0000 0.3359 0.5644 ( 4477 PWs) bands (ev): -43.1394 -43.1394 -43.1107 -43.1107 -21.0889 -21.0889 -20.8305 -20.8305 -19.4738 -19.4738 -19.1922 -19.1922 -18.9952 -18.9952 -18.8760 -18.8760 4.8696 4.8696 5.1241 5.1241 5.5747 5.5747 5.7548 5.7548 7.9701 7.9701 8.0574 8.0574 8.4468 8.4468 8.5422 8.5422 8.8241 8.8241 9.1643 9.1643 11.1048 11.1048 12.3254 12.3254 12.8753 12.8753 14.6674 14.6674 14.7717 14.7717 15.2585 15.2585 15.7064 15.7064 16.2710 16.2710 k = 0.0000 0.3505 0.5644 ( 4479 PWs) bands (ev): -43.1247 -43.1247 -43.0958 -43.0958 -21.1233 -21.1233 -20.8681 -20.8681 -19.4665 -19.4665 -19.1914 -19.1914 -18.9921 -18.9921 -18.8767 -18.8767 4.8144 4.8144 5.0561 5.0561 5.6262 5.6262 5.8013 5.8013 7.8916 7.8916 8.0228 8.0228 8.3969 8.3969 8.5615 8.5615 8.8389 8.8389 9.1655 9.1655 11.1396 11.1396 12.4262 12.4262 12.8302 12.8302 14.6873 14.6873 14.8103 14.8103 15.2813 15.2813 15.7947 15.7947 16.2998 16.2998 k = 0.0000 0.3651 0.5644 ( 4477 PWs) bands (ev): -43.1098 -43.1098 -43.0808 -43.0808 -21.1572 -21.1572 -20.9058 -20.9058 -19.4596 -19.4596 -19.1916 -19.1916 -18.9890 -18.9890 -18.8773 -18.8773 4.7620 4.7620 4.9917 4.9917 5.6797 5.6797 5.8496 5.8496 7.7992 7.7992 7.9766 7.9766 8.3653 8.3653 8.5835 8.5835 8.8530 8.8530 9.1650 9.1650 11.1765 11.1765 12.5257 12.5257 12.7863 12.7863 14.7079 14.7079 14.8440 14.8440 15.2994 15.2994 15.8860 15.8860 16.2568 16.2568 k = 0.0000 0.3797 0.5644 ( 4474 PWs) bands (ev): -43.0947 -43.0947 -43.0656 -43.0656 -21.1906 -21.1906 -20.9434 -20.9434 -19.4533 -19.4533 -19.1926 -19.1926 -18.9860 -18.9860 -18.8778 -18.8778 4.7127 4.7127 4.9310 4.9310 5.7349 5.7349 5.8997 5.8997 7.7005 7.7005 7.9119 7.9119 8.3527 8.3527 8.6072 8.6072 8.8661 8.8661 9.1628 9.1628 11.2156 11.2156 12.6235 12.6235 12.7440 12.7440 14.7292 14.7292 14.8728 14.8728 15.3127 15.3127 15.9763 15.9763 16.1696 16.1696 k = 0.0000 0.3943 0.5644 ( 4472 PWs) bands (ev): -43.0795 -43.0795 -43.0503 -43.0503 -21.2234 -21.2234 -20.9808 -20.9808 -19.4474 -19.4474 -19.1945 -19.1945 -18.9831 -18.9831 -18.8782 -18.8782 4.6668 4.6668 4.8742 4.8742 5.7918 5.7918 5.9516 5.9516 7.5980 7.5980 7.8317 7.8317 8.3549 8.3549 8.6322 8.6322 8.8778 8.8778 9.1586 9.1586 11.2568 11.2568 12.6992 12.6992 12.7242 12.7242 14.7510 14.7510 14.8971 14.8971 15.3213 15.3213 16.0549 16.0549 16.0927 16.0927 k = 0.0000 0.4089 0.5644 ( 4479 PWs) bands (ev): -43.0642 -43.0642 -43.0350 -43.0350 -21.2555 -21.2555 -21.0180 -21.0180 -19.4420 -19.4420 -19.1971 -19.1971 -18.9804 -18.9804 -18.8786 -18.8786 4.6244 4.6244 4.8216 4.8216 5.8501 5.8501 6.0051 6.0051 7.4927 7.4927 7.7411 7.7411 8.3668 8.3668 8.6581 8.6581 8.8876 8.8876 9.1523 9.1523 11.3003 11.3003 12.6632 12.6632 12.8164 12.8164 14.7734 14.7734 14.9171 14.9171 15.3251 15.3251 15.9968 15.9968 16.1505 16.1505 k = 0.0000 0.4235 0.5644 ( 4473 PWs) bands (ev): -43.0489 -43.0489 -43.0197 -43.0197 -21.2868 -21.2868 -21.0549 -21.0549 -19.4370 -19.4370 -19.2002 -19.2002 -18.9780 -18.9780 -18.8789 -18.8789 4.5855 4.5855 4.7732 4.7732 5.9099 5.9099 6.0602 6.0602 7.3855 7.3855 7.6437 7.6437 8.3848 8.3848 8.6846 8.6846 8.8953 8.8953 9.1439 9.1439 11.3460 11.3460 12.6270 12.6270 12.9097 12.9097 14.7962 14.7962 14.9333 14.9333 15.3244 15.3244 15.9176 15.9176 16.2278 16.2278 k = 0.0000 0.4381 0.5644 ( 4472 PWs) bands (ev): -43.0337 -43.0337 -43.0044 -43.0044 -21.3174 -21.3174 -21.0913 -21.0913 -19.4325 -19.4325 -19.2037 -19.2037 -18.9758 -18.9758 -18.8792 -18.8792 4.5505 4.5505 4.7290 4.7290 5.9710 5.9710 6.1170 6.1170 7.2767 7.2767 7.5419 7.5419 8.4067 8.4067 8.7113 8.7113 8.9007 8.9007 9.1333 9.1333 11.3938 11.3938 12.5932 12.5932 13.0012 13.0012 14.8192 14.8192 14.9458 14.9458 15.3194 15.3194 15.8412 15.8412 16.3016 16.3016 k = 0.0000 0.4527 0.5644 ( 4475 PWs) bands (ev): -43.0185 -43.0185 -42.9892 -42.9892 -21.3470 -21.3470 -21.1272 -21.1272 -19.4284 -19.4284 -19.2077 -19.2077 -18.9739 -18.9739 -18.8794 -18.8794 4.5192 4.5192 4.6893 4.6893 6.0333 6.0333 6.1753 6.1753 7.1669 7.1669 7.4372 7.4372 8.4310 8.4310 8.7380 8.7380 8.9034 8.9034 9.1206 9.1206 11.4436 11.4436 12.5622 12.5622 13.0909 13.0909 14.8420 14.8420 14.9550 14.9550 15.3107 15.3107 15.7684 15.7684 16.3721 16.3721 k = 0.0000 0.4673 0.5644 ( 4471 PWs) bands (ev): -43.0035 -43.0035 -42.9742 -42.9742 -21.3758 -21.3758 -21.1625 -21.1625 -19.4246 -19.4246 -19.2120 -19.2120 -18.9722 -18.9722 -18.8797 -18.8797 4.4919 4.4919 4.6540 4.6540 6.0967 6.0967 6.2351 6.2351 7.0564 7.0564 7.3308 7.3308 8.4567 8.4567 8.7642 8.7642 8.9036 8.9036 9.1058 9.1058 11.4955 11.4955 12.5344 12.5344 13.1784 13.1784 14.8643 14.8643 14.9609 14.9609 15.2989 15.2989 15.6997 15.6997 16.4392 16.4392 k = 0.0000 0.4819 0.5644 ( 4472 PWs) bands (ev): -42.9886 -42.9886 -42.9594 -42.9594 -21.4035 -21.4035 -21.1971 -21.1971 -19.4212 -19.4212 -19.2165 -19.2165 -18.9708 -18.9708 -18.8801 -18.8801 4.4685 4.4685 4.6233 4.6233 6.1612 6.1612 6.2963 6.2963 6.9456 6.9456 7.2233 7.2233 8.4833 8.4833 8.7890 8.7890 8.9013 8.9013 9.0890 9.0890 11.5493 11.5493 12.5100 12.5100 13.2634 13.2634 14.8855 14.8855 14.9636 14.9636 15.2848 15.2848 15.6356 15.6356 16.5027 16.5027 k = 0.0000 0.4965 0.5644 ( 4467 PWs) bands (ev): -42.9740 -42.9740 -42.9448 -42.9448 -21.4302 -21.4302 -21.2310 -21.2310 -19.4182 -19.4182 -19.2213 -19.2213 -18.9697 -18.9697 -18.8805 -18.8805 4.4492 4.4492 4.5970 4.5970 6.2265 6.2265 6.3590 6.3590 6.8348 6.8348 7.1153 7.1153 8.5103 8.5103 8.8107 8.8107 8.8979 8.8979 9.0707 9.0707 11.6049 11.6049 12.4890 12.4890 13.3456 13.3456 14.9048 14.9048 14.9630 14.9630 15.2693 15.2693 15.5770 15.5770 16.5614 16.5614 k = 0.0000 0.5111 0.5644 ( 4466 PWs) bands (ev): -42.9597 -42.9597 -42.9306 -42.9306 -21.4558 -21.4558 -21.2641 -21.2641 -19.4154 -19.4154 -19.2261 -19.2261 -18.9688 -18.9688 -18.8809 -18.8809 4.4339 4.4339 4.5753 4.5753 6.2926 6.2926 6.4228 6.4228 6.7245 6.7245 7.0073 7.0073 8.5370 8.5370 8.8251 8.8251 8.8969 8.8969 9.0513 9.0513 11.6623 11.6623 12.4717 12.4717 13.4246 13.4246 14.9210 14.9210 14.9586 14.9586 15.2536 15.2536 15.5248 15.5248 16.6141 16.6141 k = 0.0000 0.5257 0.5644 ( 4470 PWs) bands (ev): -42.9458 -42.9458 -42.9166 -42.9166 -21.4803 -21.4803 -21.2964 -21.2964 -19.4129 -19.4129 -19.2311 -19.2311 -18.9681 -18.9681 -18.8815 -18.8815 4.4227 4.4227 4.5582 4.5582 6.3593 6.3593 6.4876 6.4876 6.6152 6.6152 6.8997 6.8997 8.5630 8.5630 8.8262 8.8262 8.9031 8.9031 9.0318 9.0318 11.7212 11.7212 12.4580 12.4580 13.4999 13.4999 14.9320 14.9320 14.9502 14.9502 15.2394 15.2394 15.4802 15.4802 16.6593 16.6593 k = 0.0000 0.5404 0.5644 ( 4470 PWs) bands (ev): -42.9322 -42.9322 -42.9031 -42.9031 -21.5035 -21.5035 -21.3276 -21.3276 -19.4107 -19.4107 -19.2361 -19.2361 -18.9676 -18.9676 -18.8821 -18.8821 4.4155 4.4155 4.5456 4.5456 6.4251 6.4251 6.5042 6.5042 6.5574 6.5574 6.7929 6.7929 8.5876 8.5876 8.8142 8.8142 8.9144 8.9144 9.0146 9.0146 11.7817 11.7817 12.4480 12.4480 13.5710 13.5710 14.9297 14.9297 14.9437 14.9437 15.2282 15.2282 15.4447 15.4447 16.6956 16.6956 k = 0.0000 0.5550 0.5644 ( 4465 PWs) bands (ev): -42.9190 -42.9190 -42.8900 -42.8900 -21.5255 -21.5255 -21.3579 -21.3579 -19.4087 -19.4087 -19.2411 -19.2411 -18.9672 -18.9672 -18.8827 -18.8827 4.4124 4.4124 4.5377 4.5377 6.3937 6.3937 6.4967 6.4967 6.6230 6.6230 6.6876 6.6876 8.6095 8.6095 8.7946 8.7946 8.9209 8.9209 9.0049 9.0049 11.8435 11.8435 12.4417 12.4417 13.6373 13.6373 14.9096 14.9096 14.9407 14.9407 15.2220 15.2220 15.4197 15.4197 16.7222 16.7222 k = 0.0000 0.5696 0.5644 ( 4472 PWs) bands (ev): -42.9064 -42.9064 -42.8775 -42.8775 -21.5461 -21.5461 -21.3871 -21.3871 -19.4069 -19.4069 -19.2461 -19.2461 -18.9671 -18.9671 -18.8835 -18.8835 4.4134 4.4134 4.5342 4.5342 6.2881 6.2881 6.5574 6.5574 6.5885 6.5885 6.6923 6.6923 8.6261 8.6261 8.7723 8.7723 8.9139 8.9139 9.0090 9.0090 11.9066 11.9066 12.4390 12.4390 13.6984 13.6984 14.8806 14.8806 14.9311 14.9311 15.2219 15.2219 15.4058 15.4058 16.7391 16.7391 k = 0.0000 0.5842 0.5644 ( 4464 PWs) bands (ev): -42.8942 -42.8942 -42.8654 -42.8654 -21.5655 -21.5655 -21.4152 -21.4152 -19.4052 -19.4052 -19.2510 -19.2510 -18.9670 -18.9670 -18.8843 -18.8843 4.4183 4.4183 4.5354 4.5354 6.1830 6.1830 6.4766 6.4766 6.6341 6.6341 6.7619 6.7619 8.6321 8.6321 8.7535 8.7535 8.8954 8.8954 9.0240 9.0240 11.9705 11.9705 12.4397 12.4397 13.7536 13.7536 14.8438 14.8438 14.9138 14.9138 15.2286 15.2286 15.4026 15.4026 16.7472 16.7472 k = 0.0000 0.5988 0.5644 ( 4461 PWs) bands (ev): -42.8826 -42.8826 -42.8539 -42.8539 -21.5834 -21.5834 -21.4421 -21.4421 -19.4037 -19.4037 -19.2558 -19.2558 -18.9670 -18.9670 -18.8851 -18.8851 4.4272 4.4272 4.5410 4.5410 6.0794 6.0794 6.3755 6.3755 6.7018 6.7018 6.8326 6.8326 8.6200 8.6200 8.7453 8.7453 8.8719 8.8719 9.0434 9.0434 12.0353 12.0353 12.4437 12.4437 13.8026 13.8026 14.8000 14.8000 14.8899 14.8899 15.2421 15.2421 15.4087 15.4087 16.7480 16.7480 k = 0.0000 0.6134 0.5644 ( 4467 PWs) bands (ev): -42.8717 -42.8717 -42.8431 -42.8431 -21.5998 -21.5998 -21.4677 -21.4677 -19.4024 -19.4024 -19.2605 -19.2605 -18.9672 -18.9672 -18.8860 -18.8860 4.4399 4.4399 4.5510 4.5510 5.9777 5.9777 6.2758 6.2758 6.7695 6.7695 6.9042 6.9042 8.5899 8.5899 8.7460 8.7460 8.8484 8.8484 9.0642 9.0642 12.1005 12.1005 12.4507 12.4507 13.8450 13.8450 14.7502 14.7502 14.8612 14.8612 15.2621 15.2621 15.4221 15.4221 16.7435 16.7435 k = 0.0000 0.6280 0.5644 ( 4473 PWs) bands (ev): -42.8614 -42.8614 -42.8328 -42.8328 -21.6148 -21.6148 -21.4921 -21.4921 -19.4011 -19.4011 -19.2649 -19.2649 -18.9674 -18.9674 -18.8869 -18.8869 4.4564 4.4564 4.5653 4.5653 5.8781 5.8781 6.1781 6.1781 6.8369 6.8369 6.9766 6.9766 8.5482 8.5482 8.7440 8.7440 8.8314 8.8314 9.0850 9.0850 12.1658 12.1658 12.4604 12.4604 13.8807 13.8807 14.6954 14.6954 14.8293 14.8293 15.2878 15.2878 15.4406 15.4406 16.7350 16.7350 k = 0.0000 0.6426 0.5644 ( 4475 PWs) bands (ev): -42.8517 -42.8517 -42.8233 -42.8233 -21.6283 -21.6283 -21.5151 -21.5151 -19.4000 -19.4000 -19.2692 -19.2692 -18.9677 -18.9677 -18.8878 -18.8878 4.4767 4.4767 4.5839 4.5839 5.7810 5.7810 6.0827 6.0827 6.9034 6.9034 7.0498 7.0498 8.4997 8.4997 8.7284 8.7284 8.8281 8.8281 9.1052 9.1052 12.2306 12.2306 12.4728 12.4728 13.9097 13.9097 14.6367 14.6367 14.7956 14.7956 15.3187 15.3187 15.4625 15.4625 16.7222 16.7222 k = 0.0000 0.6572 0.5644 ( 4477 PWs) bands (ev): -42.8428 -42.8428 -42.8145 -42.8145 -21.6403 -21.6403 -21.5367 -21.5367 -19.3990 -19.3990 -19.2732 -19.2732 -18.9680 -18.9680 -18.8886 -18.8886 4.5005 4.5005 4.6066 4.6066 5.6865 5.6865 5.9898 5.9898 6.9686 6.9686 7.1235 7.1235 8.4465 8.4465 8.7004 8.7004 8.8357 8.8357 9.1244 9.1244 12.2944 12.2944 12.4876 12.4876 13.9321 13.9321 14.5755 14.5755 14.7611 14.7611 15.3537 15.3537 15.4861 15.4861 16.6948 16.6948 k = 0.0000 0.6718 0.5644 ( 4482 PWs) bands (ev): -42.8347 -42.8347 -42.8064 -42.8064 -21.6506 -21.6506 -21.5569 -21.5569 -19.3981 -19.3981 -19.2769 -19.2769 -18.9684 -18.9684 -18.8894 -18.8894 4.5277 4.5277 4.6331 4.6331 5.5951 5.5951 5.8997 5.8997 7.0322 7.0322 7.1976 7.1976 8.3900 8.3900 8.6658 8.6658 8.8479 8.8479 9.1422 9.1422 12.3561 12.3561 12.5049 12.5049 13.9482 13.9482 14.5130 14.5130 14.7268 14.7268 15.3917 15.3917 15.5102 15.5102 16.6500 16.6501 k = 0.0000 0.6864 0.5644 ( 4482 PWs) bands (ev): -42.8273 -42.8273 -42.7992 -42.7992 -21.6594 -21.6594 -21.5756 -21.5756 -19.3973 -19.3973 -19.2803 -19.2803 -18.9688 -18.9688 -18.8901 -18.8901 4.5580 4.5580 4.6633 4.6633 5.5070 5.5070 5.8126 5.8126 7.0936 7.0936 7.2722 7.2722 8.3309 8.3309 8.6282 8.6282 8.8611 8.8611 9.1587 9.1587 12.4140 12.4140 12.5252 12.5252 13.9582 13.9582 14.4510 14.4510 14.6930 14.6930 15.4317 15.4317 15.5335 15.5335 16.6050 16.6050 k = 0.0000 0.7010 0.5644 ( 4481 PWs) bands (ev): -42.8208 -42.8208 -42.7927 -42.7927 -21.6666 -21.6666 -21.5928 -21.5928 -19.3966 -19.3966 -19.2834 -19.2834 -18.9692 -18.9692 -18.8908 -18.8908 4.5911 4.5911 4.6966 4.6966 5.4230 5.4230 5.7289 5.7289 7.1520 7.1520 7.3470 7.3470 8.2697 8.2697 8.5892 8.5892 8.8739 8.8739 9.1735 9.1735 12.4652 12.4652 12.5502 12.5502 13.9622 13.9622 14.3913 14.3913 14.6603 14.6603 15.4722 15.4722 15.5548 15.5548 16.5648 16.5648 k = 0.0000 0.7156 0.5644 ( 4487 PWs) bands (ev): -42.8151 -42.8151 -42.7870 -42.7870 -21.6721 -21.6721 -21.6084 -21.6084 -19.3961 -19.3961 -19.2860 -19.2860 -18.9697 -18.9697 -18.8913 -18.8913 4.6264 4.6264 4.7326 4.7326 5.3437 5.3437 5.6491 5.6491 7.2066 7.2066 7.4218 7.4218 8.2072 8.2072 8.5501 8.5501 8.8857 8.8857 9.1866 9.1866 12.5059 12.5059 12.5821 12.5821 13.9603 13.9603 14.3360 14.3360 14.6290 14.6290 15.5119 15.5119 15.5732 15.5732 16.5311 16.5311 k = 0.0000 0.7302 0.5644 ( 4483 PWs) bands (ev): -42.8103 -42.8103 -42.7822 -42.7822 -21.6761 -21.6761 -21.6224 -21.6224 -19.3956 -19.3956 -19.2883 -19.2883 -18.9701 -18.9701 -18.8917 -18.8917 4.6628 4.6628 4.7703 4.7703 5.2707 5.2707 5.5737 5.5737 7.2563 7.2563 7.4965 7.4965 8.1439 8.1439 8.5120 8.5120 8.8961 8.8961 9.1978 9.1978 12.5356 12.5356 12.6196 12.6196 13.9528 13.9528 14.2874 14.2874 14.5992 14.5992 15.5495 15.5495 15.5875 15.5875 16.5051 16.5051 k = 0.0000 0.7448 0.5644 ( 4489 PWs) bands (ev): -42.8063 -42.8063 -42.7783 -42.7783 -21.6784 -21.6784 -21.6347 -21.6347 -19.3953 -19.3953 -19.2901 -19.2901 -18.9706 -18.9706 -18.8920 -18.8920 4.6985 4.6985 4.8085 4.8085 5.2063 5.2063 5.5038 5.5038 7.2997 7.2997 7.5707 7.5707 8.0805 8.0805 8.4762 8.4762 8.9048 8.9048 9.2070 9.2070 12.5582 12.5582 12.6569 12.6569 13.9402 13.9402 14.2474 14.2474 14.5713 14.5713 15.5831 15.5831 15.5977 15.5977 16.4876 16.4876 k = 0.0000 0.7448 0.5644 ( 4489 PWs) bands (ev): -42.8063 -42.8063 -42.7783 -42.7783 -21.6784 -21.6784 -21.6347 -21.6347 -19.3953 -19.3953 -19.2901 -19.2901 -18.9706 -18.9706 -18.8920 -18.8920 4.6985 4.6985 4.8085 4.8085 5.2063 5.2063 5.5038 5.5038 7.2997 7.2997 7.5707 7.5707 8.0805 8.0805 8.4762 8.4762 8.9048 8.9048 9.2070 9.2070 12.5582 12.5582 12.6569 12.6569 13.9402 13.9402 14.2474 14.2474 14.5713 14.5713 15.5831 15.5831 15.5977 15.5977 16.4876 16.4876 k = 0.0000 0.7519 0.5523 ( 4485 PWs) bands (ev): -42.8046 -42.8046 -42.7768 -42.7768 -21.6788 -21.6788 -21.6402 -21.6402 -19.3943 -19.3943 -19.2917 -19.2917 -18.9699 -18.9699 -18.8932 -18.8932 4.7104 4.7104 4.8303 4.8303 5.1878 5.1878 5.4700 5.4700 7.3185 7.3185 7.6028 7.6028 8.0545 8.0545 8.4560 8.4560 8.9070 8.9070 9.2103 9.2103 12.5810 12.5810 12.6761 12.6761 13.9473 13.9473 14.2315 14.2315 14.5422 14.5422 15.5878 15.5878 15.6051 15.6051 16.4679 16.4679 k = 0.0000 0.7590 0.5401 ( 4483 PWs) bands (ev): -42.8031 -42.8031 -42.7755 -42.7755 -21.6790 -21.6790 -21.6452 -21.6452 -19.3934 -19.3934 -19.2932 -19.2932 -18.9692 -18.9692 -18.8942 -18.8942 4.7204 4.7204 4.8527 4.8527 5.1710 5.1710 5.4384 5.4384 7.3348 7.3348 7.6351 7.6351 8.0281 8.0281 8.4376 8.4376 8.9089 8.9089 9.2131 9.2131 12.6012 12.6012 12.6928 12.6928 13.9552 13.9552 14.2163 14.2163 14.5159 14.5159 15.5921 15.5921 15.6118 15.6118 16.4507 16.4507 k = 0.0000 0.7661 0.5279 ( 4485 PWs) bands (ev): -42.8018 -42.8018 -42.7744 -42.7744 -21.6787 -21.6787 -21.6498 -21.6498 -19.3926 -19.3926 -19.2945 -19.2945 -18.9687 -18.9687 -18.8951 -18.8951 4.7287 4.7287 4.8749 4.8749 5.1560 5.1560 5.4094 5.4094 7.3487 7.3487 7.6673 7.6673 8.0014 8.0014 8.4216 8.4216 8.9106 8.9106 9.2154 9.2154 12.6186 12.6186 12.7070 12.7070 13.9636 13.9636 14.2022 14.2022 14.4928 14.4928 15.5959 15.5959 15.6176 15.6176 16.4361 16.4361 k = 0.0000 0.7732 0.5157 ( 4489 PWs) bands (ev): -42.8008 -42.8008 -42.7736 -42.7736 -21.6782 -21.6782 -21.6539 -21.6539 -19.3920 -19.3920 -19.2955 -19.2955 -18.9682 -18.9682 -18.8958 -18.8958 4.7354 4.7354 4.8958 4.8958 5.1430 5.1430 5.3838 5.3838 7.3600 7.3600 7.6990 7.6990 7.9745 7.9745 8.4080 8.4080 8.9119 8.9119 9.2174 9.2174 12.6328 12.6328 12.7188 12.7188 13.9719 13.9719 14.1894 14.1894 14.4732 14.4732 15.5991 15.5991 15.6225 15.6225 16.4241 16.4241 k = 0.0000 0.7803 0.5036 ( 4488 PWs) bands (ev): -42.7999 -42.7999 -42.7729 -42.7729 -21.6774 -21.6774 -21.6575 -21.6575 -19.3915 -19.3915 -19.2963 -19.2963 -18.9678 -18.9678 -18.8964 -18.8964 4.7407 4.7407 4.9145 4.9145 5.1320 5.1320 5.3622 5.3622 7.3689 7.3689 7.7296 7.7296 7.9480 7.9480 8.3972 8.3972 8.9129 8.9129 9.2189 9.2189 12.6439 12.6439 12.7282 12.7282 13.9794 13.9794 14.1784 14.1784 14.4577 14.4577 15.6017 15.6017 15.6263 15.6263 16.4147 16.4147 k = 0.0000 0.7874 0.4914 ( 4488 PWs) bands (ev): -42.7994 -42.7994 -42.7724 -42.7724 -21.6764 -21.6764 -21.6604 -21.6604 -19.3911 -19.3911 -19.2970 -19.2970 -18.9676 -18.9676 -18.8969 -18.8969 4.7445 4.7445 4.9295 4.9295 5.1235 5.1235 5.3458 5.3458 7.3752 7.3752 7.7577 7.7577 7.9229 7.9229 8.3893 8.3893 8.9136 8.9136 9.2199 9.2199 12.6518 12.6518 12.7350 12.7350 13.9856 13.9856 14.1699 14.1699 14.4463 14.4463 15.6036 15.6036 15.6291 15.6291 16.4080 16.4080 k = 0.0000 0.7945 0.4792 ( 4486 PWs) bands (ev): -42.7990 -42.7990 -42.7721 -42.7721 -21.6756 -21.6756 -21.6624 -21.6624 -19.3909 -19.3909 -19.2973 -19.2973 -18.9674 -18.9674 -18.8971 -18.8971 4.7468 4.7468 4.9394 4.9394 5.1180 5.1180 5.3354 5.3354 7.3790 7.3790 7.7800 7.7800 7.9024 7.9024 8.3845 8.3845 8.9141 8.9141 9.2206 9.2206 12.6565 12.6565 12.7392 12.7392 13.9897 13.9897 14.1644 14.1644 14.4394 14.4394 15.6047 15.6047 15.6307 15.6307 16.4039 16.4039 k = 0.0000 0.8016 0.4670 ( 4480 PWs) bands (ev): -42.7989 -42.7989 -42.7720 -42.7720 -21.6753 -21.6753 -21.6631 -21.6631 -19.3908 -19.3908 -19.2974 -19.2974 -18.9674 -18.9674 -18.8972 -18.8972 4.7476 4.7476 4.9429 4.9429 5.1161 5.1161 5.3319 5.3319 7.3803 7.3803 7.7894 7.7894 7.8936 7.8936 8.3829 8.3829 8.9142 8.9142 9.2208 9.2208 12.6580 12.6580 12.7406 12.7406 13.9911 13.9911 14.1625 14.1625 14.4371 14.4371 15.6051 15.6051 15.6313 15.6313 16.4026 16.4026 k = 0.0000 0.8016 0.4670 ( 4480 PWs) bands (ev): -42.7989 -42.7989 -42.7720 -42.7720 -21.6753 -21.6753 -21.6631 -21.6631 -19.3908 -19.3908 -19.2974 -19.2974 -18.9674 -18.9674 -18.8972 -18.8972 4.7476 4.7476 4.9429 4.9429 5.1161 5.1161 5.3319 5.3319 7.3803 7.3803 7.7894 7.7894 7.8936 7.8936 8.3829 8.3829 8.9142 8.9142 9.2208 9.2208 12.6580 12.6580 12.7406 12.7406 13.9911 13.9911 14.1625 14.1625 14.4371 14.4371 15.6051 15.6051 15.6313 15.6313 16.4026 16.4026 k = 0.0147 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7989 -42.7989 -42.7720 -42.7720 -21.6753 -21.6753 -21.6631 -21.6631 -19.3908 -19.3908 -19.2976 -19.2976 -18.9672 -18.9672 -18.8972 -18.8972 4.7478 4.7478 4.9430 4.9430 5.1160 5.1160 5.3316 5.3316 7.3806 7.3806 7.7896 7.7896 7.8933 7.8933 8.3822 8.3822 8.9149 8.9149 9.2217 9.2217 12.6563 12.6563 12.7388 12.7388 13.9921 13.9921 14.1640 14.1640 14.4393 14.4393 15.5797 15.5797 15.6593 15.6593 16.4022 16.4022 k = 0.0294 0.8016 0.4670 ( 4490 PWs) bands (ev): -42.7988 -42.7988 -42.7720 -42.7720 -21.6753 -21.6753 -21.6631 -21.6631 -19.3908 -19.3908 -19.2979 -19.2979 -18.9669 -18.9669 -18.8972 -18.8972 4.7485 4.7485 4.9432 4.9432 5.1154 5.1154 5.3307 5.3307 7.3815 7.3815 7.7902 7.7902 7.8924 7.8924 8.3802 8.3802 8.9168 8.9168 9.2242 9.2242 12.6511 12.6511 12.7334 12.7334 13.9950 13.9950 14.1684 14.1684 14.4459 14.4459 15.5472 15.5472 15.6993 15.6993 16.4010 16.4010 k = 0.0441 0.8016 0.4670 ( 4494 PWs) bands (ev): -42.7988 -42.7988 -42.7721 -42.7721 -21.6752 -21.6752 -21.6632 -21.6632 -19.3908 -19.3908 -19.2985 -19.2985 -18.9664 -18.9664 -18.8971 -18.8971 4.7497 4.7497 4.9437 4.9437 5.1146 5.1146 5.3291 5.3291 7.3829 7.3829 7.7912 7.7912 7.8909 7.8909 8.3768 8.3768 8.9200 8.9200 9.2285 9.2285 12.6425 12.6425 12.7245 12.7245 13.9999 13.9999 14.1757 14.1757 14.4568 14.4568 15.5170 15.5170 15.7422 15.7422 16.3990 16.3990 k = 0.0588 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7987 -42.7987 -42.7722 -42.7722 -21.6752 -21.6752 -21.6632 -21.6632 -19.3908 -19.3908 -19.2993 -19.2993 -18.9657 -18.9657 -18.8970 -18.8970 4.7514 4.7514 4.9443 4.9443 5.1133 5.1133 5.3269 5.3269 7.3849 7.3849 7.7926 7.7926 7.8889 7.8889 8.3721 8.3721 8.9245 8.9245 9.2344 9.2344 12.6307 12.6307 12.7123 12.7123 14.0066 14.0066 14.1857 14.1857 14.4719 14.4719 15.4896 15.4896 15.7871 15.7871 16.3964 16.3964 k = 0.0735 0.8016 0.4670 ( 4496 PWs) bands (ev): -42.7985 -42.7985 -42.7723 -42.7723 -21.6751 -21.6751 -21.6633 -21.6633 -19.3907 -19.3907 -19.3003 -19.3003 -18.9648 -18.9648 -18.8970 -18.8970 4.7536 4.7536 4.9452 4.9452 5.1118 5.1118 5.3242 5.3242 7.3875 7.3875 7.7944 7.7944 7.8862 7.8862 8.3662 8.3662 8.9302 8.9302 9.2417 9.2417 12.6158 12.6158 12.6970 12.6970 14.0153 14.0153 14.1982 14.1982 14.4910 14.4910 15.4654 15.4654 15.8336 15.8336 16.3931 16.3931 k = 0.0882 0.8016 0.4670 ( 4496 PWs) bands (ev): -42.7984 -42.7984 -42.7725 -42.7725 -21.6751 -21.6751 -21.6633 -21.6633 -19.3907 -19.3907 -19.3015 -19.3015 -18.9637 -18.9637 -18.8969 -18.8969 4.7562 4.7562 4.9462 4.9462 5.1099 5.1099 5.3208 5.3208 7.3906 7.3906 7.7965 7.7965 7.8830 7.8830 8.3591 8.3591 8.9373 8.9373 9.2504 9.2504 12.5980 12.5980 12.6788 12.6788 14.0257 14.0257 14.2130 14.2130 14.5139 14.5139 15.4446 15.4446 15.8812 15.8812 16.3894 16.3894 k = 0.1029 0.8016 0.4670 ( 4494 PWs) bands (ev): -42.7982 -42.7982 -42.7727 -42.7727 -21.6750 -21.6750 -21.6634 -21.6634 -19.3907 -19.3907 -19.3029 -19.3029 -18.9625 -18.9625 -18.8967 -18.8967 4.7593 4.7593 4.9474 4.9474 5.1076 5.1076 5.3168 5.3168 7.3943 7.3943 7.7991 7.7991 7.8793 7.8793 8.3510 8.3510 8.9455 8.9455 9.2604 9.2604 12.5775 12.5775 12.6581 12.6581 14.0380 14.0380 14.2298 14.2298 14.5404 14.5404 15.4274 15.4274 15.9297 15.9297 16.3853 16.3853 k = 0.1176 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7980 -42.7980 -42.7729 -42.7729 -21.6749 -21.6749 -21.6635 -21.6635 -19.3906 -19.3906 -19.3045 -19.3045 -18.9610 -18.9610 -18.8966 -18.8966 4.7629 4.7629 4.9488 4.9488 5.1051 5.1051 5.3123 5.3123 7.3985 7.3985 7.8020 7.8020 7.8750 7.8750 8.3419 8.3419 8.9551 8.9551 9.2714 9.2714 12.5546 12.5546 12.6350 12.6350 14.0520 14.0520 14.2484 14.2484 14.5702 14.5702 15.4138 15.4138 15.9785 15.9785 16.3809 16.3809 k = 0.1324 0.8016 0.4670 ( 4486 PWs) bands (ev): -42.7977 -42.7977 -42.7731 -42.7731 -21.6748 -21.6748 -21.6636 -21.6636 -19.3905 -19.3905 -19.3063 -19.3063 -18.9595 -18.9595 -18.8965 -18.8965 4.7669 4.7669 4.9504 4.9504 5.1022 5.1022 5.3072 5.3072 7.4032 7.4032 7.8052 7.8052 7.8702 7.8702 8.3320 8.3320 8.9658 8.9658 9.2834 9.2834 12.5296 12.5296 12.6100 12.6100 14.0676 14.0676 14.2683 14.2683 14.6032 14.6032 15.4041 15.4041 16.0271 16.0271 16.3765 16.3765 k = 0.1471 0.8016 0.4670 ( 4482 PWs) bands (ev): -42.7975 -42.7975 -42.7734 -42.7734 -21.6746 -21.6746 -21.6638 -21.6638 -19.3904 -19.3904 -19.3083 -19.3083 -18.9578 -18.9578 -18.8964 -18.8964 4.7714 4.7714 4.9522 4.9522 5.0990 5.0990 5.3016 5.3016 7.4084 7.4084 7.8088 7.8088 7.8650 7.8650 8.3213 8.3213 8.9777 8.9777 9.2961 9.2961 12.5026 12.5026 12.5833 12.5833 14.0847 14.0847 14.2893 14.2893 14.6390 14.6390 15.3984 15.3984 16.0752 16.0752 16.3723 16.3723 k = 0.1618 0.8016 0.4670 ( 4480 PWs) bands (ev): -42.7972 -42.7972 -42.7737 -42.7737 -21.6745 -21.6745 -21.6639 -21.6639 -19.3903 -19.3903 -19.3104 -19.3104 -18.9559 -18.9559 -18.8963 -18.8963 4.7762 4.7762 4.9542 4.9542 5.0956 5.0956 5.2955 5.2955 7.4141 7.4141 7.8127 7.8127 7.8594 7.8594 8.3099 8.3099 8.9907 8.9907 9.3094 9.3094 12.4741 12.4741 12.5551 12.5551 14.1032 14.1032 14.3110 14.3110 14.6774 14.6774 15.3968 15.3968 16.1220 16.1220 16.3683 16.3683 k = 0.1765 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7969 -42.7969 -42.7740 -42.7740 -21.6744 -21.6744 -21.6640 -21.6640 -19.3901 -19.3901 -19.3126 -19.3126 -18.9540 -18.9540 -18.8962 -18.8962 4.7815 4.7815 4.9564 4.9564 5.0918 5.0918 5.2888 5.2888 7.4203 7.4203 7.8168 7.8168 7.8535 7.8535 8.2979 8.2979 9.0049 9.0049 9.3232 9.3232 12.4443 12.4443 12.5259 12.5259 14.1231 14.1231 14.3331 14.3331 14.7183 14.7183 15.3996 15.3996 16.1670 16.1670 16.3648 16.3648 k = 0.1912 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7965 -42.7965 -42.7743 -42.7743 -21.6742 -21.6742 -21.6642 -21.6642 -19.3899 -19.3899 -19.3149 -19.3149 -18.9519 -18.9519 -18.8961 -18.8961 4.7872 4.7872 4.9589 4.9589 5.0878 5.0878 5.2817 5.2817 7.4270 7.4270 7.8208 7.8208 7.8475 7.8475 8.2854 8.2854 9.0201 9.0201 9.3371 9.3371 12.4135 12.4135 12.4957 12.4957 14.1441 14.1441 14.3552 14.3552 14.7614 14.7614 15.4069 15.4069 16.2096 16.2096 16.3621 16.3621 k = 0.2059 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7962 -42.7962 -42.7747 -42.7747 -21.6741 -21.6741 -21.6644 -21.6644 -19.3896 -19.3896 -19.3174 -19.3174 -18.9498 -18.9498 -18.8960 -18.8960 4.7933 4.7933 4.9615 4.9615 5.0835 5.0835 5.2741 5.2741 7.4341 7.4341 7.8239 7.8239 7.8424 7.8424 8.2725 8.2725 9.0363 9.0363 9.3511 9.3511 12.3820 12.3820 12.4650 12.4650 14.1661 14.1661 14.3769 14.3769 14.8066 14.8066 15.4188 15.4188 16.2491 16.2491 16.3605 16.3605 k = 0.2206 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7958 -42.7958 -42.7751 -42.7751 -21.6739 -21.6739 -21.6645 -21.6645 -19.3893 -19.3893 -19.3199 -19.3199 -18.9476 -18.9476 -18.8960 -18.8960 4.7998 4.7998 4.9644 4.9644 5.0790 5.0790 5.2661 5.2661 7.4416 7.4416 7.8237 7.8237 7.8406 7.8406 8.2592 8.2592 9.0534 9.0534 9.3651 9.3651 12.3500 12.3500 12.4338 12.4338 14.1889 14.1889 14.3980 14.3980 14.8536 14.8536 15.4354 15.4354 16.2847 16.2847 16.3604 16.3604 k = 0.2353 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7954 -42.7954 -42.7755 -42.7755 -21.6737 -21.6737 -21.6647 -21.6647 -19.3890 -19.3890 -19.3225 -19.3225 -18.9453 -18.9453 -18.8960 -18.8960 4.8066 4.8066 4.9675 4.9675 5.0742 5.0742 5.2577 5.2577 7.4495 7.4495 7.8188 7.8188 7.8435 7.8435 8.2456 8.2456 9.0714 9.0714 9.3787 9.3787 12.3180 12.3180 12.4025 12.4025 14.2123 14.2123 14.4182 14.4182 14.9024 14.9024 15.4568 15.4568 16.3151 16.3151 16.3628 16.3628 k = 0.2500 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7949 -42.7949 -42.7759 -42.7759 -21.6735 -21.6735 -21.6649 -21.6649 -19.3885 -19.3885 -19.3252 -19.3252 -18.9430 -18.9430 -18.8960 -18.8960 4.8137 4.8137 4.9709 4.9709 5.0692 5.0692 5.2489 5.2489 7.4578 7.4578 7.8116 7.8116 7.8486 7.8486 8.2319 8.2319 9.0902 9.0902 9.3919 9.3919 12.2862 12.2862 12.3712 12.3712 14.2362 14.2362 14.4373 14.4373 14.9527 14.9527 15.4829 15.4829 16.3377 16.3377 16.3702 16.3702 k = 0.2647 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7945 -42.7945 -42.7763 -42.7763 -21.6733 -21.6733 -21.6651 -21.6651 -19.3881 -19.3881 -19.3279 -19.3279 -18.9407 -18.9407 -18.8961 -18.8961 4.8211 4.8211 4.9746 4.9746 5.0641 5.0641 5.2398 5.2398 7.4665 7.4665 7.8035 7.8035 7.8546 7.8546 8.2179 8.2179 9.1097 9.1097 9.4044 9.4044 12.2549 12.2549 12.3400 12.3400 14.2604 14.2604 14.4550 14.4550 15.0045 15.0045 15.5136 15.5136 16.3504 16.3504 16.3843 16.3843 k = 0.2794 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7940 -42.7940 -42.7768 -42.7768 -21.6731 -21.6731 -21.6653 -21.6653 -19.3875 -19.3875 -19.3307 -19.3307 -18.9383 -18.9383 -18.8962 -18.8962 4.8288 4.8288 4.9785 4.9785 5.0586 5.0586 5.2303 5.2303 7.4755 7.4755 7.7947 7.7947 7.8613 7.8613 8.2039 8.2039 9.1298 9.1298 9.4162 9.4162 12.2243 12.2243 12.3093 12.3093 14.2846 14.2846 14.4713 14.4713 15.0576 15.0576 15.5489 15.5489 16.3583 16.3583 16.4001 16.4001 k = 0.2941 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7935 -42.7935 -42.7773 -42.7773 -21.6729 -21.6729 -21.6656 -21.6656 -19.3869 -19.3869 -19.3335 -19.3335 -18.9360 -18.9360 -18.8964 -18.8964 4.8368 4.8368 4.9826 4.9826 5.0531 5.0531 5.2206 5.2206 7.4848 7.4848 7.7856 7.7856 7.8684 7.8684 8.1898 8.1898 9.1504 9.1504 9.4270 9.4270 12.1948 12.1948 12.2791 12.2791 14.3087 14.3087 14.4861 14.4861 15.1120 15.1120 15.5885 15.5885 16.3657 16.3657 16.4130 16.4130 k = 0.3088 0.8016 0.4670 ( 4482 PWs) bands (ev): -42.7930 -42.7930 -42.7778 -42.7778 -21.6727 -21.6727 -21.6658 -21.6658 -19.3862 -19.3862 -19.3362 -19.3362 -18.9336 -18.9336 -18.8967 -18.8967 4.8449 4.8449 4.9871 4.9871 5.0473 5.0473 5.2106 5.2106 7.4944 7.4944 7.7762 7.7762 7.8759 7.8759 8.1756 8.1756 9.1713 9.1713 9.4368 9.4368 12.1666 12.1666 12.2495 12.2495 14.3324 14.3324 14.4993 14.4993 15.1674 15.1674 15.6322 15.6322 16.3741 16.3741 16.4215 16.4215 k = 0.3235 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7925 -42.7925 -42.7783 -42.7783 -21.6724 -21.6724 -21.6660 -21.6660 -19.3854 -19.3854 -19.3390 -19.3390 -18.9313 -18.9313 -18.8970 -18.8970 4.8533 4.8533 4.9919 4.9919 5.0413 5.0413 5.2005 5.2005 7.5043 7.5043 7.7664 7.7664 7.8838 7.8838 8.1615 8.1615 9.1926 9.1926 9.4453 9.4453 12.1399 12.1399 12.2209 12.2209 14.3555 14.3555 14.5109 14.5109 15.2239 15.2239 15.6794 15.6794 16.3836 16.3836 16.4252 16.4252 k = 0.3382 0.8016 0.4670 ( 4484 PWs) bands (ev): -42.7920 -42.7920 -42.7789 -42.7789 -21.6722 -21.6722 -21.6663 -21.6663 -19.3845 -19.3845 -19.3418 -19.3418 -18.9290 -18.9290 -18.8974 -18.8974 4.8619 4.8619 4.9970 4.9970 5.0352 5.0352 5.1901 5.1901 7.5144 7.5144 7.7564 7.7564 7.8920 7.8920 8.1475 8.1475 9.2140 9.2140 9.4524 9.4524 12.1150 12.1150 12.1933 12.1933 14.3779 14.3779 14.5210 14.5210 15.2813 15.2813 15.7298 15.7298 16.3941 16.3941 16.4243 16.4243 k = 0.3529 0.8016 0.4670 ( 4494 PWs) bands (ev): -42.7914 -42.7914 -42.7794 -42.7794 -21.6719 -21.6719 -21.6665 -21.6665 -19.3836 -19.3836 -19.3445 -19.3445 -18.9267 -18.9267 -18.8979 -18.8979 4.8705 4.8705 5.0023 5.0023 5.0289 5.0289 5.1797 5.1797 7.5247 7.5247 7.7461 7.7461 7.9006 7.9006 8.1335 8.1335 9.2354 9.2354 9.4581 9.4581 12.0921 12.0921 12.1669 12.1669 14.3993 14.3993 14.5296 14.5296 15.3396 15.3396 15.7826 15.7826 16.4025 16.4025 16.4218 16.4218 k = 0.3676 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7908 -42.7908 -42.7800 -42.7800 -21.6717 -21.6717 -21.6668 -21.6668 -19.3825 -19.3825 -19.3472 -19.3472 -18.9245 -18.9245 -18.8985 -18.8985 4.8793 4.8793 5.0081 5.0081 5.0225 5.0225 5.1691 5.1691 7.5353 7.5353 7.7357 7.7357 7.9095 7.9095 8.1197 8.1197 9.2567 9.2567 9.4622 9.4622 12.0714 12.0714 12.1419 12.1419 14.4197 14.4197 14.5367 14.5367 15.3985 15.3985 15.8370 15.8370 16.3982 16.3982 16.4284 16.4284 k = 0.3824 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7903 -42.7903 -42.7805 -42.7805 -21.6714 -21.6714 -21.6670 -21.6670 -19.3814 -19.3814 -19.3499 -19.3499 -18.9224 -18.9224 -18.8991 -18.8991 4.8881 4.8881 5.0134 5.0134 5.0166 5.0166 5.1585 5.1585 7.5460 7.5460 7.7251 7.7251 7.9187 7.9187 8.1060 8.1060 9.2777 9.2777 9.4645 9.4645 12.0530 12.0530 12.1183 12.1183 14.4388 14.4388 14.5425 14.5425 15.4580 15.4580 15.8917 15.8917 16.3836 16.3836 16.4422 16.4422 k = 0.3971 0.8016 0.4670 ( 4494 PWs) bands (ev): -42.7897 -42.7897 -42.7811 -42.7811 -21.6712 -21.6712 -21.6673 -21.6673 -19.3801 -19.3801 -19.3525 -19.3525 -18.9203 -18.9203 -18.8999 -18.8999 4.8969 4.8969 5.0088 5.0088 5.0210 5.0210 5.1479 5.1479 7.5569 7.5569 7.7143 7.7143 7.9283 7.9283 8.0924 8.0924 9.2983 9.2983 9.4651 9.4651 12.0371 12.0371 12.0965 12.0965 14.4566 14.4566 14.5468 14.5468 15.5180 15.5180 15.9447 15.9447 16.3652 16.3652 16.4578 16.4578 k = 0.4118 0.8016 0.4670 ( 4490 PWs) bands (ev): -42.7891 -42.7891 -42.7817 -42.7817 -21.6709 -21.6709 -21.6676 -21.6676 -19.3788 -19.3788 -19.3550 -19.3550 -18.9182 -18.9182 -18.9007 -18.9007 4.9058 4.9058 5.0019 5.0019 5.0278 5.0278 5.1373 5.1373 7.5679 7.5679 7.7033 7.7033 7.9381 7.9381 8.0791 8.0791 9.3184 9.3184 9.4639 9.4639 12.0239 12.0239 12.0764 12.0764 14.4729 14.4729 14.5497 14.5497 15.5782 15.5782 15.9926 15.9926 16.3470 16.3470 16.4736 16.4736 k = 0.4265 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7885 -42.7885 -42.7823 -42.7823 -21.6706 -21.6706 -21.6678 -21.6678 -19.3773 -19.3773 -19.3575 -19.3575 -18.9163 -18.9163 -18.9017 -18.9017 4.9145 4.9145 4.9948 4.9948 5.0350 5.0350 5.1268 5.1268 7.5791 7.5791 7.6923 7.6923 7.9483 7.9483 8.0659 8.0659 9.3377 9.3377 9.4608 9.4608 12.0133 12.0133 12.0584 12.0584 14.4877 14.4877 14.5513 14.5513 15.6385 15.6385 16.0293 16.0293 16.3350 16.3350 16.4882 16.4882 k = 0.4412 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7879 -42.7879 -42.7829 -42.7829 -21.6704 -21.6704 -21.6681 -21.6681 -19.3758 -19.3758 -19.3599 -19.3599 -18.9144 -18.9144 -18.9027 -18.9027 4.9232 4.9232 4.9875 4.9875 5.0427 5.0427 5.1164 5.1164 7.5903 7.5903 7.6811 7.6811 7.9588 7.9588 8.0530 8.0530 9.3562 9.3562 9.4559 9.4559 12.0056 12.0056 12.0425 12.0425 14.5010 14.5010 14.5515 14.5515 15.6985 15.6985 16.0468 16.0468 16.3369 16.3369 16.5000 16.5000 k = 0.4559 0.8016 0.4670 ( 4494 PWs) bands (ev): -42.7873 -42.7873 -42.7835 -42.7835 -21.6701 -21.6701 -21.6684 -21.6684 -19.3741 -19.3741 -19.3622 -19.3622 -18.9126 -18.9126 -18.9038 -18.9038 4.9318 4.9318 4.9801 4.9801 5.0507 5.0507 5.1062 5.1062 7.6016 7.6016 7.6699 7.6699 7.9696 7.9696 8.0402 8.0402 9.3736 9.3736 9.4491 9.4491 12.0006 12.0006 12.0288 12.0288 14.5127 14.5127 14.5503 14.5503 15.7578 15.7578 16.0404 16.0404 16.3569 16.3569 16.5062 16.5062 k = 0.4706 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7866 -42.7866 -42.7842 -42.7842 -21.6698 -21.6698 -21.6687 -21.6687 -19.3724 -19.3724 -19.3644 -19.3644 -18.9109 -18.9109 -18.9050 -18.9050 4.9402 4.9402 4.9725 4.9725 5.0591 5.0591 5.0962 5.0962 7.6130 7.6130 7.6586 7.6586 7.9806 7.9806 8.0278 8.0278 9.3899 9.3899 9.4406 9.4406 11.9985 11.9985 12.0175 12.0175 14.5228 14.5228 14.5478 14.5478 15.8160 15.8160 16.0136 16.0136 16.3904 16.3904 16.5038 16.5038 k = 0.4853 0.8016 0.4670 ( 4492 PWs) bands (ev): -42.7860 -42.7860 -42.7848 -42.7848 -21.6695 -21.6695 -21.6690 -21.6690 -19.3705 -19.3705 -19.3666 -19.3666 -18.9093 -18.9093 -18.9064 -18.9064 4.9486 4.9486 4.9647 4.9647 5.0679 5.0679 5.0865 5.0865 7.6244 7.6244 7.6472 7.6472 7.9920 7.9920 8.0156 8.0156 9.4048 9.4048 9.4303 9.4303 11.9992 11.9992 12.0088 12.0088 14.5313 14.5313 14.5438 14.5438 15.8722 15.8722 15.9735 15.9735 16.4287 16.4287 16.4899 16.4899 k = 0.5000 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7854 -42.7854 -42.7854 -42.7854 -21.6692 -21.6692 -21.6692 -21.6692 -19.3686 -19.3686 -19.3686 -19.3686 -18.9078 -18.9078 -18.9078 -18.9078 4.9567 4.9567 4.9567 4.9567 5.0770 5.0770 5.0770 5.0770 7.6358 7.6358 7.6358 7.6358 8.0037 8.0037 8.0037 8.0037 9.4183 9.4183 9.4183 9.4183 12.0026 12.0026 12.0026 12.0026 14.5383 14.5383 14.5383 14.5383 15.9253 15.9253 15.9253 15.9253 16.4638 16.4638 16.4638 16.4638 k = 0.5000 0.8016 0.4670 ( 4488 PWs) bands (ev): -42.7854 -42.7854 -42.7854 -42.7854 -21.6692 -21.6692 -21.6692 -21.6692 -19.3686 -19.3686 -19.3686 -19.3686 -18.9078 -18.9078 -18.9078 -18.9078 4.9567 4.9567 4.9567 4.9567 5.0770 5.0770 5.0770 5.0770 7.6358 7.6358 7.6358 7.6358 8.0037 8.0037 8.0037 8.0037 9.4183 9.4183 9.4183 9.4183 12.0026 12.0026 12.0026 12.0026 14.5383 14.5383 14.5383 14.5383 15.9253 15.9253 15.9253 15.9253 16.4638 16.4638 16.4638 16.4638 k = 0.5000 0.8087 0.4549 ( 4492 PWs) bands (ev): -42.7857 -42.7857 -42.7853 -42.7853 -21.6716 -21.6716 -21.6665 -21.6665 -19.3704 -19.3704 -19.3667 -19.3667 -18.9083 -18.9083 -18.9073 -18.9073 4.9299 4.9299 4.9793 4.9793 5.0549 5.0549 5.1046 5.1046 7.6269 7.6269 7.6383 7.6383 8.0004 8.0004 8.0130 8.0130 9.4181 9.4181 9.4182 9.4182 12.0023 12.0023 12.0024 12.0024 14.5384 14.5384 14.5388 14.5388 15.9247 15.9247 15.9254 15.9254 16.4599 16.4599 16.4615 16.4615 k = 0.5000 0.8158 0.4427 ( 4490 PWs) bands (ev): -42.7862 -42.7862 -42.7855 -42.7855 -21.6736 -21.6736 -21.6633 -21.6633 -19.3721 -19.3721 -19.3648 -19.3648 -18.9088 -18.9088 -18.9068 -18.9068 4.9022 4.9022 4.9855 4.9855 5.0504 5.0504 5.1343 5.1343 7.6125 7.6125 7.6342 7.6342 8.0034 8.0034 8.0275 8.0275 9.4174 9.4174 9.4178 9.4178 12.0015 12.0015 12.0017 12.0017 14.5391 14.5391 14.5399 14.5399 15.9236 15.9236 15.9249 15.9249 16.4499 16.4499 16.4530 16.4530 k = 0.5000 0.8229 0.4305 ( 4490 PWs) bands (ev): -42.7869 -42.7869 -42.7859 -42.7859 -21.6751 -21.6751 -21.6598 -21.6598 -19.3738 -19.3738 -19.3628 -19.3628 -18.9093 -18.9093 -18.9063 -18.9063 4.8745 4.8745 4.9695 4.9695 5.0694 5.0694 5.1652 5.1652 7.5937 7.5937 7.6239 7.6239 8.0124 8.0124 8.0462 8.0462 9.4165 9.4165 9.4169 9.4169 12.0002 12.0002 12.0005 12.0005 14.5403 14.5403 14.5415 14.5415 15.9221 15.9221 15.9240 15.9240 16.4344 16.4344 16.4389 16.4389 k = 0.5000 0.8299 0.4183 ( 4490 PWs) bands (ev): -42.7878 -42.7878 -42.7864 -42.7864 -21.6763 -21.6763 -21.6559 -21.6559 -19.3754 -19.3754 -19.3607 -19.3607 -18.9098 -18.9098 -18.9058 -18.9058 4.8472 4.8472 4.9457 4.9457 5.0974 5.0974 5.1969 5.1969 7.5714 7.5714 7.6081 7.6081 8.0264 8.0264 8.0679 8.0679 9.4151 9.4151 9.4158 9.4158 11.9984 11.9984 11.9988 11.9988 14.5422 14.5422 14.5437 14.5437 15.9200 15.9200 15.9226 15.9226 16.4138 16.4138 16.4197 16.4197 k = 0.5000 0.8370 0.4062 ( 4488 PWs) bands (ev): -42.7889 -42.7889 -42.7872 -42.7872 -21.6770 -21.6770 -21.6515 -21.6515 -19.3769 -19.3769 -19.3585 -19.3585 -18.9103 -18.9103 -18.9053 -18.9053 4.8204 4.8204 4.9202 4.9202 5.1283 5.1283 5.2294 5.2294 7.5465 7.5465 7.5882 7.5882 8.0443 8.0443 8.0920 8.0920 9.4135 9.4135 9.4143 9.4143 11.9960 11.9960 11.9965 11.9965 14.5445 14.5445 14.5465 14.5465 15.9175 15.9175 15.9209 15.9209 16.3888 16.3888 16.3959 16.3959 k = 0.5000 0.8441 0.3940 ( 4486 PWs) bands (ev): -42.7903 -42.7903 -42.7883 -42.7883 -21.6774 -21.6774 -21.6468 -21.6468 -19.3783 -19.3783 -19.3563 -19.3563 -18.9108 -18.9108 -18.9048 -18.9048 4.7941 4.7941 4.8946 4.8946 5.1606 5.1606 5.2626 5.2626 7.5196 7.5196 7.5649 7.5649 8.0652 8.0652 8.1176 8.1176 9.4115 9.4115 9.4124 9.4124 11.9929 11.9929 11.9936 11.9936 14.5474 14.5474 14.5498 14.5498 15.9147 15.9147 15.9187 15.9187 16.3600 16.3600 16.3683 16.3683 k = 0.5000 0.8512 0.3818 ( 4492 PWs) bands (ev): -42.7918 -42.7918 -42.7895 -42.7895 -21.6774 -21.6774 -21.6417 -21.6417 -19.3797 -19.3797 -19.3540 -19.3540 -18.9112 -18.9112 -18.9043 -18.9043 4.7684 4.7684 4.8692 4.8692 5.1938 5.1938 5.2965 5.2965 7.4914 7.4914 7.5393 7.5393 8.0881 8.0881 8.1442 8.1442 9.4091 9.4091 9.4103 9.4103 11.9892 11.9892 11.9900 11.9900 14.5508 14.5508 14.5536 14.5536 15.9115 15.9115 15.9162 15.9162 16.3281 16.3281 16.3374 16.3374 k = 0.5000 0.8583 0.3696 ( 4496 PWs) bands (ev): -42.7936 -42.7936 -42.7909 -42.7909 -21.6769 -21.6769 -21.6362 -21.6362 -19.3810 -19.3810 -19.3516 -19.3516 -18.9117 -18.9117 -18.9038 -18.9038 4.7434 4.7434 4.8443 4.8443 5.2279 5.2279 5.3309 5.3309 7.4621 7.4621 7.5118 7.5118 8.1125 8.1125 8.1715 8.1715 9.4065 9.4065 9.4079 9.4079 11.9848 11.9848 11.9857 11.9857 14.5546 14.5546 14.5578 14.5578 15.9079 15.9079 15.9134 15.9134 16.2935 16.2935 16.3038 16.3038 k = 0.5000 0.8583 0.3696 ( 4496 PWs) bands (ev): -42.7936 -42.7936 -42.7909 -42.7909 -21.6769 -21.6769 -21.6362 -21.6362 -19.3810 -19.3810 -19.3516 -19.3516 -18.9117 -18.9117 -18.9038 -18.9038 4.7434 4.7434 4.8443 4.8443 5.2279 5.2279 5.3309 5.3309 7.4621 7.4621 7.5118 7.5118 8.1125 8.1125 8.1715 8.1715 9.4065 9.4065 9.4079 9.4079 11.9848 11.9848 11.9857 11.9857 14.5546 14.5546 14.5578 14.5578 15.9079 15.9079 15.9134 15.9134 16.2935 16.2935 16.3038 16.3038 k = 0.5000 0.8566 0.3550 ( 4496 PWs) bands (ev): -42.7931 -42.7931 -42.7906 -42.7906 -21.6771 -21.6771 -21.6377 -21.6377 -19.3802 -19.3802 -19.3517 -19.3517 -18.9120 -18.9120 -18.9043 -18.9043 4.7500 4.7500 4.8509 4.8509 5.2145 5.2145 5.3173 5.3173 7.4704 7.4704 7.5198 7.5198 8.1086 8.1086 8.1673 8.1673 9.4043 9.4043 9.4055 9.4055 11.9887 11.9887 11.9903 11.9903 14.5606 14.5606 14.5639 14.5639 15.9118 15.9118 15.9176 15.9176 16.2632 16.2632 16.2741 16.2741 k = 0.5000 0.8548 0.3404 ( 4498 PWs) bands (ev): -42.7927 -42.7927 -42.7902 -42.7902 -21.6772 -21.6772 -21.6391 -21.6391 -19.3793 -19.3793 -19.3518 -19.3518 -18.9123 -18.9123 -18.9047 -18.9047 4.7564 4.7564 4.8572 4.8572 5.2011 5.2011 5.3037 5.3037 7.4787 7.4787 7.5278 7.5278 8.1051 8.1051 8.1633 8.1633 9.4018 9.4018 9.4027 9.4027 11.9925 11.9925 11.9946 11.9946 14.5678 14.5678 14.5712 14.5712 15.9135 15.9135 15.9196 15.9196 16.2332 16.2332 16.2447 16.2447 k = 0.5000 0.8530 0.3258 ( 4500 PWs) bands (ev): -42.7923 -42.7923 -42.7898 -42.7898 -21.6773 -21.6773 -21.6404 -21.6404 -19.3784 -19.3784 -19.3519 -19.3519 -18.9126 -18.9126 -18.9053 -18.9053 4.7625 4.7625 4.8633 4.8633 5.1877 5.1877 5.2901 5.2901 7.4870 7.4870 7.5358 7.5358 8.1019 8.1019 8.1596 8.1596 9.3989 9.3989 9.3997 9.3997 11.9961 11.9961 11.9986 11.9986 14.5761 14.5761 14.5797 14.5797 15.9122 15.9122 15.9186 15.9186 16.2050 16.2050 16.2170 16.2170 k = 0.5000 0.8512 0.3112 ( 4500 PWs) bands (ev): -42.7919 -42.7919 -42.7895 -42.7895 -21.6774 -21.6774 -21.6418 -21.6418 -19.3774 -19.3774 -19.3518 -19.3518 -18.9130 -18.9130 -18.9058 -18.9058 4.7683 4.7683 4.8691 4.8691 5.1743 5.1743 5.2765 5.2765 7.4954 7.4954 7.5437 7.5437 8.0989 8.0989 8.1561 8.1561 9.3957 9.3957 9.3963 9.3963 11.9995 11.9995 12.0025 12.0025 14.5857 14.5857 14.5893 14.5893 15.9066 15.9066 15.9133 15.9133 16.1801 16.1801 16.1925 16.1925 k = 0.5000 0.8495 0.2966 ( 4496 PWs) bands (ev): -42.7915 -42.7915 -42.7892 -42.7892 -21.6775 -21.6775 -21.6431 -21.6431 -19.3763 -19.3763 -19.3518 -19.3518 -18.9134 -18.9134 -18.9064 -18.9064 4.7739 4.7739 4.8746 4.8746 5.1610 5.1610 5.2629 5.2629 7.5037 7.5037 7.5515 7.5515 8.0963 8.0963 8.1529 8.1529 9.3922 9.3922 9.3927 9.3927 12.0027 12.0027 12.0062 12.0062 14.5963 14.5963 14.6001 14.6001 15.8955 15.8955 15.9026 15.9026 16.1602 16.1602 16.1729 16.1729 k = 0.5000 0.8477 0.2821 ( 4494 PWs) bands (ev): -42.7911 -42.7911 -42.7889 -42.7889 -21.6775 -21.6775 -21.6444 -21.6444 -19.3752 -19.3752 -19.3516 -19.3516 -18.9138 -18.9138 -18.9071 -18.9071 4.7793 4.7793 4.8798 4.8798 5.1478 5.1478 5.2495 5.2495 7.5120 7.5120 7.5593 7.5593 8.0940 8.0940 8.1499 8.1499 9.3885 9.3885 9.3887 9.3887 12.0057 12.0057 12.0096 12.0096 14.6081 14.6081 14.6120 14.6120 15.8781 15.8781 15.8857 15.8857 16.1465 16.1465 16.1592 16.1592 k = 0.5000 0.8459 0.2675 ( 4494 PWs) bands (ev): -42.7907 -42.7907 -42.7886 -42.7886 -21.6775 -21.6775 -21.6457 -21.6457 -19.3741 -19.3741 -19.3514 -19.3514 -18.9143 -18.9143 -18.9078 -18.9078 4.7844 4.7844 4.8848 4.8848 5.1347 5.1347 5.2361 5.2361 7.5202 7.5202 7.5669 7.5669 8.0920 8.0920 8.1472 8.1472 9.3845 9.3845 9.3846 9.3846 12.0085 12.0085 12.0128 12.0128 14.6210 14.6210 14.6249 14.6249 15.8545 15.8545 15.8627 15.8627 16.1389 16.1389 16.1516 16.1516 k = 0.5000 0.8441 0.2529 ( 4498 PWs) bands (ev): -42.7903 -42.7903 -42.7883 -42.7883 -21.6775 -21.6775 -21.6470 -21.6470 -19.3729 -19.3729 -19.3512 -19.3512 -18.9148 -18.9148 -18.9085 -18.9085 4.7892 4.7892 4.8894 4.8894 5.1218 5.1218 5.2229 5.2229 7.5284 7.5284 7.5744 7.5744 8.0904 8.0904 8.1447 8.1447 9.3802 9.3802 9.3802 9.3802 12.0111 12.0111 12.0158 12.0158 14.6350 14.6350 14.6389 14.6389 15.8258 15.8258 15.8345 15.8345 16.1369 16.1369 16.1494 16.1494 k = 0.5000 0.8424 0.2383 ( 4494 PWs) bands (ev): -42.7900 -42.7900 -42.7881 -42.7881 -21.6774 -21.6774 -21.6482 -21.6482 -19.3717 -19.3717 -19.3510 -19.3510 -18.9153 -18.9153 -18.9092 -18.9092 4.7938 4.7938 4.8938 4.8938 5.1091 5.1091 5.2099 5.2099 7.5364 7.5364 7.5817 7.5817 8.0890 8.0890 8.1423 8.1423 9.3756 9.3756 9.3758 9.3758 12.0135 12.0135 12.0185 12.0185 14.6500 14.6500 14.6539 14.6539 15.7932 15.7932 15.8025 15.8025 16.1392 16.1392 16.1516 16.1516 k = 0.5000 0.8406 0.2237 ( 4490 PWs) bands (ev): -42.7897 -42.7897 -42.7878 -42.7878 -21.6774 -21.6774 -21.6494 -21.6494 -19.3704 -19.3704 -19.3507 -19.3507 -18.9158 -18.9158 -18.9099 -18.9099 4.7982 4.7982 4.8980 4.8980 5.0967 5.0967 5.1971 5.1971 7.5444 7.5444 7.5888 7.5888 8.0879 8.0879 8.1402 8.1402 9.3709 9.3709 9.3712 9.3712 12.0158 12.0158 12.0211 12.0211 14.6659 14.6659 14.6699 14.6699 15.7583 15.7583 15.7679 15.7679 16.1446 16.1446 16.1570 16.1570 k = 0.5000 0.8388 0.2091 ( 4488 PWs) bands (ev): -42.7893 -42.7893 -42.7876 -42.7876 -21.6773 -21.6773 -21.6506 -21.6506 -19.3692 -19.3692 -19.3504 -19.3504 -18.9163 -18.9163 -18.9107 -18.9107 4.8024 4.8024 4.9018 4.9018 5.0846 5.0846 5.1845 5.1845 7.5523 7.5523 7.5957 7.5957 8.0871 8.0871 8.1383 8.1383 9.3660 9.3660 9.3664 9.3664 12.0179 12.0179 12.0234 12.0234 14.6828 14.6828 14.6867 14.6867 15.7218 15.7218 15.7317 15.7318 16.1522 16.1522 16.1646 16.1646 k = 0.5000 0.8370 0.1945 ( 4484 PWs) bands (ev): -42.7890 -42.7890 -42.7873 -42.7873 -21.6772 -21.6772 -21.6518 -21.6518 -19.3679 -19.3679 -19.3500 -19.3500 -18.9169 -18.9169 -18.9115 -18.9115 4.8064 4.8064 4.9053 4.9053 5.0728 5.0728 5.1721 5.1721 7.5600 7.5600 7.6024 7.6024 8.0866 8.0866 8.1365 8.1365 9.3611 9.3611 9.3616 9.3616 12.0199 12.0199 12.0256 12.0256 14.7005 14.7005 14.7044 14.7044 15.6848 15.6848 15.6949 15.6949 16.1614 16.1614 16.1738 16.1738 k = 0.5000 0.8353 0.1799 ( 4482 PWs) bands (ev): -42.7887 -42.7887 -42.7871 -42.7871 -21.6771 -21.6771 -21.6530 -21.6530 -19.3666 -19.3666 -19.3497 -19.3497 -18.9174 -18.9174 -18.9123 -18.9123 4.8102 4.8102 4.9086 4.9086 5.0614 5.0614 5.1601 5.1601 7.5675 7.5675 7.6088 7.6088 8.0864 8.0864 8.1349 8.1349 9.3561 9.3561 9.3567 9.3567 12.0217 12.0217 12.0275 12.0275 14.7190 14.7190 14.7228 14.7228 15.6478 15.6478 15.6580 15.6580 16.1715 16.1715 16.1840 16.1840 k = 0.5000 0.8335 0.1653 ( 4480 PWs) bands (ev): -42.7885 -42.7885 -42.7869 -42.7869 -21.6769 -21.6769 -21.6541 -21.6541 -19.3653 -19.3653 -19.3493 -19.3493 -18.9180 -18.9180 -18.9131 -18.9131 4.8138 4.8138 4.9115 4.9115 5.0505 5.0505 5.1483 5.1483 7.5749 7.5749 7.6149 7.6149 8.0865 8.0865 8.1335 8.1335 9.3510 9.3510 9.3517 9.3517 12.0234 12.0234 12.0293 12.0293 14.7381 14.7381 14.7418 14.7418 15.6113 15.6113 15.6215 15.6215 16.1821 16.1821 16.1947 16.1947 k = 0.5000 0.8317 0.1507 ( 4480 PWs) bands (ev): -42.7882 -42.7882 -42.7868 -42.7868 -21.6767 -21.6767 -21.6552 -21.6552 -19.3640 -19.3640 -19.3489 -19.3489 -18.9185 -18.9185 -18.9139 -18.9139 4.8173 4.8173 4.9140 4.9140 5.0400 5.0400 5.1369 5.1369 7.5821 7.5821 7.6207 7.6207 8.0868 8.0868 8.1321 8.1321 9.3460 9.3460 9.3467 9.3467 12.0250 12.0250 12.0309 12.0309 14.7578 14.7578 14.7614 14.7614 15.5756 15.5756 15.5857 15.5857 16.1929 16.1929 16.2055 16.2055 k = 0.5000 0.8299 0.1361 ( 4474 PWs) bands (ev): -42.7879 -42.7879 -42.7866 -42.7866 -21.6765 -21.6765 -21.6562 -21.6562 -19.3627 -19.3627 -19.3486 -19.3486 -18.9191 -18.9191 -18.9146 -18.9146 4.8206 4.8206 4.9162 4.9162 5.0302 5.0302 5.1259 5.1259 7.5891 7.5891 7.6262 7.6262 8.0873 8.0873 8.1309 8.1309 9.3409 9.3409 9.3417 9.3417 12.0264 12.0264 12.0323 12.0323 14.7779 14.7779 14.7814 14.7814 15.5410 15.5410 15.5510 15.5510 16.2035 16.2035 16.2162 16.2162 k = 0.5000 0.8282 0.1215 ( 4470 PWs) bands (ev): -42.7877 -42.7877 -42.7864 -42.7864 -21.6763 -21.6763 -21.6573 -21.6573 -19.3615 -19.3615 -19.3482 -19.3482 -18.9196 -18.9196 -18.9154 -18.9154 4.8239 4.8239 4.9179 4.9179 5.0211 5.0211 5.1152 5.1152 7.5958 7.5958 7.6313 7.6313 8.0881 8.0881 8.1298 8.1298 9.3360 9.3360 9.3368 9.3368 12.0277 12.0277 12.0336 12.0336 14.7984 14.7984 14.8017 14.8017 15.5078 15.5078 15.5175 15.5175 16.2137 16.2137 16.2265 16.2265 k = 0.5000 0.8264 0.1069 ( 4466 PWs) bands (ev): -42.7875 -42.7875 -42.7863 -42.7863 -21.6760 -21.6760 -21.6583 -21.6583 -19.3602 -19.3602 -19.3479 -19.3479 -18.9201 -18.9201 -18.9162 -18.9162 4.8270 4.8270 4.9191 4.9191 5.0127 5.0127 5.1048 5.1048 7.6023 7.6023 7.6361 7.6361 8.0890 8.0890 8.1287 8.1287 9.3312 9.3312 9.3320 9.3320 12.0290 12.0290 12.0347 12.0347 14.8190 14.8190 14.8221 14.8221 15.4761 15.4761 15.4856 15.4856 16.2233 16.2233 16.2361 16.2361 k = 0.5000 0.8246 0.0923 ( 4472 PWs) bands (ev): -42.7873 -42.7873 -42.7862 -42.7862 -21.6758 -21.6758 -21.6593 -21.6593 -19.3590 -19.3590 -19.3476 -19.3476 -18.9206 -18.9206 -18.9169 -18.9169 4.8301 4.8301 4.9197 4.9197 5.0053 5.0053 5.0949 5.0949 7.6085 7.6085 7.6405 7.6405 8.0902 8.0902 8.1277 8.1277 9.3265 9.3265 9.3274 9.3274 12.0301 12.0301 12.0357 12.0357 14.8396 14.8396 14.8425 14.8425 15.4462 15.4462 15.4553 15.4553 16.2320 16.2320 16.2448 16.2448 k = 0.5000 0.8229 0.0777 ( 4480 PWs) bands (ev): -42.7871 -42.7871 -42.7860 -42.7860 -21.6755 -21.6755 -21.6603 -21.6603 -19.3578 -19.3578 -19.3473 -19.3473 -18.9210 -18.9210 -18.9177 -18.9177 4.8331 4.8331 4.9196 4.9196 4.9990 4.9990 5.0854 5.0854 7.6145 7.6145 7.6445 7.6445 8.0915 8.0915 8.1267 8.1267 9.3220 9.3220 9.3229 9.3229 12.0312 12.0312 12.0365 12.0365 14.8601 14.8601 14.8627 14.8627 15.4181 15.4181 15.4268 15.4268 16.2396 16.2396 16.2523 16.2523 k = 0.5000 0.8211 0.0631 ( 4480 PWs) bands (ev): -42.7869 -42.7869 -42.7859 -42.7859 -21.6751 -21.6751 -21.6612 -21.6612 -19.3567 -19.3567 -19.3470 -19.3470 -18.9215 -18.9215 -18.9183 -18.9183 4.8361 4.8361 4.9186 4.9186 4.9939 4.9939 5.0763 5.0763 7.6202 7.6202 7.6482 7.6482 8.0930 8.0930 8.1258 8.1258 9.3177 9.3177 9.3186 9.3186 12.0322 12.0322 12.0372 12.0372 14.8801 14.8801 14.8825 14.8825 15.3919 15.3919 15.4002 15.4002 16.2459 16.2459 16.2585 16.2585 k = 0.5000 0.8193 0.0485 ( 4478 PWs) bands (ev): -42.7867 -42.7867 -42.7858 -42.7858 -21.6748 -21.6748 -21.6621 -21.6621 -19.3556 -19.3556 -19.3468 -19.3468 -18.9219 -18.9219 -18.9190 -18.9190 4.8391 4.8391 4.9168 4.9168 4.9900 4.9900 5.0676 5.0676 7.6255 7.6255 7.6514 7.6514 8.0946 8.0946 8.1248 8.1248 9.3137 9.3137 9.3145 9.3145 12.0331 12.0331 12.0379 12.0379 14.8996 14.8996 14.9017 14.9017 15.3678 15.3678 15.3756 15.3756 16.2509 16.2509 16.2631 16.2631 k = 0.5000 0.8175 0.0339 ( 4474 PWs) bands (ev): -42.7865 -42.7865 -42.7858 -42.7858 -21.6744 -21.6744 -21.6630 -21.6630 -19.3545 -19.3545 -19.3467 -19.3467 -18.9222 -18.9222 -18.9196 -18.9196 4.8422 4.8422 4.9141 4.9141 4.9875 4.9875 5.0593 5.0593 7.6306 7.6306 7.6541 7.6541 8.0962 8.0962 8.1238 8.1238 9.3099 9.3099 9.3107 9.3107 12.0339 12.0339 12.0383 12.0383 14.9183 14.9183 14.9201 14.9201 15.3459 15.3459 15.3532 15.3532 16.2544 16.2544 16.2662 16.2662 k = 0.5000 0.8158 0.0193 ( 4472 PWs) bands (ev): -42.7864 -42.7864 -42.7857 -42.7857 -21.6740 -21.6740 -21.6639 -21.6639 -19.3535 -19.3535 -19.3465 -19.3465 -18.9225 -18.9225 -18.9202 -18.9202 4.8453 4.8453 4.9107 4.9107 4.9861 4.9861 5.0514 5.0514 7.6353 7.6353 7.6565 7.6565 8.0980 8.0980 8.1228 8.1228 9.3065 9.3065 9.3072 9.3072 12.0347 12.0347 12.0387 12.0387 14.9359 14.9359 14.9374 14.9374 15.3262 15.3262 15.3329 15.3329 16.2565 16.2565 16.2676 16.2676 k = 0.5000 0.8140 0.0048 ( 4480 PWs) bands (ev): -42.7862 -42.7862 -42.7856 -42.7856 -21.6736 -21.6736 -21.6647 -21.6647 -19.3526 -19.3526 -19.3465 -19.3465 -18.9228 -18.9228 -18.9208 -18.9208 4.8485 4.8485 4.9067 4.9067 4.9859 4.9859 5.0440 5.0440 7.6396 7.6396 7.6584 7.6584 8.0998 8.0998 8.1218 8.1218 9.3034 9.3034 9.3041 9.3041 12.0354 12.0354 12.0390 12.0390 14.9522 14.9522 14.9534 14.9534 15.3088 15.3088 15.3148 15.3148 16.2573 16.2573 16.2675 16.2675 k = 0.5000 0.8122-0.0098 ( 4478 PWs) bands (ev): -42.7861 -42.7861 -42.7856 -42.7856 -21.6731 -21.6731 -21.6655 -21.6655 -19.3517 -19.3517 -19.3465 -19.3465 -18.9230 -18.9230 -18.9213 -18.9213 4.8518 4.8518 4.9023 4.9023 4.9866 4.9866 5.0370 5.0370 7.6436 7.6436 7.6598 7.6598 8.1017 8.1017 8.1207 8.1207 9.3006 9.3006 9.3013 9.3013 12.0361 12.0361 12.0392 12.0392 14.9669 14.9669 14.9679 14.9679 15.2937 15.2937 15.2991 15.2991 16.2571 16.2571 16.2662 16.2662 k = 0.5000 0.8104-0.0244 ( 4476 PWs) bands (ev): -42.7860 -42.7860 -42.7856 -42.7856 -21.6726 -21.6726 -21.6663 -21.6663 -19.3509 -19.3509 -19.3465 -19.3465 -18.9232 -18.9232 -18.9217 -18.9217 4.8552 4.8552 4.8977 4.8977 4.9880 4.9880 5.0304 5.0304 7.6472 7.6472 7.6609 7.6609 8.1035 8.1035 8.1195 8.1195 9.2983 9.2983 9.2988 9.2988 12.0367 12.0367 12.0394 12.0394 14.9799 14.9799 14.9807 14.9807 15.2810 15.2810 15.2856 15.2856 16.2560 16.2560 16.2639 16.2639 k = 0.5000 0.8087-0.0390 ( 4472 PWs) bands (ev): -42.7859 -42.7859 -42.7856 -42.7856 -21.6721 -21.6721 -21.6670 -21.6670 -19.3501 -19.3501 -19.3466 -19.3466 -18.9233 -18.9233 -18.9221 -18.9221 4.8587 4.8587 4.8929 4.8929 4.9901 4.9901 5.0242 5.0242 7.6505 7.6505 7.6614 7.6614 8.1054 8.1054 8.1182 8.1182 9.2964 9.2964 9.2968 9.2968 12.0372 12.0372 12.0394 12.0394 14.9908 14.9908 14.9914 14.9914 15.2708 15.2708 15.2745 15.2745 16.2546 16.2546 16.2610 16.2610 k = 0.5000 0.8069-0.0536 ( 4470 PWs) bands (ev): -42.7858 -42.7858 -42.7856 -42.7856 -21.6716 -21.6716 -21.6678 -21.6678 -19.3494 -19.3494 -19.3468 -19.3468 -18.9233 -18.9233 -18.9225 -18.9225 4.8624 4.8624 4.8882 4.8882 4.9928 4.9928 5.0185 5.0185 7.6533 7.6533 7.6616 7.6616 8.1072 8.1072 8.1169 8.1169 9.2949 9.2949 9.2952 9.2952 12.0377 12.0377 12.0394 12.0394 14.9995 14.9995 14.9999 14.9999 15.2629 15.2629 15.2658 15.2658 16.2532 16.2532 16.2581 16.2581 k = 0.5000 0.8051-0.0682 ( 4466 PWs) bands (ev): -42.7857 -42.7857 -42.7856 -42.7856 -21.6710 -21.6710 -21.6685 -21.6685 -19.3488 -19.3488 -19.3471 -19.3471 -18.9233 -18.9233 -18.9228 -18.9228 4.8663 4.8663 4.8835 4.8835 4.9960 4.9960 5.0131 5.0131 7.6557 7.6557 7.6613 7.6613 8.1090 8.1090 8.1155 8.1155 9.2938 9.2938 9.2940 9.2940 12.0382 12.0382 12.0393 12.0393 15.0059 15.0059 15.0061 15.0061 15.2574 15.2574 15.2594 15.2594 16.2521 16.2521 16.2554 16.2554 k = 0.5000 0.8033-0.0828 ( 4472 PWs) bands (ev): -42.7857 -42.7857 -42.7856 -42.7856 -21.6704 -21.6704 -21.6691 -21.6691 -19.3483 -19.3483 -19.3474 -19.3474 -18.9233 -18.9233 -18.9230 -18.9230 4.8703 4.8703 4.8789 4.8789 4.9996 4.9996 5.0082 5.0082 7.6578 7.6578 7.6605 7.6605 8.1107 8.1107 8.1140 8.1140 9.2932 9.2932 9.2933 9.2933 12.0385 12.0385 12.0391 12.0391 15.0098 15.0098 15.0099 15.0099 15.2544 15.2544 15.2554 15.2554 16.2517 16.2517 16.2533 16.2533 k = 0.5000 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.7856 -42.7856 -42.7856 -42.7856 -21.6698 -21.6698 -21.6698 -21.6698 -19.3478 -19.3478 -19.3478 -19.3478 -18.9232 -18.9232 -18.9232 -18.9232 4.8745 4.8745 4.8745 4.8745 5.0037 5.0037 5.0037 5.0037 7.6594 7.6594 7.6594 7.6594 8.1124 8.1124 8.1124 8.1124 9.2930 9.2930 9.2930 9.2930 12.0388 12.0388 12.0388 12.0388 15.0111 15.0111 15.0111 15.0111 15.2537 15.2537 15.2537 15.2537 16.2521 16.2521 16.2521 16.2521 k = 0.5000 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.7856 -42.7856 -42.7856 -42.7856 -21.6698 -21.6698 -21.6698 -21.6698 -19.3478 -19.3478 -19.3478 -19.3478 -18.9232 -18.9232 -18.9232 -18.9232 4.8745 4.8745 4.8745 4.8745 5.0037 5.0037 5.0037 5.0037 7.6594 7.6594 7.6594 7.6594 8.1124 8.1124 8.1124 8.1124 9.2930 9.2930 9.2930 9.2930 12.0388 12.0388 12.0388 12.0388 15.0111 15.0111 15.0111 15.0111 15.2537 15.2537 15.2537 15.2537 16.2521 16.2521 16.2521 16.2521 k = 0.4853 0.8016-0.0974 ( 4478 PWs) bands (ev): -42.7866 -42.7866 -42.7847 -42.7847 -21.6704 -21.6704 -21.6692 -21.6692 -19.3520 -19.3520 -19.3436 -19.3436 -18.9268 -18.9268 -18.9195 -18.9195 4.8703 4.8703 4.8768 4.8768 4.9958 4.9958 5.0136 5.0136 7.6456 7.6456 7.6730 7.6730 8.1006 8.1006 8.1245 8.1245 9.2862 9.2862 9.2992 9.2992 12.0240 12.0240 12.0549 12.0549 14.9830 14.9830 15.0022 15.0022 15.2510 15.2510 15.2860 15.2860 16.2276 16.2276 16.2805 16.2805 k = 0.4706 0.8016-0.0974 ( 4476 PWs) bands (ev): -42.7875 -42.7875 -42.7838 -42.7838 -21.6710 -21.6710 -21.6686 -21.6686 -19.3561 -19.3561 -19.3394 -19.3394 -18.9305 -18.9305 -18.9158 -18.9158 4.8646 4.8646 4.8765 4.8765 4.9906 4.9906 5.0251 5.0251 7.6317 7.6317 7.6865 7.6865 8.0892 8.0892 8.1368 8.1368 9.2787 9.2787 9.3046 9.3046 12.0103 12.0103 12.0722 12.0722 14.9228 14.9228 14.9706 14.9706 15.2758 15.2758 15.3303 15.3303 16.2053 16.2053 16.3133 16.3133 k = 0.4559 0.8016-0.0974 ( 4478 PWs) bands (ev): -42.7884 -42.7884 -42.7829 -42.7829 -21.6716 -21.6716 -21.6680 -21.6680 -19.3603 -19.3603 -19.3351 -19.3351 -18.9342 -18.9342 -18.9122 -18.9122 4.8578 4.8578 4.8733 4.8733 4.9882 4.9882 5.0375 5.0375 7.6178 7.6178 7.6997 7.6997 8.0781 8.0781 8.1493 8.1493 9.2705 9.2705 9.3093 9.3093 11.9979 11.9979 12.0905 12.0905 14.8455 14.8455 14.9292 14.9292 15.3147 15.3147 15.3717 15.3717 16.1820 16.1820 16.3500 16.3500 k = 0.4412 0.8016-0.0974 ( 4476 PWs) bands (ev): -42.7893 -42.7893 -42.7820 -42.7820 -21.6722 -21.6722 -21.6674 -21.6674 -19.3643 -19.3643 -19.3309 -19.3309 -18.9379 -18.9379 -18.9086 -18.9086 4.8503 4.8503 4.8675 4.8675 4.9886 4.9886 5.0508 5.0508 7.6039 7.6039 7.7127 7.7127 8.0675 8.0675 8.1621 8.1621 9.2618 9.2618 9.3132 9.3132 11.9868 11.9868 12.1100 12.1100 14.7602 14.7602 14.8838 14.8838 15.3594 15.3594 15.4037 15.4037 16.1544 16.1544 16.3902 16.3902 k = 0.4265 0.8016-0.0974 ( 4476 PWs) bands (ev): -42.7902 -42.7902 -42.7811 -42.7811 -21.6728 -21.6728 -21.6668 -21.6668 -19.3684 -19.3684 -19.3267 -19.3267 -18.9416 -18.9416 -18.9051 -18.9051 4.8423 4.8423 4.8595 4.8595 4.9913 4.9913 5.0644 5.0644 7.5900 7.5900 7.7253 7.7253 8.0573 8.0573 8.1750 8.1750 9.2526 9.2526 9.3164 9.3164 11.9769 11.9769 12.1304 12.1304 14.6713 14.6713 14.8367 14.8367 15.4030 15.4030 15.4271 15.4271 16.1214 16.1214 16.4333 16.4333 k = 0.4118 0.8016-0.0974 ( 4480 PWs) bands (ev): -42.7911 -42.7911 -42.7802 -42.7802 -21.6734 -21.6734 -21.6662 -21.6662 -19.3723 -19.3723 -19.3225 -19.3225 -18.9452 -18.9452 -18.9015 -18.9015 4.8339 4.8339 4.8498 4.8498 4.9957 4.9957 5.0784 5.0784 7.5762 7.5762 7.7375 7.7375 8.0476 8.0476 8.1880 8.1880 9.2429 9.2429 9.3189 9.3189 11.9683 11.9683 12.1518 12.1518 14.5811 14.5811 14.7890 14.7890 15.4216 15.4216 15.4645 15.4645 16.0841 16.0841 16.4788 16.4788 k = 0.3971 0.8016-0.0974 ( 4480 PWs) bands (ev): -42.7920 -42.7920 -42.7793 -42.7793 -21.6739 -21.6739 -21.6656 -21.6656 -19.3762 -19.3762 -19.3183 -19.3183 -18.9488 -18.9488 -18.8981 -18.8981 4.8254 4.8254 4.8390 4.8390 5.0014 5.0014 5.0926 5.0926 7.5625 7.5625 7.7493 7.7493 8.0385 8.0385 8.2011 8.2011 9.2328 9.2328 9.3206 9.3206 11.9609 11.9609 12.1741 12.1741 14.4909 14.4909 14.7412 14.7412 15.4188 15.4188 15.5136 15.5136 16.0444 16.0444 16.5263 16.5263 k = 0.3824 0.8016-0.0974 ( 4478 PWs) bands (ev): -42.7928 -42.7928 -42.7785 -42.7785 -21.6745 -21.6745 -21.6650 -21.6650 -19.3801 -19.3801 -19.3142 -19.3142 -18.9524 -18.9524 -18.8947 -18.8947 4.8166 4.8166 4.8277 4.8277 5.0079 5.0079 5.1068 5.1068 7.5489 7.5489 7.7606 7.7606 8.0300 8.0300 8.2143 8.2143 9.2223 9.2223 9.3215 9.3215 11.9548 11.9548 12.1972 12.1972 14.4017 14.4017 14.6938 14.6938 15.4060 15.4060 15.5644 15.5644 16.0039 16.0039 16.5754 16.5754 k = 0.3676 0.8016-0.0974 ( 4476 PWs) bands (ev): -42.7937 -42.7937 -42.7776 -42.7776 -21.6751 -21.6751 -21.6645 -21.6645 -19.3838 -19.3838 -19.3101 -19.3101 -18.9559 -18.9559 -18.8914 -18.8914 4.8077 4.8077 4.8161 4.8161 5.0149 5.0149 5.1209 5.1209 7.5355 7.5355 7.7712 7.7712 8.0223 8.0223 8.2275 8.2275 9.2115 9.2115 9.3218 9.3218 11.9498 11.9498 12.2209 12.2209 14.3139 14.3139 14.6470 14.6470 15.3863 15.3863 15.6155 15.6155 15.9636 15.9636 16.6258 16.6258 k = 0.3529 0.8016-0.0974 ( 4482 PWs) bands (ev): -42.7945 -42.7945 -42.7768 -42.7768 -21.6756 -21.6756 -21.6639 -21.6639 -19.3875 -19.3875 -19.3061 -19.3061 -18.9594 -18.9594 -18.8881 -18.8881 4.7983 4.7983 4.8047 4.8047 5.0222 5.0222 5.1350 5.1350 7.5223 7.5223 7.7811 7.7811 8.0152 8.0152 8.2407 8.2407 9.2005 9.2005 9.3214 9.3214 11.9459 11.9459 12.2453 12.2453 14.2282 14.2282 14.6010 14.6010 15.3616 15.3616 15.6665 15.6665 15.9242 15.9242 16.6771 16.6771 k = 0.3382 0.8016-0.0974 ( 4484 PWs) bands (ev): -42.7953 -42.7953 -42.7760 -42.7760 -21.6761 -21.6761 -21.6634 -21.6634 -19.3910 -19.3910 -19.3021 -19.3021 -18.9628 -18.9628 -18.8849 -18.8849 4.7882 4.7882 4.7942 4.7942 5.0297 5.0297 5.1489 5.1489 7.5094 7.5094 7.7902 7.7902 8.0091 8.0091 8.2539 8.2539 9.1892 9.1892 9.3203 9.3203 11.9431 11.9431 12.2702 12.2702 14.1447 14.1447 14.5560 14.5560 15.3332 15.3332 15.7171 15.7171 15.8865 15.8865 16.7291 16.7291 k = 0.3235 0.8016-0.0974 ( 4480 PWs) bands (ev): -42.7961 -42.7961 -42.7752 -42.7752 -21.6767 -21.6767 -21.6629 -21.6629 -19.3945 -19.3945 -19.2983 -19.2983 -18.9662 -18.9662 -18.8818 -18.8818 4.7771 4.7771 4.7848 4.7848 5.0373 5.0373 5.1625 5.1625 7.4967 7.4967 7.7985 7.7985 8.0038 8.0038 8.2669 8.2669 9.1779 9.1779 9.3187 9.3187 11.9413 11.9413 12.2955 12.2955 14.0637 14.0637 14.5120 14.5120 15.3023 15.3023 15.7665 15.7665 15.8510 15.8510 16.7816 16.7816 k = 0.3088 0.8016-0.0974 ( 4470 PWs) bands (ev): -42.7969 -42.7969 -42.7744 -42.7744 -21.6772 -21.6772 -21.6624 -21.6624 -19.3978 -19.3978 -19.2944 -19.2944 -18.9695 -18.9695 -18.8788 -18.8788 4.7657 4.7657 4.7762 4.7762 5.0448 5.0448 5.1759 5.1759 7.4843 7.4843 7.8058 7.8058 7.9996 7.9996 8.2798 8.2798 9.1664 9.1664 9.3165 9.3165 11.9405 11.9405 12.3212 12.3212 13.9855 13.9855 14.4693 14.4693 15.2695 15.2695 15.8045 15.8045 15.8283 15.8283 16.8344 16.8344 k = 0.2941 0.8016-0.0974 ( 4474 PWs) bands (ev): -42.7976 -42.7976 -42.7737 -42.7737 -21.6776 -21.6776 -21.6619 -21.6619 -19.4011 -19.4011 -19.2907 -19.2907 -18.9727 -18.9727 -18.8759 -18.8759 4.7543 4.7543 4.7679 4.7679 5.0522 5.0522 5.1890 5.1890 7.4723 7.4723 7.8120 7.8120 7.9964 7.9964 8.2926 8.2926 9.1549 9.1549 9.3138 9.3138 11.9406 11.9406 12.3470 12.3470 13.9102 13.9102 14.4279 14.4279 15.2355 15.2355 15.7808 15.7808 15.8683 15.8683 16.8873 16.8873 k = 0.2794 0.8016-0.0974 ( 4470 PWs) bands (ev): -42.7983 -42.7983 -42.7729 -42.7729 -21.6781 -21.6781 -21.6614 -21.6614 -19.4042 -19.4042 -19.2871 -19.2871 -18.9758 -18.9758 -18.8730 -18.8730 4.7432 4.7432 4.7599 4.7599 5.0595 5.0595 5.2018 5.2018 7.4606 7.4606 7.8171 7.8171 7.9943 7.9943 8.3052 8.3052 9.1435 9.1435 9.3107 9.3107 11.9415 11.9415 12.3729 12.3729 13.8379 13.8379 14.3879 14.3879 15.2008 15.2008 15.7512 15.7512 15.9154 15.9154 16.9401 16.9401 k = 0.2647 0.8016-0.0974 ( 4466 PWs) bands (ev): -42.7990 -42.7990 -42.7722 -42.7722 -21.6786 -21.6786 -21.6609 -21.6609 -19.4072 -19.4072 -19.2836 -19.2836 -18.9788 -18.9788 -18.8703 -18.8703 4.7323 4.7323 4.7523 4.7523 5.0667 5.0667 5.2141 5.2141 7.4493 7.4493 7.8211 7.8211 7.9932 7.9932 8.3175 8.3175 9.1322 9.1322 9.3072 9.3072 11.9431 11.9431 12.3987 12.3987 13.7688 13.7688 14.3495 14.3495 15.1658 15.1658 15.7231 15.7231 15.9617 15.9617 16.9928 16.9928 k = 0.2500 0.8016-0.0974 ( 4466 PWs) bands (ev): -42.7997 -42.7997 -42.7716 -42.7716 -21.6790 -21.6790 -21.6605 -21.6605 -19.4101 -19.4101 -19.2802 -19.2802 -18.9818 -18.9818 -18.8677 -18.8677 4.7218 4.7218 4.7449 4.7449 5.0736 5.0736 5.2260 5.2260 7.4384 7.4384 7.8241 7.8241 7.9933 7.9933 8.3295 8.3295 9.1210 9.1210 9.3034 9.3034 11.9454 11.9454 12.4244 12.4244 13.7028 13.7028 14.3126 14.3126 15.1308 15.1308 15.6971 15.6971 16.0069 16.0069 17.0450 17.0450 k = 0.2353 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.8003 -42.8003 -42.7710 -42.7710 -21.6794 -21.6794 -21.6601 -21.6601 -19.4128 -19.4128 -19.2769 -19.2769 -18.9846 -18.9846 -18.8653 -18.8653 4.7117 4.7117 4.7379 4.7379 5.0802 5.0802 5.2374 5.2374 7.4280 7.4280 7.8260 7.8260 7.9942 7.9942 8.3413 8.3413 9.1101 9.1101 9.2994 9.2994 11.9482 11.9482 12.4498 12.4498 13.6402 13.6402 14.2775 14.2775 15.0961 15.0961 15.6729 15.6729 16.0507 16.0507 17.0967 17.0967 k = 0.2206 0.8016-0.0974 ( 4472 PWs) bands (ev): -42.8009 -42.8009 -42.7703 -42.7703 -21.6798 -21.6798 -21.6597 -21.6597 -19.4154 -19.4154 -19.2738 -19.2738 -18.9873 -18.9873 -18.8629 -18.8629 4.7021 4.7021 4.7311 4.7311 5.0866 5.0866 5.2484 5.2484 7.4180 7.4180 7.8270 7.8270 7.9960 7.9960 8.3526 8.3526 9.0994 9.0994 9.2952 9.2952 11.9515 11.9515 12.4747 12.4747 13.5810 13.5810 14.2442 14.2442 15.0621 15.0621 15.6508 15.6508 16.0928 16.0928 17.1475 17.1475 k = 0.2059 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.8015 -42.8015 -42.7698 -42.7698 -21.6802 -21.6802 -21.6593 -21.6593 -19.4178 -19.4178 -19.2708 -19.2708 -18.9899 -18.9899 -18.8607 -18.8607 4.6930 4.6930 4.7247 4.7247 5.0927 5.0927 5.2587 5.2587 7.4086 7.4086 7.8273 7.8273 7.9984 7.9984 8.3635 8.3635 9.0891 9.0891 9.2909 9.2909 11.9552 11.9552 12.4991 12.4991 13.5253 13.5253 14.2127 14.2127 15.0289 15.0289 15.6305 15.6305 16.1331 16.1331 17.1966 17.1966 k = 0.1912 0.8016-0.0974 ( 4466 PWs) bands (ev): -42.8020 -42.8020 -42.7692 -42.7692 -21.6805 -21.6805 -21.6589 -21.6589 -19.4201 -19.4201 -19.2679 -19.2679 -18.9923 -18.9923 -18.8586 -18.8586 4.6844 4.6844 4.7187 4.7187 5.0984 5.0984 5.2686 5.2686 7.3997 7.3997 7.8269 7.8269 8.0013 8.0013 8.3740 8.3740 9.0792 9.0792 9.2865 9.2865 11.9591 11.9591 12.5227 12.5227 13.4731 13.4731 14.1831 14.1831 14.9968 14.9968 15.6121 15.6121 16.1714 16.1714 17.2219 17.2219 k = 0.1765 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.8025 -42.8025 -42.7687 -42.7687 -21.6809 -21.6809 -21.6586 -21.6586 -19.4223 -19.4223 -19.2653 -19.2653 -18.9946 -18.9946 -18.8566 -18.8566 4.6764 4.6764 4.7131 4.7131 5.1039 5.1039 5.2778 5.2778 7.3914 7.3914 7.8261 7.8261 8.0046 8.0046 8.3840 8.3840 9.0697 9.0697 9.2822 9.2822 11.9633 11.9633 12.5454 12.5454 13.4244 13.4244 14.1555 14.1555 14.9660 14.9660 15.5954 15.5954 16.2075 16.2075 17.1915 17.1915 k = 0.1618 0.8016-0.0974 ( 4464 PWs) bands (ev): -42.8030 -42.8030 -42.7683 -42.7683 -21.6812 -21.6812 -21.6583 -21.6583 -19.4243 -19.4243 -19.2628 -19.2628 -18.9968 -18.9968 -18.8548 -18.8548 4.6689 4.6689 4.7078 4.7078 5.1089 5.1089 5.2864 5.2864 7.3836 7.3836 7.8250 7.8250 8.0081 8.0081 8.3934 8.3934 9.0606 9.0606 9.2780 9.2780 11.9676 11.9676 12.5671 12.5671 13.3794 13.3794 14.1300 14.1300 14.9368 14.9368 15.5804 15.5804 16.2414 16.2414 17.1586 17.1586 k = 0.1471 0.8016-0.0974 ( 4468 PWs) bands (ev): -42.8034 -42.8034 -42.7678 -42.7678 -21.6814 -21.6814 -21.6580 -21.6580 -19.4261 -19.4261 -19.2605 -19.2605 -18.9988 -18.9988 -18.8531 -18.8531 4.6620 4.6620 4.7029 4.7029 5.1136 5.1136 5.2943 5.2943 7.3764 7.3764 7.8237 7.8237 8.0116 8.0116 8.4022 8.4022 9.0522 9.0522 9.2739 9.2739 11.9718 11.9718 12.5875 12.5875 13.3380 13.3380 14.1065 14.1065 14.9093 14.9093 15.5671 15.5671 16.2728 16.2728 17.1272 17.1272 k = 0.1324 0.8016-0.0974 ( 4472 PWs) bands (ev): -42.8038 -42.8038 -42.7675 -42.7675 -21.6817 -21.6817 -21.6577 -21.6577 -19.4278 -19.4278 -19.2583 -19.2583 -19.0006 -19.0006 -18.8516 -18.8516 4.6557 4.6557 4.6985 4.6985 5.1179 5.1179 5.3016 5.3016 7.3699 7.3699 7.8222 7.8222 8.0151 8.0151 8.4104 8.4104 9.0443 9.0443 9.2700 9.2700 11.9760 11.9760 12.6067 12.6067 13.3004 13.3004 14.0851 14.0851 14.8837 14.8837 15.5552 15.5552 16.3016 16.3016 17.0980 17.0980 k = 0.1176 0.8016-0.0974 ( 4478 PWs) bands (ev): -42.8042 -42.8042 -42.7671 -42.7671 -21.6819 -21.6819 -21.6575 -21.6575 -19.4293 -19.4293 -19.2564 -19.2564 -19.0023 -19.0023 -18.8502 -18.8502 4.6500 4.6500 4.6945 4.6945 5.1217 5.1217 5.3081 5.3081 7.3639 7.3639 7.8207 7.8207 8.0184 8.0184 8.4179 8.4179 9.0371 9.0371 9.2664 9.2664 11.9801 11.9801 12.6243 12.6243 13.2666 13.2666 14.0660 14.0660 14.8602 14.8602 15.5449 15.5449 16.3277 16.3277 17.0712 17.0712 k = 0.1029 0.8016-0.0974 ( 4486 PWs) bands (ev): -42.8045 -42.8045 -42.7668 -42.7668 -21.6821 -21.6821 -21.6573 -21.6573 -19.4306 -19.4306 -19.2547 -19.2547 -19.0038 -19.0038 -18.8490 -18.8490 4.6450 4.6450 4.6909 4.6909 5.1251 5.1251 5.3140 5.3140 7.3587 7.3587 7.8192 7.8192 8.0216 8.0216 8.4246 8.4246 9.0306 9.0306 9.2631 9.2631 11.9838 11.9838 12.6403 12.6403 13.2367 13.2367 14.0490 14.0490 14.8391 14.8391 15.5359 15.5359 16.3509 16.3509 17.0471 17.0471 k = 0.0882 0.8016-0.0974 ( 4486 PWs) bands (ev): -42.8048 -42.8048 -42.7665 -42.7665 -21.6823 -21.6823 -21.6571 -21.6571 -19.4317 -19.4317 -19.2532 -19.2532 -19.0051 -19.0051 -18.8479 -18.8479 4.6406 4.6406 4.6878 4.6878 5.1281 5.1281 5.3191 5.3191 7.3541 7.3541 7.8179 7.8179 8.0244 8.0244 8.4305 8.4305 9.0249 9.0249 9.2601 9.2601 11.9873 11.9873 12.6544 12.6544 13.2106 13.2106 14.0342 14.0342 14.8203 14.8203 15.5282 15.5282 16.3713 16.3713 17.0259 17.0259 k = 0.0735 0.8016-0.0974 ( 4492 PWs) bands (ev): -42.8050 -42.8050 -42.7663 -42.7663 -21.6825 -21.6825 -21.6570 -21.6570 -19.4327 -19.4327 -19.2519 -19.2519 -19.0062 -19.0062 -18.8470 -18.8470 4.6368 4.6368 4.6852 4.6852 5.1307 5.1307 5.3234 5.3234 7.3502 7.3502 7.8167 7.8167 8.0268 8.0268 8.4356 8.4356 9.0200 9.0200 9.2576 9.2576 11.9904 11.9904 12.6667 12.6667 13.1884 13.1884 14.0217 14.0217 14.8042 14.8042 15.5219 15.5219 16.3886 16.3886 17.0077 17.0077 k = 0.0588 0.8016-0.0974 ( 4494 PWs) bands (ev): -42.8052 -42.8052 -42.7661 -42.7661 -21.6826 -21.6826 -21.6568 -21.6568 -19.4335 -19.4335 -19.2508 -19.2508 -19.0071 -19.0071 -18.8463 -18.8463 4.6338 4.6338 4.6830 4.6830 5.1328 5.1328 5.3270 5.3270 7.3469 7.3469 7.8156 7.8156 8.0289 8.0289 8.4399 8.4399 9.0159 9.0159 9.2554 9.2554 11.9930 11.9930 12.6769 12.6769 13.1702 13.1702 14.0115 14.0115 14.7908 14.7908 15.5167 15.5167 16.4029 16.4029 16.9927 16.9927 k = 0.0441 0.8016-0.0974 ( 4496 PWs) bands (ev): -42.8053 -42.8053 -42.7660 -42.7660 -21.6827 -21.6827 -21.6567 -21.6567 -19.4341 -19.4341 -19.2500 -19.2500 -19.0079 -19.0079 -18.8457 -18.8457 4.6314 4.6314 4.6813 4.6813 5.1345 5.1345 5.3298 5.3298 7.3444 7.3444 7.8148 7.8148 8.0305 8.0305 8.4432 8.4432 9.0126 9.0126 9.2537 9.2537 11.9951 11.9951 12.6849 12.6849 13.1560 13.1560 14.0035 14.0035 14.7802 14.7802 15.5128 15.5128 16.4141 16.4141 16.9809 16.9809 k = 0.0294 0.8016-0.0974 ( 4492 PWs) bands (ev): -42.8054 -42.8054 -42.7659 -42.7659 -21.6827 -21.6827 -21.6567 -21.6567 -19.4346 -19.4346 -19.2494 -19.2494 -19.0084 -19.0084 -18.8453 -18.8453 4.6297 4.6297 4.6801 4.6801 5.1356 5.1356 5.3318 5.3318 7.3426 7.3426 7.8142 7.8142 8.0317 8.0317 8.4456 8.4456 9.0103 9.0103 9.2525 9.2525 11.9966 11.9966 12.6907 12.6907 13.1459 13.1459 13.9978 13.9978 14.7726 14.7726 15.5100 15.5100 16.4221 16.4221 16.9725 16.9725 k = 0.0147 0.8016-0.0974 ( 4484 PWs) bands (ev): -42.8055 -42.8055 -42.7658 -42.7658 -21.6828 -21.6828 -21.6566 -21.6566 -19.4349 -19.4349 -19.2490 -19.2490 -19.0087 -19.0087 -18.8450 -18.8450 4.6287 4.6287 4.6793 4.6793 5.1363 5.1363 5.3330 5.3330 7.3416 7.3416 7.8138 7.8138 8.0324 8.0324 8.4471 8.4471 9.0089 9.0089 9.2517 9.2517 11.9975 11.9975 12.6942 12.6942 13.1397 13.1397 13.9943 13.9943 14.7680 14.7680 15.5083 15.5083 16.4269 16.4269 16.9674 16.9674 k = 0.0000 0.8016-0.0974 ( 4480 PWs) bands (ev): -42.8055 -42.8055 -42.7658 -42.7658 -21.6828 -21.6828 -21.6566 -21.6566 -19.4350 -19.4350 -19.2489 -19.2489 -19.0088 -19.0088 -18.8450 -18.8450 4.6283 4.6283 4.6791 4.6791 5.1366 5.1366 5.3334 5.3334 7.3412 7.3412 7.8137 7.8137 8.0327 8.0327 8.4476 8.4476 9.0084 9.0084 9.2515 9.2515 11.9978 11.9978 12.6954 12.6954 13.1377 13.1377 13.9932 13.9932 14.7665 14.7665 15.5078 15.5078 16.4285 16.4285 16.9657 16.9657 k = 0.0000 0.8016-0.0974 ( 4480 PWs) bands (ev): -42.8055 -42.8055 -42.7658 -42.7658 -21.6828 -21.6828 -21.6566 -21.6566 -19.4350 -19.4350 -19.2489 -19.2489 -19.0088 -19.0088 -18.8450 -18.8450 4.6283 4.6283 4.6791 4.6791 5.1366 5.1366 5.3334 5.3334 7.3412 7.3412 7.8137 7.8137 8.0327 8.0327 8.4476 8.4476 9.0084 9.0084 9.2515 9.2515 11.9978 11.9978 12.6954 12.6954 13.1377 13.1377 13.9932 13.9932 14.7665 14.7665 15.5078 15.5078 16.4285 16.4285 16.9657 16.9657 k = 0.0000 0.8033-0.0828 ( 4484 PWs) bands (ev): -42.8055 -42.8055 -42.7658 -42.7658 -21.6828 -21.6828 -21.6566 -21.6566 -19.4349 -19.4349 -19.2490 -19.2490 -19.0087 -19.0087 -18.8450 -18.8450 4.6285 4.6285 4.6796 4.6796 5.1363 5.1363 5.3337 5.3337 7.3411 7.3411 7.8140 7.8140 8.0319 8.0319 8.4478 8.4478 9.0083 9.0083 9.2514 9.2514 11.9987 11.9987 12.6951 12.6951 13.1391 13.1391 13.9937 13.9937 14.7666 14.7666 15.5075 15.5075 16.4283 16.4283 16.9624 16.9624 k = 0.0000 0.8051-0.0682 ( 4489 PWs) bands (ev): -42.8055 -42.8055 -42.7658 -42.7658 -21.6828 -21.6828 -21.6565 -21.6565 -19.4347 -19.4347 -19.2492 -19.2492 -19.0086 -19.0086 -18.8452 -18.8452 4.6289 4.6289 4.6812 4.6812 5.1353 5.1353 5.3348 5.3348 7.3409 7.3409 7.8147 7.8147 8.0295 8.0295 8.4485 8.4485 9.0077 9.0077 9.2512 9.2512 12.0013 12.0013 12.6942 12.6942 13.1434 13.1434 13.9953 13.9953 14.7670 14.7670 15.5066 15.5066 16.4278 16.4278 16.9526 16.9526 k = 0.0000 0.8069-0.0536 ( 4485 PWs) bands (ev): -42.8055 -42.8055 -42.7659 -42.7659 -21.6828 -21.6828 -21.6564 -21.6564 -19.4344 -19.4344 -19.2495 -19.2495 -19.0083 -19.0083 -18.8456 -18.8456 4.6297 4.6297 4.6837 4.6837 5.1337 5.1337 5.3365 5.3365 7.3406 7.3406 7.8160 7.8160 8.0256 8.0256 8.4495 8.4495 9.0069 9.0069 9.2509 9.2509 12.0055 12.0055 12.6928 12.6928 13.1504 13.1504 13.9978 13.9978 14.7675 14.7675 15.5052 15.5052 16.4268 16.4268 16.9365 16.9365 k = 0.0000 0.8087-0.0390 ( 4485 PWs) bands (ev): -42.8055 -42.8055 -42.7660 -42.7660 -21.6827 -21.6827 -21.6563 -21.6563 -19.4340 -19.4340 -19.2499 -19.2499 -19.0080 -19.0080 -18.8460 -18.8460 4.6308 4.6308 4.6873 4.6873 5.1315 5.1315 5.3389 5.3389 7.3402 7.3402 7.8178 7.8178 8.0203 8.0203 8.4510 8.4510 9.0057 9.0057 9.2504 9.2504 12.0115 12.0115 12.6909 12.6909 13.1602 13.1602 14.0014 14.0014 14.7683 14.7683 15.5033 15.5033 16.4254 16.4254 16.9147 16.9147 k = 0.0000 0.8104-0.0244 ( 4477 PWs) bands (ev): -42.8054 -42.8054 -42.7662 -42.7662 -21.6827 -21.6827 -21.6561 -21.6561 -19.4335 -19.4335 -19.2505 -19.2505 -19.0076 -19.0076 -18.8466 -18.8466 4.6322 4.6322 4.6918 4.6918 5.1287 5.1287 5.3419 5.3419 7.3397 7.3397 7.8201 7.8201 8.0135 8.0135 8.4528 8.4528 9.0042 9.0042 9.2498 9.2498 12.0190 12.0190 12.6887 12.6887 13.1724 13.1724 14.0059 14.0059 14.7692 14.7692 15.5009 15.5009 16.4234 16.4234 16.8876 16.8876 k = 0.0000 0.8122-0.0098 ( 4480 PWs) bands (ev): -42.8054 -42.8054 -42.7663 -42.7663 -21.6826 -21.6826 -21.6558 -21.6558 -19.4329 -19.4329 -19.2511 -19.2511 -19.0070 -19.0070 -18.8474 -18.8474 4.6340 4.6340 4.6971 4.6971 5.1254 5.1254 5.3454 5.3454 7.3391 7.3391 7.8228 7.8228 8.0055 8.0055 8.4548 8.4548 9.0023 9.0023 9.2491 9.2491 12.0282 12.0282 12.6862 12.6862 13.1872 13.1872 14.0114 14.0114 14.7703 14.7703 15.4981 15.4981 16.4205 16.4205 16.8560 16.8560 k = 0.0000 0.8140 0.0048 ( 4482 PWs) bands (ev): -42.8054 -42.8054 -42.7665 -42.7665 -21.6826 -21.6826 -21.6555 -21.6555 -19.4322 -19.4322 -19.2519 -19.2519 -19.0064 -19.0064 -18.8482 -18.8482 4.6362 4.6362 4.7033 4.7033 5.1217 5.1217 5.3495 5.3495 7.3383 7.3383 7.8259 7.8259 7.9964 7.9964 8.4571 8.4571 9.0001 9.0001 9.2483 9.2483 12.0390 12.0390 12.6835 12.6835 13.2042 13.2042 14.0178 14.0178 14.7713 14.7713 15.4950 15.4950 16.4167 16.4167 16.8208 16.8208 k = 0.0000 0.8158 0.0193 ( 4479 PWs) bands (ev): -42.8053 -42.8053 -42.7667 -42.7667 -21.6825 -21.6825 -21.6552 -21.6552 -19.4313 -19.4313 -19.2528 -19.2528 -19.0056 -19.0056 -18.8492 -18.8492 4.6388 4.6388 4.7103 4.7103 5.1176 5.1176 5.3540 5.3540 7.3375 7.3375 7.8294 7.8294 7.9862 7.9862 8.4595 8.4595 8.9977 8.9977 9.2473 9.2473 12.0513 12.0513 12.6808 12.6808 13.2234 13.2234 14.0250 14.0250 14.7724 14.7724 15.4917 15.4917 16.4113 16.4113 16.7830 16.7830 k = 0.0000 0.8175 0.0339 ( 4480 PWs) bands (ev): -42.8053 -42.8053 -42.7670 -42.7670 -21.6825 -21.6825 -21.6548 -21.6548 -19.4304 -19.4304 -19.2539 -19.2539 -19.0048 -19.0048 -18.8503 -18.8503 4.6417 4.6417 4.7179 4.7179 5.1131 5.1131 5.3589 5.3589 7.3366 7.3366 7.8330 7.8330 7.9753 7.9753 8.4620 8.4620 8.9949 8.9949 9.2462 9.2462 12.0650 12.0650 12.6781 12.6781 13.2446 13.2446 14.0331 14.0331 14.7733 14.7733 15.4883 15.4883 16.4039 16.4039 16.7438 16.7438 k = 0.0000 0.8193 0.0485 ( 4480 PWs) bands (ev): -42.8053 -42.8053 -42.7673 -42.7673 -21.6824 -21.6824 -21.6544 -21.6544 -19.4294 -19.4294 -19.2550 -19.2550 -19.0039 -19.0039 -18.8515 -18.8515 4.6450 4.6450 4.7262 4.7262 5.1084 5.1084 5.3642 5.3642 7.3357 7.3357 7.8367 7.8367 7.9638 7.9638 8.4645 8.4645 8.9919 8.9919 9.2451 9.2451 12.0801 12.0801 12.6755 12.6755 13.2678 13.2678 14.0419 14.0419 14.7741 14.7741 15.4850 15.4850 16.3936 16.3937 16.7046 16.7047 k = 0.0000 0.8211 0.0631 ( 4477 PWs) bands (ev): -42.8052 -42.8052 -42.7676 -42.7676 -21.6823 -21.6823 -21.6539 -21.6539 -19.4282 -19.4282 -19.2562 -19.2562 -19.0029 -19.0029 -18.8528 -18.8528 4.6486 4.6486 4.7350 4.7350 5.1036 5.1036 5.3698 5.3698 7.3346 7.3346 7.8403 7.8403 7.9521 7.9521 8.4670 8.4670 8.9886 8.9886 9.2438 9.2438 12.0966 12.0966 12.6730 12.6730 13.2926 13.2926 14.0514 14.0514 14.7745 14.7745 15.4818 15.4818 16.3793 16.3793 16.6674 16.6674 k = 0.0000 0.8229 0.0777 ( 4480 PWs) bands (ev): -42.8052 -42.8052 -42.7679 -42.7679 -21.6822 -21.6822 -21.6534 -21.6534 -19.4270 -19.4270 -19.2575 -19.2575 -19.0018 -19.0018 -18.8542 -18.8542 4.6525 4.6525 4.7443 4.7443 5.0986 5.0986 5.3757 5.3757 7.3336 7.3336 7.8431 7.8431 7.9408 7.9408 8.4694 8.4694 8.9851 8.9851 9.2424 9.2424 12.1143 12.1143 12.6708 12.6708 13.3191 13.3191 14.0615 14.0615 14.7745 14.7745 15.4789 15.4789 16.3595 16.3595 16.6339 16.6339 k = 0.0000 0.8246 0.0923 ( 4480 PWs) bands (ev): -42.8051 -42.8051 -42.7683 -42.7683 -21.6821 -21.6821 -21.6529 -21.6529 -19.4257 -19.4257 -19.2589 -19.2589 -19.0006 -19.0006 -18.8558 -18.8558 4.6568 4.6568 4.7539 4.7539 5.0936 5.0936 5.3818 5.3818 7.3325 7.3325 7.8447 7.8447 7.9305 7.9305 8.4716 8.4716 8.9814 8.9814 9.2409 9.2409 12.1331 12.1331 12.6688 12.6688 13.3471 13.3471 14.0721 14.0721 14.7740 14.7740 15.4765 15.4765 16.3333 16.3333 16.6058 16.6058 k = 0.0000 0.8264 0.1069 ( 4477 PWs) bands (ev): -42.8051 -42.8051 -42.7687 -42.7687 -21.6820 -21.6820 -21.6523 -21.6523 -19.4243 -19.4243 -19.2604 -19.2604 -18.9993 -18.9993 -18.8574 -18.8574 4.6612 4.6612 4.7638 4.7638 5.0887 5.0887 5.3882 5.3882 7.3313 7.3313 7.8437 7.8437 7.9226 7.9226 8.4738 8.4738 8.9776 8.9776 9.2394 9.2394 12.1530 12.1530 12.6671 12.6671 13.3764 13.3764 14.0832 14.0832 14.7728 14.7728 15.4747 15.4747 16.3002 16.3002 16.5839 16.5839 k = 0.0000 0.8282 0.1215 ( 4471 PWs) bands (ev): -42.8051 -42.8051 -42.7691 -42.7691 -21.6818 -21.6818 -21.6517 -21.6517 -19.4228 -19.4228 -19.2620 -19.2620 -18.9980 -18.9980 -18.8591 -18.8591 4.6659 4.6659 4.7737 4.7737 5.0841 5.0841 5.3947 5.3947 7.3302 7.3302 7.8392 7.8392 7.9181 7.9181 8.4757 8.4757 8.9735 8.9735 9.2378 9.2378 12.1739 12.1739 12.6656 12.6656 13.4070 13.4070 14.0946 14.0946 14.7708 14.7708 15.4737 15.4737 16.2609 16.2609 16.5682 16.5682 k = 0.0000 0.8299 0.1361 ( 4472 PWs) bands (ev): -42.8050 -42.8050 -42.7695 -42.7695 -21.6817 -21.6817 -21.6510 -21.6510 -19.4213 -19.4213 -19.2636 -19.2636 -18.9966 -18.9966 -18.8609 -18.8609 4.6707 4.6707 4.7835 4.7835 5.0800 5.0800 5.4013 5.4013 7.3290 7.3290 7.8308 7.8308 7.9176 7.9176 8.4775 8.4775 8.9693 8.9693 9.2361 9.2361 12.1957 12.1957 12.6644 12.6644 13.4387 13.4387 14.1062 14.1062 14.7679 14.7679 15.4736 15.4736 16.2169 16.2169 16.5577 16.5577 k = 0.0000 0.8317 0.1507 ( 4472 PWs) bands (ev): -42.8050 -42.8050 -42.7700 -42.7700 -21.6816 -21.6816 -21.6503 -21.6503 -19.4197 -19.4197 -19.2653 -19.2653 -18.9951 -18.9951 -18.8628 -18.8628 4.6757 4.6757 4.7931 4.7931 5.0764 5.0764 5.4080 5.4080 7.3278 7.3278 7.8190 7.8190 7.9204 7.9204 8.4790 8.4790 8.9650 8.9650 9.2344 9.2344 12.2182 12.2182 12.6635 12.6635 13.4714 13.4714 14.1179 14.1179 14.7639 14.7639 15.4746 15.4746 16.1697 16.1697 16.5514 16.5514 k = 0.0000 0.8335 0.1653 ( 4475 PWs) bands (ev): -42.8050 -42.8050 -42.7705 -42.7705 -21.6814 -21.6814 -21.6495 -21.6495 -19.4180 -19.4180 -19.2671 -19.2671 -18.9935 -18.9935 -18.8647 -18.8647 4.6808 4.6808 4.8020 4.8020 5.0737 5.0737 5.4148 5.4148 7.3266 7.3266 7.8049 7.8049 7.9257 7.9257 8.4803 8.4803 8.9606 8.9606 9.2326 9.2326 12.2414 12.2414 12.6628 12.6628 13.5049 13.5049 14.1297 14.1297 14.7588 14.7588 15.4768 15.4768 16.1205 16.1205 16.5483 16.5483 k = 0.0000 0.8353 0.1799 ( 4472 PWs) bands (ev): -42.8050 -42.8050 -42.7710 -42.7710 -21.6813 -21.6813 -21.6487 -21.6487 -19.4163 -19.4163 -19.2689 -19.2689 -18.9919 -18.9919 -18.8667 -18.8667 4.6858 4.6858 4.8101 4.8101 5.0721 5.0721 5.4216 5.4216 7.3254 7.3254 7.7893 7.7893 7.9326 7.9326 8.4814 8.4814 8.9561 8.9561 9.2308 9.2308 12.2652 12.2652 12.6624 12.6624 13.5391 13.5391 14.1414 14.1414 14.7524 14.7524 15.4802 15.4802 16.0706 16.0706 16.5479 16.5479 k = 0.0000 0.8370 0.1945 ( 4470 PWs) bands (ev): -42.8049 -42.8049 -42.7715 -42.7715 -21.6811 -21.6811 -21.6479 -21.6479 -19.4145 -19.4145 -19.2707 -19.2707 -18.9903 -18.9903 -18.8688 -18.8688 4.6908 4.6908 4.8171 4.8171 5.0719 5.0719 5.4284 5.4284 7.3242 7.3242 7.7727 7.7727 7.9407 7.9407 8.4822 8.4822 8.9517 8.9517 9.2289 9.2289 12.2894 12.2894 12.6621 12.6621 13.5738 13.5738 14.1528 14.1528 14.7448 14.7448 15.4850 15.4850 16.0207 16.0207 16.5496 16.5496 k = 0.0000 0.8388 0.2091 ( 4473 PWs) bands (ev): -42.8050 -42.8050 -42.7720 -42.7720 -21.6809 -21.6809 -21.6470 -21.6470 -19.4128 -19.4128 -19.2726 -19.2726 -18.9886 -18.9886 -18.8709 -18.8709 4.6957 4.6957 4.8227 4.8227 5.0734 5.0734 5.4352 5.4352 7.3229 7.3229 7.7554 7.7554 7.9498 7.9498 8.4828 8.4828 8.9472 8.9472 9.2271 9.2271 12.3139 12.3139 12.6619 12.6619 13.6088 13.6088 14.1640 14.1640 14.7359 14.7359 15.4911 15.4911 15.9716 15.9716 16.5533 16.5533 k = 0.0000 0.8406 0.2237 ( 4477 PWs) bands (ev): -42.8050 -42.8050 -42.7725 -42.7725 -21.6807 -21.6807 -21.6461 -21.6461 -19.4110 -19.4110 -19.2744 -19.2744 -18.9869 -18.9869 -18.8730 -18.8730 4.7004 4.7004 4.8267 4.8267 5.0768 5.0768 5.4420 5.4420 7.3216 7.3216 7.7378 7.7378 7.9595 7.9595 8.4831 8.4831 8.9427 8.9427 9.2252 9.2252 12.3386 12.3386 12.6618 12.6618 13.6439 13.6439 14.1746 14.1746 14.7257 14.7257 15.4984 15.4984 15.9237 15.9237 16.5587 16.5587 k = 0.0000 0.8424 0.2383 ( 4481 PWs) bands (ev): -42.8050 -42.8050 -42.7731 -42.7731 -21.6805 -21.6805 -21.6451 -21.6451 -19.4092 -19.4092 -19.2763 -19.2763 -18.9851 -18.9851 -18.8751 -18.8751 4.7048 4.7048 4.8290 4.8290 5.0822 5.0822 5.4487 5.4487 7.3203 7.3203 7.7200 7.7200 7.9698 7.9698 8.4832 8.4832 8.9383 8.9383 9.2233 9.2233 12.3633 12.3633 12.6617 12.6617 13.6789 13.6789 14.1848 14.1848 14.7142 14.7142 15.5070 15.5070 15.8775 15.8775 16.5659 16.5659 k = 0.0000 0.8441 0.2529 ( 4483 PWs) bands (ev): -42.8050 -42.8050 -42.7737 -42.7737 -21.6803 -21.6803 -21.6441 -21.6441 -19.4074 -19.4074 -19.2781 -19.2781 -18.9833 -18.9833 -18.8772 -18.8772 4.7087 4.7087 4.8295 4.8295 5.0897 5.0897 5.4554 5.4554 7.3188 7.3188 7.7022 7.7022 7.9807 7.9807 8.4832 8.4832 8.9339 8.9339 9.2214 9.2214 12.3879 12.3879 12.6616 12.6616 13.7136 13.7136 14.1943 14.1943 14.7015 14.7015 15.5166 15.5166 15.8335 15.8335 16.5748 16.5748 k = 0.0000 0.8459 0.2675 ( 4481 PWs) bands (ev): -42.8051 -42.8051 -42.7742 -42.7742 -21.6801 -21.6801 -21.6431 -21.6431 -19.4056 -19.4056 -19.2799 -19.2799 -18.9816 -18.9816 -18.8793 -18.8793 4.7120 4.7120 4.8285 4.8285 5.0993 5.0993 5.4619 5.4619 7.3173 7.3173 7.6844 7.6844 7.9920 7.9920 8.4829 8.4829 8.9297 8.9297 9.2195 9.2195 12.4123 12.4123 12.6614 12.6614 13.7477 13.7477 14.2031 14.2031 14.6877 14.6877 15.5270 15.5270 15.7918 15.7918 16.5853 16.5853 k = 0.0000 0.8477 0.2821 ( 4485 PWs) bands (ev): -42.8052 -42.8052 -42.7748 -42.7748 -21.6799 -21.6799 -21.6420 -21.6420 -19.4039 -19.4039 -19.2817 -19.2817 -18.9798 -18.9798 -18.8814 -18.8814 4.7145 4.7145 4.8262 4.8262 5.1107 5.1107 5.4683 5.4683 7.3157 7.3157 7.6667 7.6667 8.0037 8.0037 8.4824 8.4824 8.9256 8.9256 9.2176 9.2176 12.4362 12.4362 12.6611 12.6611 13.7808 13.7808 14.2111 14.2111 14.6729 14.6729 15.5380 15.5380 15.7529 15.7529 16.5970 16.5970 k = 0.0000 0.8495 0.2966 ( 4481 PWs) bands (ev): -42.8053 -42.8053 -42.7754 -42.7754 -21.6797 -21.6797 -21.6409 -21.6409 -19.4022 -19.4022 -19.2834 -19.2834 -18.9781 -18.9781 -18.8834 -18.8834 4.7160 4.7160 4.8230 4.8230 5.1238 5.1238 5.4746 5.4746 7.3138 7.3138 7.6494 7.6494 8.0157 8.0157 8.4817 8.4817 8.9216 8.9216 9.2158 9.2158 12.4596 12.4596 12.6606 12.6606 13.8127 13.8127 14.2185 14.2185 14.6573 14.6573 15.5492 15.5492 15.7168 15.7168 16.6056 16.6056 k = 0.0000 0.8512 0.3112 ( 4479 PWs) bands (ev): -42.8055 -42.8055 -42.7760 -42.7760 -21.6794 -21.6794 -21.6397 -21.6397 -19.4006 -19.4006 -19.2850 -19.2850 -18.9764 -18.9764 -18.8854 -18.8854 4.7162 4.7162 4.8193 4.8193 5.1384 5.1384 5.4808 5.4808 7.3118 7.3118 7.6324 7.6324 8.0281 8.0281 8.4809 8.4809 8.9178 8.9178 9.2140 9.2140 12.4822 12.4822 12.6600 12.6600 13.8430 13.8430 14.2251 14.2251 14.6409 14.6409 15.5604 15.5604 15.6838 15.6838 16.5858 16.5858 k = 0.0000 0.8530 0.3258 ( 4483 PWs) bands (ev): -42.8056 -42.8056 -42.7766 -42.7766 -21.6792 -21.6792 -21.6385 -21.6385 -19.3991 -19.3991 -19.2864 -19.2864 -18.9748 -18.9748 -18.8872 -18.8872 4.7148 4.7148 4.8157 4.8157 5.1541 5.1541 5.4868 5.4868 7.3094 7.3094 7.6160 7.6160 8.0408 8.0408 8.4799 8.4799 8.9142 8.9142 9.2122 9.2122 12.5037 12.5037 12.6591 12.6591 13.8713 13.8713 14.2312 14.2312 14.6239 14.6239 15.5710 15.5710 15.6542 15.6542 16.5561 16.5561 k = 0.0000 0.8548 0.3404 ( 4485 PWs) bands (ev): -42.8058 -42.8058 -42.7771 -42.7771 -21.6789 -21.6789 -21.6373 -21.6373 -19.3977 -19.3977 -19.2878 -19.2878 -18.9733 -18.9733 -18.8890 -18.8890 4.7114 4.7114 4.8125 4.8125 5.1708 5.1708 5.4926 5.4926 7.3067 7.3067 7.6001 7.6001 8.0538 8.0538 8.4788 8.4788 8.9109 8.9109 9.2104 9.2104 12.5238 12.5238 12.6582 12.6582 13.8973 13.8973 14.2368 14.2368 14.6065 14.6065 15.5806 15.5806 15.6279 15.6279 16.5291 16.5291 k = 0.0000 0.8566 0.3550 ( 4487 PWs) bands (ev): -42.8060 -42.8060 -42.7777 -42.7777 -21.6787 -21.6787 -21.6360 -21.6360 -19.3964 -19.3964 -19.2890 -19.2890 -18.9719 -18.9719 -18.8906 -18.8906 4.7060 4.7060 4.8100 4.8100 5.1883 5.1883 5.4983 5.4983 7.3035 7.3035 7.5850 7.5850 8.0671 8.0671 8.4775 8.4775 8.9077 8.9077 9.2087 9.2087 12.5422 12.5422 12.6573 12.6573 13.9203 13.9203 14.2421 14.2421 14.5889 14.5889 15.5881 15.5881 15.6058 15.6058 16.5060 16.5060 k = 0.0000 0.8583 0.3696 ( 4489 PWs) bands (ev): -42.8063 -42.8063 -42.7783 -42.7783 -21.6784 -21.6784 -21.6347 -21.6347 -19.3953 -19.3953 -19.2901 -19.2901 -18.9706 -18.9706 -18.8920 -18.8920 4.6985 4.6985 4.8085 4.8085 5.2063 5.2063 5.5038 5.5038 7.2997 7.2997 7.5707 7.5707 8.0805 8.0805 8.4762 8.4762 8.9048 8.9048 9.2070 9.2070 12.5582 12.5582 12.6569 12.6569 13.9402 13.9402 14.2474 14.2474 14.5713 14.5713 15.5831 15.5831 15.5977 15.5977 16.4876 16.4876 k = 0.5000 0.7448 0.5644 ( 4496 PWs) bands (ev): -42.7936 -42.7936 -42.7909 -42.7909 -21.6769 -21.6769 -21.6362 -21.6362 -19.3810 -19.3810 -19.3516 -19.3516 -18.9117 -18.9117 -18.9038 -18.9038 4.7434 4.7434 4.8443 4.8443 5.2279 5.2279 5.3309 5.3309 7.4621 7.4621 7.5118 7.5118 8.1125 8.1125 8.1715 8.1715 9.4065 9.4065 9.4079 9.4079 11.9848 11.9848 11.9857 11.9857 14.5546 14.5546 14.5578 14.5578 15.9079 15.9079 15.9134 15.9134 16.2935 16.2935 16.3038 16.3038 k = 0.5000 0.7302 0.5644 ( 4498 PWs) bands (ev): -42.7979 -42.7979 -42.7945 -42.7945 -21.6748 -21.6748 -21.6237 -21.6237 -19.3843 -19.3843 -19.3471 -19.3471 -18.9121 -18.9121 -18.9024 -18.9024 4.6936 4.6936 4.7946 4.7946 5.3071 5.3071 5.4109 5.4109 7.3979 7.3979 7.4497 7.4497 8.1618 8.1618 8.2249 8.2249 9.4046 9.4046 9.4066 9.4066 11.9686 11.9686 11.9691 11.9691 14.5537 14.5537 14.5575 14.5575 15.8924 15.8924 15.8989 15.8989 16.2747 16.2747 16.2857 16.2857 k = 0.5000 0.7156 0.5644 ( 4498 PWs) bands (ev): -42.8030 -42.8030 -42.7990 -42.7990 -21.6710 -21.6710 -21.6096 -21.6096 -19.3874 -19.3874 -19.3425 -19.3425 -18.9124 -18.9124 -18.9010 -18.9010 4.6476 4.6476 4.7485 4.7485 5.3895 5.3895 5.4939 5.4939 7.3311 7.3311 7.3838 7.3838 8.2120 8.2120 8.2778 8.2778 9.4026 9.4026 9.4053 9.4053 11.9485 11.9485 11.9485 11.9485 14.5526 14.5526 14.5570 14.5570 15.8721 15.8721 15.8797 15.8797 16.2551 16.2551 16.2666 16.2666 k = 0.5000 0.7010 0.5644 ( 4500 PWs) bands (ev): -42.8090 -42.8090 -42.8044 -42.8044 -21.6655 -21.6655 -21.5939 -21.5939 -19.3904 -19.3904 -19.3377 -19.3377 -18.9126 -18.9126 -18.8995 -18.8995 4.6055 4.6055 4.7062 4.7062 5.4748 5.4748 5.5797 5.5797 7.2627 7.2627 7.3156 7.3156 8.2614 8.2614 8.3289 8.3289 9.4006 9.4006 9.4041 9.4041 11.9243 11.9243 11.9247 11.9247 14.5508 14.5508 14.5558 14.5558 15.8478 15.8478 15.8567 15.8567 16.2354 16.2354 16.2472 16.2472 k = 0.5000 0.6864 0.5644 ( 4498 PWs) bands (ev): -42.8159 -42.8159 -42.8106 -42.8106 -21.6584 -21.6584 -21.5767 -21.5767 -19.3932 -19.3932 -19.3328 -19.3328 -18.9127 -18.9127 -18.8980 -18.8980 4.5673 4.5673 4.6678 4.6678 5.5629 5.5629 5.6683 5.6683 7.1934 7.1934 7.2461 7.2461 8.3087 8.3087 8.3775 8.3775 9.3988 9.3988 9.4033 9.4033 11.8968 11.8968 11.8977 11.8977 14.5475 14.5475 14.5533 14.5533 15.8204 15.8204 15.8306 15.8306 16.2161 16.2161 16.2281 16.2281 k = 0.5000 0.6718 0.5644 ( 4490 PWs) bands (ev): -42.8235 -42.8235 -42.8176 -42.8176 -21.6497 -21.6497 -21.5579 -21.5579 -19.3960 -19.3960 -19.3277 -19.3277 -18.9127 -18.9127 -18.8966 -18.8966 4.5331 4.5331 4.6334 4.6334 5.6535 5.6535 5.7593 5.7593 7.1236 7.1236 7.1758 7.1758 8.3533 8.3533 8.4227 8.4227 9.3975 9.3975 9.4031 9.4031 11.8666 11.8666 11.8680 11.8680 14.5423 14.5423 14.5488 14.5488 15.7909 15.7909 15.8024 15.8024 16.1978 16.1978 16.2100 16.2100 k = 0.5000 0.6572 0.5644 ( 4486 PWs) bands (ev): -42.8319 -42.8319 -42.8254 -42.8254 -21.6393 -21.6393 -21.5377 -21.5377 -19.3987 -19.3987 -19.3226 -19.3226 -18.9126 -18.9126 -18.8952 -18.8952 4.5031 4.5031 4.6032 4.6032 5.7464 5.7464 5.8527 5.8527 7.0538 7.0538 7.1052 7.1052 8.3944 8.3944 8.4641 8.4641 9.3969 9.3969 9.4039 9.4039 11.8341 11.8341 11.8358 11.8358 14.5342 14.5342 14.5417 14.5417 15.7602 15.7602 15.7729 15.7729 16.1810 16.1810 16.1934 16.1934 k = 0.5000 0.6426 0.5644 ( 4486 PWs) bands (ev): -42.8410 -42.8410 -42.8340 -42.8340 -21.6274 -21.6274 -21.5161 -21.5161 -19.4013 -19.4013 -19.3173 -19.3173 -18.9124 -18.9124 -18.8938 -18.8938 4.4772 4.4772 4.5771 4.5771 5.8414 5.8414 5.9481 5.9481 6.9841 6.9841 7.0349 7.0349 8.4315 8.4315 8.5010 8.5010 9.3973 9.3973 9.4057 9.4057 11.7997 11.7997 11.8018 11.8018 14.5227 14.5227 14.5313 14.5313 15.7293 15.7293 15.7429 15.7429 16.1663 16.1663 16.1790 16.1790 k = 0.5000 0.6280 0.5644 ( 4484 PWs) bands (ev): -42.8508 -42.8508 -42.8433 -42.8433 -21.6140 -21.6140 -21.4931 -21.4931 -19.4039 -19.4039 -19.3120 -19.3120 -18.9121 -18.9121 -18.8926 -18.8926 4.4555 4.4555 4.5552 4.5552 5.9382 5.9382 6.0453 6.0453 6.9151 6.9151 6.9651 6.9651 8.4642 8.4642 8.5331 8.5331 9.3987 9.3987 9.4089 9.4089 11.7640 11.7640 11.7664 11.7664 14.5071 14.5071 14.5169 14.5169 15.6991 15.6991 15.7134 15.7134 16.1537 16.1537 16.1669 16.1669 k = 0.5000 0.6134 0.5644 ( 4488 PWs) bands (ev): -42.8614 -42.8614 -42.8533 -42.8533 -21.5990 -21.5990 -21.4687 -21.4687 -19.4064 -19.4064 -19.3066 -19.3066 -18.9117 -18.9117 -18.8914 -18.8914 4.4381 4.4381 4.5375 4.5375 6.0363 6.0363 6.1437 6.1437 6.8472 6.8472 6.8964 6.8964 8.4920 8.4920 8.5600 8.5600 9.4014 9.4014 9.4136 9.4136 11.7272 11.7272 11.7299 11.7299 14.4869 14.4869 14.4979 14.4979 15.6705 15.6705 15.6852 15.6852 16.1437 16.1437 16.1574 16.1574 k = 0.5000 0.5988 0.5644 ( 4486 PWs) bands (ev): -42.8725 -42.8725 -42.8640 -42.8640 -21.5825 -21.5825 -21.4431 -21.4431 -19.4090 -19.4090 -19.3011 -19.3011 -18.9113 -18.9113 -18.8904 -18.8904 4.4249 4.4249 4.5241 4.5241 6.1350 6.1350 6.2423 6.2423 6.7810 6.7810 6.8299 6.8299 8.5149 8.5149 8.5815 8.5815 9.4053 9.4053 9.4198 9.4198 11.6900 11.6900 11.6928 11.6928 14.4615 14.4615 14.4740 14.4740 15.6441 15.6441 15.6590 15.6590 16.1361 16.1361 16.1505 16.1505 k = 0.5000 0.5842 0.5644 ( 4484 PWs) bands (ev): -42.8843 -42.8843 -42.8753 -42.8753 -21.5646 -21.5646 -21.4162 -21.4162 -19.4115 -19.4115 -19.2956 -19.2956 -18.9108 -18.9108 -18.8896 -18.8896 4.4161 4.4161 4.5150 4.5150 6.2328 6.2328 6.3391 6.3391 6.7181 6.7181 6.7675 6.7675 8.5327 8.5327 8.5977 8.5977 9.4105 9.4105 9.4274 9.4274 11.6525 11.6525 11.6556 11.6556 14.4308 14.4308 14.4448 14.4448 15.6206 15.6206 15.6354 15.6354 16.1312 16.1312 16.1464 16.1464 k = 0.5000 0.5696 0.5644 ( 4490 PWs) bands (ev): -42.8966 -42.8966 -42.8872 -42.8872 -21.5453 -21.5453 -21.3881 -21.3881 -19.4142 -19.4142 -19.2901 -19.2901 -18.9102 -18.9102 -18.8889 -18.8889 4.4116 4.4116 4.5103 4.5103 6.3256 6.3256 6.4278 6.4278 6.6625 6.6625 6.7155 6.7155 8.5454 8.5454 8.6085 8.6085 9.4169 9.4169 9.4362 9.4362 11.6154 11.6154 11.6185 11.6185 14.3947 14.3947 14.4103 14.4103 15.6002 15.6002 15.6147 15.6147 16.1287 16.1287 16.1448 16.1448 k = 0.5000 0.5550 0.5644 ( 4480 PWs) bands (ev): -42.9094 -42.9094 -42.8996 -42.8996 -21.5247 -21.5247 -21.3589 -21.3589 -19.4169 -19.4169 -19.2847 -19.2847 -18.9097 -18.9097 -18.8885 -18.8885 4.4114 4.4114 4.5098 4.5098 6.3997 6.3997 6.4864 6.4864 6.6279 6.6279 6.6959 6.6959 8.5533 8.5533 8.6143 8.6143 9.4241 9.4241 9.4459 9.4459 11.5788 11.5788 11.5820 11.5820 14.3533 14.3533 14.3707 14.3707 15.5831 15.5831 15.5972 15.5972 16.1286 16.1286 16.1456 16.1456 k = 0.5000 0.5404 0.5644 ( 4482 PWs) bands (ev): -42.9227 -42.9227 -42.9126 -42.9126 -21.5028 -21.5028 -21.3286 -21.3286 -19.4198 -19.4198 -19.2793 -19.2793 -18.9091 -18.9091 -18.8882 -18.8882 4.4156 4.4156 4.5138 4.5138 6.4209 6.4209 6.4818 6.4818 6.6483 6.6483 6.7414 6.7414 8.5566 8.5566 8.6154 8.6154 9.4319 9.4319 9.4561 9.4561 11.5431 11.5431 11.5463 11.5463 14.3071 14.3071 14.3261 14.3261 15.5690 15.5690 15.5827 15.5827 16.1307 16.1307 16.1487 16.1487 k = 0.5000 0.5257 0.5644 ( 4476 PWs) bands (ev): -42.9364 -42.9364 -42.9260 -42.9260 -21.4795 -21.4795 -21.2974 -21.2974 -19.4227 -19.4227 -19.2740 -19.2740 -18.9084 -18.9084 -18.8883 -18.8883 4.4241 4.4241 4.5220 4.5220 6.3887 6.3887 6.4373 6.4373 6.7239 6.7239 6.8288 6.8288 8.5556 8.5556 8.6122 8.6122 9.4399 9.4399 9.4664 9.4664 11.5086 11.5086 11.5118 11.5118 14.2563 14.2563 14.2770 14.2770 15.5578 15.5578 15.5711 15.5711 16.1347 16.1347 16.1537 16.1537 k = 0.5000 0.5111 0.5644 ( 4470 PWs) bands (ev): -42.9505 -42.9505 -42.9398 -42.9398 -21.4551 -21.4551 -21.2652 -21.2652 -19.4259 -19.4259 -19.2688 -19.2688 -18.9078 -18.9078 -18.8885 -18.8885 4.4370 4.4370 4.5345 4.5345 6.3374 6.3374 6.3811 6.3811 6.8206 6.8206 6.9296 6.9296 8.5510 8.5510 8.6053 8.6053 9.4476 9.4476 9.4762 9.4762 11.4756 11.4756 11.4786 11.4786 14.2017 14.2017 14.2239 14.2239 15.5490 15.5490 15.5620 15.5620 16.1401 16.1401 16.1601 16.1601 k = 0.5000 0.4965 0.5644 ( 4468 PWs) bands (ev): -42.9649 -42.9649 -42.9539 -42.9539 -21.4295 -21.4295 -21.2321 -21.2321 -19.4293 -19.4293 -19.2639 -19.2639 -18.9072 -18.9072 -18.8891 -18.8891 4.4541 4.4541 4.5513 4.5513 6.2807 6.2807 6.3217 6.3217 6.9242 6.9242 7.0353 7.0353 8.5431 8.5431 8.5953 8.5953 9.4548 9.4548 9.4852 9.4852 11.4442 11.4442 11.4471 11.4471 14.1436 14.1436 14.1674 14.1674 15.5424 15.5424 15.5550 15.5550 16.1464 16.1464 16.1674 16.1674 k = 0.5000 0.4819 0.5644 ( 4468 PWs) bands (ev): -42.9795 -42.9795 -42.9684 -42.9684 -21.4029 -21.4029 -21.1982 -21.1982 -19.4329 -19.4329 -19.2591 -19.2591 -18.9065 -18.9065 -18.8899 -18.8899 4.4755 4.4755 4.5724 4.5724 6.2227 6.2227 6.2617 6.2617 7.0305 7.0305 7.1428 7.1428 8.5324 8.5324 8.5825 8.5825 9.4610 9.4610 9.4929 9.4929 11.4147 11.4147 11.4173 11.4173 14.0827 14.0827 14.1080 14.1080 15.5372 15.5372 15.5498 15.5498 16.1527 16.1527 16.1747 16.1747 k = 0.5000 0.4673 0.5644 ( 4466 PWs) bands (ev): -42.9944 -42.9944 -42.9832 -42.9832 -21.3752 -21.3752 -21.1635 -21.1635 -19.4368 -19.4368 -19.2546 -19.2546 -18.9059 -18.9059 -18.8910 -18.8910 4.5011 4.5011 4.5975 4.5975 6.1649 6.1649 6.2020 6.2020 7.1378 7.1378 7.2510 7.2510 8.5197 8.5197 8.5677 8.5677 9.4660 9.4660 9.4990 9.4990 11.3872 11.3872 11.3895 11.3895 14.0195 14.0195 14.0462 14.0462 15.5332 15.5332 15.5458 15.5458 16.1580 16.1580 16.1809 16.1809 k = 0.5000 0.4527 0.5644 ( 4460 PWs) bands (ev): -43.0095 -43.0095 -42.9981 -42.9981 -21.3464 -21.3464 -21.1282 -21.1282 -19.4410 -19.4410 -19.2504 -19.2504 -18.9053 -18.9053 -18.8923 -18.8923 4.5309 4.5309 4.6267 4.6267 6.1080 6.1080 6.1434 6.1434 7.2450 7.2450 7.3588 7.3588 8.5054 8.5054 8.5513 8.5513 9.4694 9.4694 9.5034 9.5034 11.3617 11.3617 11.3637 11.3637 13.9545 13.9545 13.9825 13.9825 15.5297 15.5297 15.5426 15.5426 16.1605 16.1605 16.1845 16.1845 k = 0.5000 0.4381 0.5644 ( 4462 PWs) bands (ev): -43.0247 -43.0247 -43.0133 -43.0133 -21.3168 -21.3168 -21.0923 -21.0923 -19.4455 -19.4455 -19.2466 -19.2466 -18.9047 -18.9047 -18.8939 -18.8939 4.5646 4.5646 4.6599 4.6599 6.0523 6.0523 6.0860 6.0860 7.3514 7.3514 7.4655 7.4655 8.4902 8.4902 8.5340 8.5340 9.4710 9.4710 9.5057 9.5057 11.3383 11.3383 11.3400 11.3400 13.8880 13.8880 13.9172 13.9172 15.5260 15.5260 15.5394 15.5394 16.1583 16.1583 16.1834 16.1834 k = 0.5000 0.4235 0.5644 ( 4462 PWs) bands (ev): -43.0400 -43.0400 -43.0285 -43.0285 -21.2863 -21.2863 -21.0559 -21.0559 -19.4504 -19.4504 -19.2433 -19.2433 -18.9041 -18.9041 -18.8958 -18.8958 4.6023 4.6023 4.6968 4.6968 5.9982 5.9982 6.0300 6.0300 7.4561 7.4561 7.5701 7.5701 8.4750 8.4750 8.5163 8.5163 9.4709 9.4709 9.5058 9.5058 11.3172 11.3172 11.3185 11.3185 13.8204 13.8204 13.8509 13.8509 15.5214 15.5214 15.5358 15.5358 16.1489 16.1489 16.1749 16.1749 k = 0.5000 0.4089 0.5644 ( 4464 PWs) bands (ev): -43.0553 -43.0553 -43.0438 -43.0438 -21.2550 -21.2550 -21.0191 -21.0191 -19.4557 -19.4557 -19.2405 -19.2405 -18.9036 -18.9036 -18.8978 -18.8978 4.6437 4.6437 4.7373 4.7373 5.9460 5.9460 5.9758 5.9758 7.5584 7.5584 7.6717 7.6717 8.4606 8.4606 8.4991 8.4991 9.4688 9.4688 9.5038 9.5038 11.2982 11.2982 11.2992 11.2992 13.7521 13.7521 13.7837 13.7837 15.5151 15.5151 15.5307 15.5307 16.1298 16.1298 16.1562 16.1562 k = 0.5000 0.3943 0.5644 ( 4464 PWs) bands (ev): -43.0706 -43.0706 -43.0591 -43.0591 -21.2229 -21.2229 -20.9819 -20.9819 -19.4614 -19.4614 -19.2382 -19.2382 -18.9030 -18.9030 -18.9001 -18.9001 4.6886 4.6886 4.7812 4.7812 5.8957 5.8957 5.9235 5.9235 7.6572 7.6572 7.7687 7.7687 8.4484 8.4484 8.4832 8.4832 9.4648 9.4648 9.4996 9.4996 11.2814 11.2814 11.2820 11.2820 13.6833 13.6833 13.7159 13.7159 15.5058 15.5058 15.5230 15.5230 16.0995 16.0995 16.1257 16.1257 k = 0.5000 0.3797 0.5644 ( 4462 PWs) bands (ev): -43.0858 -43.0858 -43.0744 -43.0744 -21.1902 -21.1902 -20.9445 -20.9445 -19.4675 -19.4675 -19.2367 -19.2367 -18.9025 -18.9025 -18.9025 -18.9025 4.7369 4.7369 4.8281 4.8281 5.8479 5.8479 5.8734 5.8734 7.7510 7.7510 7.8591 7.8591 8.4404 8.4404 8.4699 8.4699 9.4589 9.4589 9.4932 9.4932 11.2668 11.2668 11.2671 11.2671 13.6141 13.6141 13.6478 13.6478 15.4918 15.4918 15.5112 15.5112 16.0592 16.0592 16.0839 16.0839 k = 0.5000 0.3651 0.5644 ( 4462 PWs) bands (ev): -43.1009 -43.1009 -43.0896 -43.0896 -21.1569 -21.1569 -20.9068 -20.9068 -19.4740 -19.4740 -19.2359 -19.2359 -18.9049 -18.9049 -18.9021 -18.9021 4.7881 4.7881 4.8776 4.8776 5.8027 5.8027 5.8256 5.8256 7.8380 7.8380 7.9398 7.9398 8.4392 8.4392 8.4608 8.4608 9.4512 9.4512 9.4848 9.4848 11.2542 11.2542 11.2543 11.2543 13.5448 13.5448 13.5794 13.5794 15.4714 15.4714 15.4935 15.4935 16.0130 16.0130 16.0347 16.0347 k = 0.5000 0.3505 0.5644 ( 4468 PWs) bands (ev): -43.1158 -43.1158 -43.1046 -43.1046 -21.1230 -21.1230 -20.8692 -20.8692 -19.4810 -19.4810 -19.2359 -19.2359 -18.9074 -18.9074 -18.9016 -18.9016 4.8419 4.8419 4.9291 4.9291 5.7608 5.7608 5.7805 5.7805 7.9157 7.9157 8.0069 8.0069 8.4487 8.4487 8.4583 8.4583 9.4419 9.4419 9.4745 9.4745 11.2436 11.2436 11.2438 11.2438 13.4756 13.4756 13.5110 13.5110 15.4425 15.4425 15.4675 15.4675 15.9662 15.9662 15.9840 15.9840 k = 0.5000 0.3359 0.5644 ( 4464 PWs) bands (ev): -43.1305 -43.1305 -43.1195 -43.1195 -21.0887 -21.0887 -20.8315 -20.8315 -19.4884 -19.4884 -19.2369 -19.2369 -18.9099 -18.9099 -18.9012 -18.9012 4.8977 4.8977 4.9818 4.9818 5.7228 5.7228 5.7387 5.7387 7.9809 7.9809 8.0564 8.0564 8.4653 8.4653 8.4724 8.4724 9.4309 9.4309 9.4622 9.4622 11.2351 11.2351 11.2355 11.2355 13.4064 13.4064 13.4426 13.4426 15.4036 15.4036 15.4313 15.4313 15.9241 15.9241 15.9375 15.9375 k = 0.5000 0.3213 0.5644 ( 4466 PWs) bands (ev): -43.1450 -43.1450 -43.1342 -43.1342 -21.0539 -21.0539 -20.7940 -20.7940 -19.4962 -19.4962 -19.2390 -19.2390 -18.9123 -18.9123 -18.9008 -18.9008 4.9546 4.9546 5.0346 5.0346 5.6896 5.6896 5.7007 5.7007 8.0306 8.0306 8.0868 8.0868 8.4844 8.4844 8.5115 8.5115 9.4186 9.4186 9.4482 9.4482 11.2287 11.2287 11.2292 11.2292 13.3376 13.3376 13.3744 13.3744 15.3546 15.3546 15.3840 15.3840 15.8900 15.8900 15.8994 15.8994 k = 0.5000 0.3067 0.5644 ( 4472 PWs) bands (ev): -43.1591 -43.1591 -43.1485 -43.1485 -21.0189 -21.0189 -20.7568 -20.7568 -19.5044 -19.5044 -19.2421 -19.2421 -18.9146 -18.9146 -18.9005 -18.9005 5.0114 5.0114 5.0857 5.0857 5.6630 5.6630 5.6677 5.6677 8.0636 8.0636 8.1009 8.1009 8.5166 8.5166 8.5630 8.5630 9.4049 9.4049 9.4326 9.4326 11.2244 11.2244 11.2250 11.2250 13.2691 13.2691 13.3064 13.3064 15.2968 15.2968 15.3269 15.3269 15.8648 15.8648 15.8711 15.8711 k = 0.5000 0.2921 0.5644 ( 4472 PWs) bands (ev): -43.1728 -43.1728 -43.1626 -43.1626 -20.9836 -20.9836 -20.7200 -20.7200 -19.5129 -19.5129 -19.2464 -19.2464 -18.9166 -18.9166 -18.9001 -18.9001 5.0665 5.0665 5.1327 5.1327 5.6410 5.6410 5.6449 5.6449 8.0816 8.0816 8.1035 8.1035 8.5600 8.5600 8.6217 8.6217 9.3900 9.3900 9.4153 9.4153 11.2222 11.2222 11.2229 11.2229 13.2012 13.2012 13.2388 13.2388 15.2330 15.2330 15.2626 15.2626 15.8476 15.8476 15.8518 15.8518 k = 0.5000 0.2775 0.5644 ( 4472 PWs) bands (ev): -43.1862 -43.1862 -43.1762 -43.1762 -20.9481 -20.9481 -20.6837 -20.6837 -19.5217 -19.5217 -19.2519 -19.2519 -18.9184 -18.9184 -18.8999 -18.8999 5.1172 5.1172 5.1723 5.1723 5.6232 5.6232 5.6385 5.6385 8.0882 8.0882 8.0989 8.0989 8.6105 8.6105 8.6826 8.6826 9.3741 9.3741 9.3965 9.3965 11.2222 11.2222 11.2229 11.2229 13.1340 13.1340 13.1717 13.1717 15.1663 15.1663 15.1945 15.1945 15.8370 15.8370 15.8399 15.8399 k = 0.5000 0.2629 0.5644 ( 4474 PWs) bands (ev): -43.1991 -43.1991 -43.1895 -43.1895 -20.9125 -20.9125 -20.6480 -20.6480 -19.5307 -19.5307 -19.2587 -19.2587 -18.9199 -18.9199 -18.8996 -18.8996 5.1602 5.1602 5.2013 5.2013 5.6173 5.6173 5.6467 5.6467 8.0874 8.0874 8.0904 8.0904 8.6640 8.6640 8.7424 8.7424 9.3571 9.3571 9.3761 9.3761 11.2244 11.2244 11.2249 11.2249 13.0677 13.0677 13.1054 13.1054 15.0994 15.0994 15.1256 15.1256 15.8312 15.8312 15.8333 15.8333 k = 0.5000 0.2483 0.5644 ( 4472 PWs) bands (ev): -43.2116 -43.2116 -43.2023 -43.2023 -20.8769 -20.8769 -20.6133 -20.6133 -19.5399 -19.5399 -19.2668 -19.2668 -18.9211 -18.9211 -18.8994 -18.8994 5.1917 5.1917 5.2178 5.2178 5.6266 5.6266 5.6711 5.6711 8.0799 8.0799 8.0822 8.0822 8.7173 8.7173 8.7988 8.7988 9.3392 9.3392 9.3541 9.3541 11.2286 11.2286 11.2291 11.2291 13.0027 13.0027 13.0399 13.0399 15.0345 15.0345 15.0584 15.0584 15.8289 15.8289 15.8306 15.8306 k = 0.5000 0.2337 0.5644 ( 4480 PWs) bands (ev): -43.2235 -43.2235 -43.2146 -43.2146 -20.8414 -20.8414 -20.5796 -20.5796 -19.5491 -19.5491 -19.2762 -19.2762 -18.9219 -18.9219 -18.8992 -18.8992 5.2096 5.2096 5.2223 5.2223 5.6530 5.6530 5.7107 5.7107 8.0689 8.0689 8.0748 8.0748 8.7681 8.7681 8.8500 8.8500 9.3204 9.3204 9.3306 9.3306 11.2349 11.2349 11.2352 11.2352 12.9391 12.9391 12.9757 12.9757 14.9732 14.9732 14.9947 14.9947 15.8290 15.8290 15.8305 15.8305 k = 0.5000 0.2191 0.5644 ( 4480 PWs) bands (ev): -43.2348 -43.2348 -43.2264 -43.2264 -20.8061 -20.8061 -20.5471 -20.5471 -19.5581 -19.5581 -19.2870 -19.2870 -18.9225 -18.9225 -18.8991 -18.8991 5.2147 5.2147 5.2176 5.2176 5.6952 5.6952 5.7622 5.7622 8.0581 8.0581 8.0668 8.0668 8.8150 8.8150 8.8952 8.8952 9.3007 9.3007 9.3053 9.3053 11.2432 11.2432 11.2433 11.2433 12.8773 12.8773 12.9130 12.9130 14.9169 14.9169 14.9360 14.9360 15.8307 15.8307 15.8323 15.8323 k = 0.5000 0.2045 0.5644 ( 4472 PWs) bands (ev): -43.2456 -43.2456 -43.2376 -43.2376 -20.7710 -20.7710 -20.5161 -20.5161 -19.5668 -19.5668 -19.2989 -19.2989 -18.9226 -18.9226 -18.8991 -18.8991 5.2069 5.2069 5.2103 5.2103 5.7495 5.7495 5.8220 5.8220 8.0484 8.0484 8.0590 8.0590 8.8569 8.8569 8.9334 8.9334 9.2784 9.2784 9.2802 9.2802 11.2532 11.2532 11.2532 11.2532 12.8178 12.8178 12.8523 12.8523 14.8663 14.8663 14.8831 14.8831 15.8336 15.8336 15.8352 15.8352 k = 0.5000 0.1899 0.5644 ( 4478 PWs) bands (ev): -43.2558 -43.2558 -43.2483 -43.2483 -20.7363 -20.7363 -20.4868 -20.4868 -19.5750 -19.5750 -19.3122 -19.3122 -18.9225 -18.9225 -18.8991 -18.8991 5.1928 5.1928 5.1998 5.1998 5.8120 5.8120 5.8869 5.8869 8.0401 8.0401 8.0523 8.0523 8.8933 8.8933 8.9643 8.9643 9.2499 9.2499 9.2591 9.2591 11.2646 11.2646 11.2648 11.2648 12.7609 12.7609 12.7939 12.7939 14.8221 14.8221 14.8368 14.8368 15.8371 15.8371 15.8387 15.8387 k = 0.5000 0.1752 0.5644 ( 4482 PWs) bands (ev): -43.2653 -43.2653 -43.2583 -43.2583 -20.7021 -20.7021 -20.4596 -20.4596 -19.5825 -19.5825 -19.3265 -19.3265 -18.9221 -18.9221 -18.8992 -18.8992 5.1769 5.1769 5.1858 5.1858 5.8793 5.8793 5.9545 5.9545 8.0338 8.0338 8.0473 8.0473 8.9236 8.9236 8.9873 8.9873 9.2202 9.2202 9.2376 9.2376 11.2772 11.2772 11.2777 11.2777 12.7071 12.7071 12.7383 12.7383 14.7844 14.7844 14.7973 14.7973 15.8409 15.8409 15.8426 15.8426 k = 0.5000 0.1606 0.5644 ( 4484 PWs) bands (ev): -43.2741 -43.2741 -43.2676 -43.2676 -20.6684 -20.6684 -20.4346 -20.4346 -19.5891 -19.5891 -19.3419 -19.3419 -18.9214 -18.9214 -18.8993 -18.8993 5.1605 5.1605 5.1702 5.1702 5.9491 5.9491 6.0229 6.0229 8.0298 8.0298 8.0444 8.0444 8.9473 8.9473 9.0019 9.0019 9.1899 9.1899 9.2164 9.2164 11.2908 11.2908 11.2914 11.2914 12.6568 12.6568 12.6860 12.6860 14.7535 14.7535 14.7648 14.7648 15.8448 15.8448 15.8466 15.8466 k = 0.5000 0.1460 0.5644 ( 4484 PWs) bands (ev): -43.2822 -43.2822 -43.2763 -43.2763 -20.6355 -20.6355 -20.4123 -20.4123 -19.5944 -19.5944 -19.3582 -19.3582 -18.9205 -18.9205 -18.8996 -18.8996 5.1444 5.1444 5.1542 5.1542 6.0193 6.0193 6.0905 6.0905 8.0284 8.0284 8.0441 8.0441 8.9632 8.9632 9.0075 9.0075 9.1605 9.1605 9.1966 9.1966 11.3048 11.3048 11.3055 11.3055 12.6103 12.6103 12.6373 12.6373 14.7292 14.7292 14.7390 14.7390 15.8485 15.8485 15.8504 15.8504 k = 0.5000 0.1314 0.5644 ( 4482 PWs) bands (ev): -43.2896 -43.2896 -43.2842 -43.2842 -20.6033 -20.6033 -20.3928 -20.3928 -19.5982 -19.5982 -19.3754 -19.3754 -18.9195 -18.9195 -18.8999 -18.8999 5.1291 5.1291 5.1385 5.1385 6.0883 6.0883 6.1559 6.1559 8.0297 8.0297 8.0464 8.0464 8.9695 8.9695 9.0033 9.0033 9.1348 9.1348 9.1796 9.1796 11.3189 11.3189 11.3197 11.3197 12.5680 12.5680 12.5926 12.5926 14.7110 14.7110 14.7196 14.7196 15.8519 15.8519 15.8539 15.8539 k = 0.5000 0.1168 0.5644 ( 4482 PWs) bands (ev): -43.2963 -43.2963 -43.2914 -43.2914 -20.5722 -20.5722 -20.3766 -20.3766 -19.6002 -19.6002 -19.3933 -19.3933 -18.9182 -18.9182 -18.9003 -18.9003 5.1148 5.1148 5.1236 5.1236 6.1549 6.1549 6.2179 6.2179 8.0341 8.0341 8.0515 8.0515 8.9635 8.9635 8.9895 8.9895 9.1163 9.1163 9.1662 9.1662 11.3325 11.3325 11.3334 11.3334 12.5301 12.5301 12.5523 12.5523 14.6986 14.6986 14.7062 14.7062 15.8549 15.8549 15.8569 15.8569 k = 0.5000 0.1022 0.5644 ( 4486 PWs) bands (ev): -43.3021 -43.3021 -43.2978 -43.2978 -20.5422 -20.5422 -20.3639 -20.3639 -19.6002 -19.6002 -19.4117 -19.4117 -18.9169 -18.9169 -18.9008 -18.9008 5.1020 5.1020 5.1099 5.1099 6.2176 6.2176 6.2751 6.2751 8.0413 8.0413 8.0594 8.0594 8.9449 8.9449 8.9672 8.9672 9.1067 9.1067 9.1563 9.1563 11.3454 11.3454 11.3463 11.3463 12.4969 12.4969 12.5165 12.5165 14.6912 14.6912 14.6978 14.6978 15.8573 15.8573 15.8593 15.8593 k = 0.5000 0.0876 0.5644 ( 4478 PWs) bands (ev): -43.3072 -43.3072 -43.3035 -43.3035 -20.5135 -20.5135 -20.3549 -20.3549 -19.5981 -19.5981 -19.4304 -19.4304 -18.9155 -18.9155 -18.9014 -18.9014 5.0907 5.0907 5.0977 5.0977 6.2755 6.2755 6.3266 6.3266 8.0513 8.0513 8.0696 8.0696 8.9172 8.9172 8.9388 8.9388 9.1041 9.1041 9.1491 9.1491 11.3572 11.3572 11.3580 11.3580 12.4684 12.4684 12.4853 12.4853 14.6880 14.6880 14.6937 14.6937 15.8592 15.8592 15.8611 15.8611 k = 0.5000 0.0730 0.5644 ( 4478 PWs) bands (ev): -43.3115 -43.3115 -43.3084 -43.3084 -20.4862 -20.4862 -20.3498 -20.3498 -19.5936 -19.5936 -19.4493 -19.4493 -18.9141 -18.9141 -18.9021 -18.9021 5.0811 5.0811 5.0870 5.0870 6.3273 6.3273 6.3713 6.3713 8.0635 8.0635 8.0815 8.0815 8.8855 8.8855 8.9070 8.9070 9.1052 9.1052 9.1435 9.1435 11.3675 11.3675 11.3683 11.3683 12.4447 12.4447 12.4588 12.4588 14.6879 14.6879 14.6928 14.6928 15.8605 15.8605 15.8623 15.8623 k = 0.5000 0.0584 0.5644 ( 4474 PWs) bands (ev): -43.3149 -43.3149 -43.3124 -43.3124 -20.4607 -20.4607 -20.3485 -20.3485 -19.5868 -19.5868 -19.4682 -19.4682 -18.9127 -18.9127 -18.9030 -18.9030 5.0732 5.0732 5.0780 5.0780 6.3721 6.3721 6.4082 6.4082 8.0773 8.0773 8.0940 8.0940 8.8541 8.8541 8.8747 8.8747 9.1080 9.1080 9.1388 9.1388 11.3762 11.3762 11.3768 11.3768 12.4258 12.4258 12.4371 12.4371 14.6901 14.6901 14.6941 14.6941 15.8613 15.8613 15.8628 15.8628 k = 0.5000 0.0438 0.5644 ( 4470 PWs) bands (ev): -43.3176 -43.3176 -43.3157 -43.3157 -20.4371 -20.4371 -20.3512 -20.3512 -19.5777 -19.5777 -19.4869 -19.4869 -18.9112 -18.9112 -18.9039 -18.9039 5.0672 5.0672 5.0708 5.0708 6.4090 6.4090 6.4367 6.4367 8.0913 8.0913 8.1056 8.1056 8.8264 8.8264 8.8444 8.8444 9.1115 9.1115 9.1345 9.1345 11.3831 11.3831 11.3836 11.3836 12.4115 12.4115 12.4200 12.4200 14.6933 14.6933 14.6964 14.6964 15.8617 15.8617 15.8629 15.8629 k = 0.5000 0.0292 0.5644 ( 4474 PWs) bands (ev): -43.3193 -43.3193 -43.3181 -43.3181 -20.4157 -20.4157 -20.3575 -20.3575 -19.5664 -19.5664 -19.5050 -19.5050 -18.9098 -18.9098 -18.9049 -18.9049 5.0630 5.0630 5.0654 5.0654 6.4373 6.4373 6.4560 6.4560 8.1041 8.1041 8.1147 8.1147 8.8054 8.8054 8.8189 8.8189 9.1152 9.1152 9.1305 9.1305 11.3881 11.3881 11.3884 11.3884 12.4018 12.4018 12.4074 12.4074 14.6966 14.6966 14.6987 14.6987 15.8618 15.8618 15.8626 15.8626 k = 0.5000 0.0146 0.5644 ( 4470 PWs) bands (ev): -43.3203 -43.3203 -43.3197 -43.3197 -20.3968 -20.3968 -20.3674 -20.3674 -19.5533 -19.5533 -19.5223 -19.5223 -18.9085 -18.9085 -18.9060 -18.9060 5.0607 5.0607 5.0620 5.0620 6.4565 6.4565 6.4659 6.4659 8.1141 8.1141 8.1197 8.1197 8.7934 8.7934 8.8006 8.8006 9.1189 9.1189 9.1266 9.1266 11.3911 11.3911 11.3913 11.3913 12.3965 12.3965 12.3994 12.3994 14.6991 14.6991 14.7002 14.7002 15.8619 15.8619 15.8623 15.8623 k = 0.5000-0.0000 0.5644 ( 4468 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3806 -20.3806 -19.5385 -19.5385 -19.5385 -19.5385 -18.9072 -18.9072 -18.9072 -18.9072 5.0604 5.0604 5.0604 5.0604 6.4660 6.4660 6.4660 6.4660 8.1195 8.1195 8.1195 8.1195 8.7918 8.7918 8.7918 8.7918 9.1227 9.1227 9.1227 9.1227 11.3922 11.3922 11.3922 11.3922 12.3957 12.3957 12.3957 12.3957 14.7004 14.7004 14.7004 14.7004 15.8620 15.8620 15.8620 15.8620 k = 0.5000-0.0000 0.5644 ( 4468 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3806 -20.3806 -19.5385 -19.5385 -19.5385 -19.5385 -18.9072 -18.9072 -18.9072 -18.9072 5.0604 5.0604 5.0604 5.0604 6.4660 6.4660 6.4660 6.4660 8.1195 8.1195 8.1195 8.1195 8.7918 8.7918 8.7918 8.7918 9.1227 9.1227 9.1227 9.1227 11.3922 11.3922 11.3922 11.3922 12.3957 12.3957 12.3957 12.3957 14.7004 14.7004 14.7004 14.7004 15.8620 15.8620 15.8620 15.8620 k = 0.5000-0.0000 0.5500 ( 4464 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3806 -20.3806 -19.5385 -19.5385 -19.5384 -19.5384 -18.9073 -18.9073 -18.9072 -18.9072 5.0604 5.0604 5.0604 5.0604 6.4661 6.4661 6.4661 6.4661 8.1195 8.1195 8.1196 8.1196 8.7915 8.7915 8.7919 8.7919 9.1220 9.1220 9.1223 9.1223 11.3873 11.3873 11.3874 11.3874 12.4006 12.4006 12.4006 12.4006 14.7012 14.7012 14.7012 14.7012 15.8631 15.8631 15.8638 15.8638 k = 0.5000-0.0000 0.5355 ( 4468 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3805 -20.3805 -19.5384 -19.5384 -19.5382 -19.5382 -18.9074 -18.9074 -18.9072 -18.9072 5.0604 5.0604 5.0604 5.0604 6.4663 6.4663 6.4663 6.4663 8.1195 8.1195 8.1196 8.1196 8.7911 8.7911 8.7918 8.7918 9.1200 9.1200 9.1206 9.1206 11.3731 11.3731 11.3733 11.3733 12.4148 12.4148 12.4149 12.4149 14.7035 14.7035 14.7036 14.7036 15.8670 15.8670 15.8683 15.8683 k = 0.5000-0.0000 0.5210 ( 4470 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3805 -20.3805 -19.5383 -19.5383 -19.5380 -19.5380 -18.9075 -18.9075 -18.9073 -18.9073 5.0603 5.0603 5.0604 5.0604 6.4667 6.4667 6.4667 6.4667 8.1195 8.1195 8.1196 8.1196 8.7906 8.7906 8.7917 8.7917 9.1168 9.1168 9.1178 9.1178 11.3505 11.3505 11.3507 11.3507 12.4373 12.4373 12.4375 12.4375 14.7074 14.7074 14.7075 14.7075 15.8737 15.8737 15.8756 15.8756 k = 0.5000-0.0000 0.5066 ( 4470 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3805 -20.3805 -19.5382 -19.5382 -19.5378 -19.5378 -18.9077 -18.9077 -18.9075 -18.9075 5.0603 5.0603 5.0604 5.0604 6.4672 6.4672 6.4672 6.4672 8.1195 8.1195 8.1196 8.1196 8.7899 8.7899 8.7913 8.7913 9.1125 9.1125 9.1138 9.1138 11.3209 11.3209 11.3211 11.3211 12.4669 12.4669 12.4672 12.4672 14.7128 14.7128 14.7129 14.7129 15.8831 15.8831 15.8857 15.8857 k = 0.5000-0.0000 0.4921 ( 4472 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3804 -20.3804 -19.5379 -19.5379 -19.5374 -19.5374 -18.9079 -18.9079 -18.9077 -18.9077 5.0603 5.0603 5.0603 5.0603 6.4679 6.4679 6.4679 6.4679 8.1195 8.1195 8.1197 8.1197 8.7891 8.7891 8.7908 8.7908 9.1071 9.1071 9.1087 9.1087 11.2856 11.2856 11.2859 11.2859 12.5020 12.5020 12.5023 12.5023 14.7197 14.7197 14.7197 14.7197 15.8950 15.8950 15.8983 15.8983 k = 0.5000-0.0000 0.4776 ( 4474 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3804 -20.3804 -19.5376 -19.5376 -19.5371 -19.5371 -18.9082 -18.9082 -18.9079 -18.9079 5.0602 5.0602 5.0603 5.0603 6.4687 6.4687 6.4687 6.4687 8.1194 8.1194 8.1197 8.1197 8.7880 8.7880 8.7901 8.7901 9.1006 9.1006 9.1025 9.1025 11.2461 11.2461 11.2465 11.2465 12.5410 12.5410 12.5414 12.5414 14.7279 14.7279 14.7280 14.7280 15.9093 15.9093 15.9132 15.9132 k = 0.5000-0.0000 0.4631 ( 4474 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3804 -20.3804 -19.5373 -19.5373 -19.5366 -19.5366 -18.9085 -18.9085 -18.9082 -18.9082 5.0602 5.0602 5.0603 5.0603 6.4696 6.4696 6.4696 6.4696 8.1194 8.1194 8.1197 8.1197 8.7867 8.7867 8.7891 8.7891 9.0932 9.0932 9.0954 9.0954 11.2037 11.2037 11.2040 11.2040 12.5826 12.5826 12.5831 12.5831 14.7375 14.7375 14.7375 14.7375 15.9258 15.9258 15.9303 15.9303 k = 0.5000-0.0000 0.4487 ( 4472 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3803 -20.3803 -19.5369 -19.5369 -19.5361 -19.5361 -18.9089 -18.9089 -18.9085 -18.9085 5.0602 5.0602 5.0603 5.0603 6.4707 6.4707 6.4707 6.4707 8.1194 8.1194 8.1197 8.1197 8.7851 8.7851 8.7878 8.7878 9.0849 9.0849 9.0874 9.0874 11.1593 11.1593 11.1597 11.1597 12.6258 12.6258 12.6263 12.6263 14.7482 14.7482 14.7482 14.7482 15.9440 15.9440 15.9492 15.9492 k = 0.5000-0.0000 0.4342 ( 4470 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3807 -20.3807 -20.3803 -20.3803 -19.5364 -19.5364 -19.5356 -19.5356 -18.9093 -18.9093 -18.9088 -18.9088 5.0601 5.0601 5.0602 5.0602 6.4718 6.4718 6.4718 6.4718 8.1194 8.1194 8.1198 8.1198 8.7831 8.7831 8.7861 8.7861 9.0758 9.0758 9.0786 9.0786 11.1138 11.1138 11.1142 11.1142 12.6694 12.6694 12.6700 12.6700 14.7599 14.7599 14.7599 14.7599 15.9636 15.9636 15.9693 15.9693 k = 0.5000-0.0000 0.4197 ( 4468 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3807 -20.3807 -20.3802 -20.3802 -19.5359 -19.5359 -19.5350 -19.5350 -18.9097 -18.9097 -18.9092 -18.9092 5.0600 5.0600 5.0602 5.0602 6.4731 6.4731 6.4731 6.4731 8.1194 8.1194 8.1198 8.1198 8.7807 8.7807 8.7839 8.7839 9.0662 9.0662 9.0692 9.0692 11.0679 11.0679 11.0683 11.0683 12.7128 12.7128 12.7135 12.7135 14.7725 14.7725 14.7726 14.7726 15.9840 15.9840 15.9903 15.9903 k = 0.5000-0.0000 0.4052 ( 4462 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3806 -20.3806 -20.3802 -20.3802 -19.5354 -19.5354 -19.5344 -19.5344 -18.9102 -18.9102 -18.9096 -18.9096 5.0600 5.0600 5.0601 5.0601 6.4744 6.4744 6.4744 6.4744 8.1194 8.1194 8.1198 8.1198 8.7777 8.7777 8.7812 8.7812 9.0561 9.0561 9.0593 9.0593 11.0221 11.0221 11.0226 11.0226 12.7553 12.7553 12.7561 12.7561 14.7859 14.7859 14.7860 14.7860 16.0047 16.0047 16.0114 16.0114 k = 0.5000-0.0000 0.3908 ( 4462 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3806 -20.3806 -20.3801 -20.3801 -19.5348 -19.5348 -19.5337 -19.5337 -18.9106 -18.9106 -18.9101 -18.9101 5.0599 5.0599 5.0601 5.0601 6.4758 6.4758 6.4758 6.4758 8.1194 8.1194 8.1198 8.1198 8.7742 8.7742 8.7779 8.7779 9.0457 9.0457 9.0491 9.0491 10.9770 10.9770 10.9775 10.9775 12.7964 12.7964 12.7972 12.7972 14.7999 14.7999 14.8000 14.8000 16.0252 16.0252 16.0321 16.0321 k = 0.5000-0.0000 0.3763 ( 4460 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3806 -20.3806 -20.3801 -20.3801 -19.5341 -19.5341 -19.5330 -19.5330 -18.9112 -18.9112 -18.9106 -18.9106 5.0599 5.0599 5.0600 5.0600 6.4773 6.4773 6.4773 6.4773 8.1194 8.1194 8.1198 8.1198 8.7700 8.7700 8.7739 8.7739 9.0352 9.0352 9.0388 9.0388 10.9328 10.9328 10.9333 10.9333 12.8357 12.8357 12.8366 12.8366 14.8143 14.8143 14.8145 14.8145 16.0448 16.0448 16.0518 16.0518 k = 0.5000-0.0000 0.3618 ( 4466 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3806 -20.3806 -20.3800 -20.3800 -19.5335 -19.5335 -19.5323 -19.5323 -18.9117 -18.9117 -18.9111 -18.9111 5.0598 5.0598 5.0599 5.0599 6.4789 6.4789 6.4789 6.4789 8.1194 8.1194 8.1198 8.1198 8.7651 8.7651 8.7691 8.7691 9.0249 9.0249 9.0285 9.0285 10.8899 10.8899 10.8904 10.8904 12.8730 12.8730 12.8739 12.8739 14.8291 14.8291 14.8292 14.8292 16.0631 16.0631 16.0702 16.0702 k = 0.5000-0.0000 0.3474 ( 4464 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3806 -20.3806 -20.3800 -20.3800 -19.5327 -19.5327 -19.5315 -19.5315 -18.9123 -18.9123 -18.9116 -18.9116 5.0597 5.0597 5.0599 5.0599 6.4804 6.4804 6.4804 6.4804 8.1193 8.1193 8.1198 8.1198 8.7593 8.7593 8.7633 8.7633 9.0149 9.0149 9.0185 9.0185 10.8483 10.8483 10.8488 10.8488 12.9080 12.9080 12.9089 12.9089 14.8439 14.8439 14.8441 14.8441 16.0799 16.0799 16.0868 16.0868 k = 0.5000-0.0000 0.3329 ( 4460 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3805 -20.3805 -20.3800 -20.3800 -19.5320 -19.5320 -19.5308 -19.5308 -18.9128 -18.9128 -18.9122 -18.9122 5.0597 5.0597 5.0598 5.0598 6.4820 6.4820 6.4820 6.4820 8.1193 8.1193 8.1198 8.1198 8.7525 8.7525 8.7565 8.7565 9.0053 9.0053 9.0090 9.0090 10.8083 10.8083 10.8089 10.8089 12.9406 12.9406 12.9416 12.9416 14.8588 14.8588 14.8591 14.8591 16.0951 16.0951 16.1017 16.1017 k = 0.5000-0.0000 0.3184 ( 4466 PWs) bands (ev): -43.3205 -43.3205 -43.3205 -43.3205 -20.3805 -20.3805 -20.3799 -20.3799 -19.5312 -19.5312 -19.5300 -19.5300 -18.9134 -18.9134 -18.9127 -18.9127 5.0596 5.0596 5.0597 5.0597 6.4836 6.4836 6.4837 6.4837 8.1193 8.1193 8.1197 8.1197 8.7448 8.7448 8.7487 8.7487 8.9964 8.9964 9.0000 9.0000 10.7701 10.7701 10.7706 10.7706 12.9708 12.9708 12.9718 12.9718 14.8736 14.8736 14.8739 14.8739 16.1086 16.1086 16.1149 16.1149 k = 0.5000-0.0000 0.3039 ( 4466 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3805 -20.3805 -20.3799 -20.3799 -19.5305 -19.5305 -19.5292 -19.5292 -18.9140 -18.9140 -18.9133 -18.9133 5.0595 5.0595 5.0597 5.0597 6.4852 6.4852 6.4853 6.4853 8.1192 8.1192 8.1197 8.1197 8.7361 8.7361 8.7399 8.7399 8.9884 8.9884 8.9918 8.9918 10.7336 10.7336 10.7341 10.7341 12.9986 12.9986 12.9996 12.9996 14.8882 14.8882 14.8884 14.8884 16.1206 16.1206 16.1264 16.1264 k = 0.5000-0.0000 0.2895 ( 4466 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3804 -20.3804 -20.3798 -20.3798 -19.5297 -19.5297 -19.5284 -19.5284 -18.9146 -18.9146 -18.9139 -18.9139 5.0594 5.0594 5.0596 5.0596 6.4868 6.4868 6.4869 6.4869 8.1192 8.1192 8.1197 8.1197 8.7264 8.7264 8.7300 8.7300 8.9812 8.9812 8.9844 8.9844 10.6989 10.6989 10.6995 10.6995 13.0241 13.0241 13.0250 13.0250 14.9024 14.9024 14.9027 14.9027 16.1312 16.1312 16.1365 16.1365 k = 0.5000-0.0000 0.2750 ( 4472 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3804 -20.3804 -20.3798 -20.3798 -19.5289 -19.5289 -19.5276 -19.5276 -18.9152 -18.9152 -18.9145 -18.9145 5.0594 5.0594 5.0595 5.0595 6.4884 6.4884 6.4884 6.4884 8.1191 8.1191 8.1196 8.1196 8.7158 8.7158 8.7191 8.7191 8.9749 8.9749 8.9778 8.9778 10.6661 10.6661 10.6667 10.6667 13.0472 13.0472 13.0481 13.0481 14.9162 14.9162 14.9165 14.9165 16.1405 16.1405 16.1454 16.1454 k = 0.5000-0.0000 0.2605 ( 4472 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3803 -20.3803 -20.3797 -20.3797 -19.5281 -19.5281 -19.5268 -19.5268 -18.9158 -18.9158 -18.9151 -18.9151 5.0593 5.0593 5.0595 5.0595 6.4900 6.4900 6.4900 6.4900 8.1191 8.1191 8.1195 8.1195 8.7044 8.7044 8.7075 8.7075 8.9696 8.9696 8.9722 8.9722 10.6352 10.6352 10.6357 10.6357 13.0681 13.0681 13.0690 13.0690 14.9296 14.9296 14.9299 14.9299 16.1488 16.1488 16.1533 16.1533 k = 0.5000-0.0000 0.2460 ( 4470 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3803 -20.3803 -20.3797 -20.3797 -19.5273 -19.5273 -19.5260 -19.5260 -18.9164 -18.9164 -18.9157 -18.9157 5.0592 5.0592 5.0594 5.0594 6.4915 6.4915 6.4915 6.4915 8.1190 8.1190 8.1195 8.1195 8.6924 8.6924 8.6952 8.6952 8.9651 8.9651 8.9675 8.9675 10.6061 10.6061 10.6066 10.6066 13.0869 13.0869 13.0878 13.0878 14.9425 14.9425 14.9427 14.9427 16.1562 16.1562 16.1602 16.1602 k = 0.5000-0.0000 0.2316 ( 4480 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3802 -20.3802 -20.3797 -20.3797 -19.5265 -19.5265 -19.5252 -19.5252 -18.9170 -18.9170 -18.9163 -18.9163 5.0591 5.0591 5.0593 5.0593 6.4929 6.4929 6.4929 6.4929 8.1189 8.1189 8.1194 8.1194 8.6799 8.6799 8.6824 8.6824 8.9615 8.9615 8.9635 8.9635 10.5789 10.5789 10.5794 10.5794 13.1038 13.1038 13.1047 13.1047 14.9547 14.9547 14.9550 14.9550 16.1627 16.1627 16.1664 16.1664 k = 0.5000-0.0000 0.2171 ( 4482 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3802 -20.3802 -20.3797 -20.3797 -19.5257 -19.5257 -19.5245 -19.5245 -18.9176 -18.9176 -18.9169 -18.9169 5.0591 5.0591 5.0592 5.0592 6.4943 6.4943 6.4943 6.4943 8.1189 8.1189 8.1193 8.1193 8.6672 8.6672 8.6694 8.6694 8.9586 8.9586 8.9603 8.9603 10.5535 10.5535 10.5540 10.5540 13.1188 13.1188 13.1197 13.1197 14.9664 14.9664 14.9666 14.9666 16.1686 16.1686 16.1720 16.1720 k = 0.5000-0.0000 0.2026 ( 4474 PWs) bands (ev): -43.3206 -43.3206 -43.3206 -43.3206 -20.3802 -20.3802 -20.3796 -20.3796 -19.5249 -19.5249 -19.5237 -19.5237 -18.9181 -18.9181 -18.9175 -18.9175 5.0590 5.0590 5.0592 5.0592 6.4956 6.4956 6.4956 6.4956 8.1188 8.1188 8.1192 8.1192 8.6543 8.6543 8.6562 8.6562 8.9563 8.9563 8.9578 8.9578 10.5299 10.5299 10.5305 10.5305 13.1321 13.1321 13.1330 13.1330 14.9775 14.9775 14.9777 14.9777 16.1739 16.1739 16.1769 16.1769 k = 0.5000-0.0000 0.1881 ( 4472 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3801 -20.3801 -20.3796 -20.3796 -19.5242 -19.5242 -19.5230 -19.5230 -18.9187 -18.9187 -18.9180 -18.9180 5.0589 5.0589 5.0591 5.0591 6.4968 6.4968 6.4969 6.4969 8.1187 8.1187 8.1191 8.1191 8.6416 8.6416 8.6432 8.6432 8.9546 8.9546 8.9558 8.9558 10.5082 10.5082 10.5087 10.5087 13.1439 13.1439 13.1447 13.1447 14.9878 14.9878 14.9880 14.9880 16.1787 16.1787 16.1814 16.1814 k = 0.5000-0.0000 0.1737 ( 4470 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3801 -20.3801 -20.3796 -20.3796 -19.5235 -19.5235 -19.5224 -19.5224 -18.9192 -18.9192 -18.9186 -18.9186 5.0589 5.0589 5.0590 5.0590 6.4980 6.4980 6.4980 6.4980 8.1186 8.1186 8.1189 8.1189 8.6291 8.6291 8.6305 8.6305 8.9534 8.9534 8.9544 8.9544 10.4882 10.4882 10.4887 10.4887 13.1543 13.1543 13.1550 13.1550 14.9975 14.9975 14.9977 14.9977 16.1830 16.1830 16.1854 16.1854 k = 0.5000-0.0000 0.1592 ( 4472 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3800 -20.3800 -20.3796 -20.3796 -19.5228 -19.5228 -19.5218 -19.5218 -18.9196 -18.9196 -18.9191 -18.9191 5.0588 5.0588 5.0590 5.0590 6.4991 6.4991 6.4991 6.4991 8.1185 8.1185 8.1188 8.1188 8.6170 8.6170 8.6182 8.6182 8.9525 8.9525 8.9533 8.9533 10.4699 10.4699 10.4703 10.4703 13.1634 13.1634 13.1640 13.1640 15.0065 15.0065 15.0067 15.0067 16.1869 16.1869 16.1890 16.1890 k = 0.5000-0.0000 0.1447 ( 4470 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3800 -20.3800 -20.3795 -20.3795 -19.5221 -19.5221 -19.5212 -19.5212 -18.9201 -18.9201 -18.9196 -18.9196 5.0588 5.0588 5.0589 5.0589 6.5000 6.5000 6.5001 6.5001 8.1184 8.1184 8.1187 8.1187 8.6056 8.6056 8.6066 8.6066 8.9519 8.9519 8.9525 8.9525 10.4533 10.4533 10.4537 10.4537 13.1712 13.1712 13.1719 13.1719 15.0148 15.0148 15.0149 15.0149 16.1904 16.1904 16.1923 16.1923 k = 0.5000-0.0000 0.1303 ( 4464 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3799 -20.3799 -20.3795 -20.3795 -19.5215 -19.5215 -19.5206 -19.5206 -18.9205 -18.9205 -18.9200 -18.9200 5.0587 5.0587 5.0588 5.0588 6.5009 6.5009 6.5010 6.5010 8.1183 8.1183 8.1186 8.1186 8.5948 8.5948 8.5957 8.5957 8.9516 8.9516 8.9521 8.9521 10.4384 10.4384 10.4388 10.4388 13.1780 13.1780 13.1786 13.1786 15.0223 15.0223 15.0225 15.0225 16.1935 16.1935 16.1952 16.1952 k = 0.5000-0.0000 0.1158 ( 4458 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3799 -20.3799 -20.3795 -20.3795 -19.5210 -19.5210 -19.5202 -19.5202 -18.9209 -18.9209 -18.9204 -18.9204 5.0587 5.0587 5.0588 5.0588 6.5017 6.5017 6.5018 6.5018 8.1182 8.1182 8.1184 8.1184 8.5849 8.5849 8.5856 8.5856 8.9514 8.9514 8.9518 8.9518 10.4251 10.4251 10.4255 10.4255 13.1839 13.1839 13.1844 13.1844 15.0291 15.0291 15.0292 15.0292 16.1963 16.1963 16.1978 16.1978 k = 0.5000-0.0000 0.1013 ( 4452 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3798 -20.3798 -20.3795 -20.3795 -19.5205 -19.5205 -19.5197 -19.5197 -18.9212 -18.9212 -18.9208 -18.9208 5.0587 5.0587 5.0587 5.0587 6.5024 6.5024 6.5025 6.5025 8.1181 8.1181 8.1183 8.1183 8.5760 8.5760 8.5765 8.5765 8.9514 8.9514 8.9517 8.9517 10.4134 10.4134 10.4138 10.4138 13.1888 13.1888 13.1893 13.1893 15.0352 15.0352 15.0352 15.0352 16.1987 16.1987 16.2000 16.2000 k = 0.5000-0.0000 0.0868 ( 4454 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3798 -20.3798 -20.3795 -20.3795 -19.5200 -19.5200 -19.5194 -19.5194 -18.9215 -18.9215 -18.9211 -18.9211 5.0586 5.0586 5.0587 5.0587 6.5030 6.5030 6.5031 6.5031 8.1180 8.1180 8.1182 8.1182 8.5680 8.5680 8.5685 8.5685 8.9515 8.9515 8.9516 8.9516 10.4034 10.4034 10.4037 10.4037 13.1929 13.1929 13.1933 13.1933 15.0404 15.0404 15.0405 15.0405 16.2009 16.2009 16.2020 16.2020 k = 0.5000-0.0000 0.0724 ( 4452 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3798 -20.3798 -20.3795 -20.3795 -19.5196 -19.5196 -19.5191 -19.5191 -18.9217 -18.9217 -18.9214 -18.9214 5.0586 5.0586 5.0587 5.0587 6.5036 6.5036 6.5036 6.5036 8.1180 8.1180 8.1181 8.1181 8.5612 8.5612 8.5615 8.5615 8.9516 8.9516 8.9517 8.9517 10.3949 10.3949 10.3952 10.3952 13.1963 13.1963 13.1967 13.1967 15.0449 15.0449 15.0449 15.0449 16.2027 16.2027 16.2036 16.2036 k = 0.5000-0.0000 0.0579 ( 4452 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3797 -20.3797 -20.3795 -20.3795 -19.5193 -19.5193 -19.5188 -19.5188 -18.9219 -18.9219 -18.9217 -18.9217 5.0586 5.0586 5.0586 5.0586 6.5040 6.5040 6.5040 6.5040 8.1179 8.1179 8.1180 8.1180 8.5555 8.5555 8.5558 8.5558 8.9517 8.9517 8.9518 8.9518 10.3880 10.3880 10.3882 10.3882 13.1990 13.1990 13.1993 13.1993 15.0485 15.0485 15.0486 15.0486 16.2042 16.2042 16.2049 16.2049 k = 0.5000-0.0000 0.0434 ( 4462 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3797 -20.3797 -20.3796 -20.3796 -19.5190 -19.5190 -19.5187 -19.5187 -18.9221 -18.9221 -18.9219 -18.9219 5.0586 5.0586 5.0586 5.0586 6.5043 6.5043 6.5043 6.5043 8.1178 8.1178 8.1179 8.1179 8.5511 8.5511 8.5513 8.5513 8.9518 8.9518 8.9519 8.9519 10.3826 10.3826 10.3828 10.3828 13.2011 13.2011 13.2013 13.2013 15.0514 15.0514 15.0514 15.0514 16.2054 16.2054 16.2059 16.2059 k = 0.5000-0.0000 0.0289 ( 4466 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3797 -20.3797 -20.3796 -20.3796 -19.5188 -19.5188 -19.5185 -19.5185 -18.9222 -18.9222 -18.9220 -18.9220 5.0585 5.0585 5.0586 5.0586 6.5046 6.5046 6.5046 6.5046 8.1178 8.1178 8.1179 8.1179 8.5479 8.5479 8.5480 8.5480 8.9519 8.9519 8.9519 8.9519 10.3788 10.3788 10.3789 10.3789 13.2025 13.2025 13.2027 13.2027 15.0535 15.0535 15.0535 15.0535 16.2062 16.2062 16.2066 16.2066 k = 0.5000-0.0000 0.0145 ( 4466 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3796 -20.3796 -20.3796 -20.3796 -19.5186 -19.5186 -19.5185 -19.5185 -18.9222 -18.9222 -18.9221 -18.9221 5.0585 5.0585 5.0586 5.0586 6.5047 6.5047 6.5047 6.5047 8.1178 8.1178 8.1178 8.1178 8.5459 8.5459 8.5460 8.5460 8.9520 8.9520 8.9520 8.9520 10.3765 10.3765 10.3766 10.3766 13.2034 13.2034 13.2035 13.2035 15.0547 15.0547 15.0547 15.0547 16.2068 16.2068 16.2070 16.2070 k = 0.5000-0.0000-0.0000 ( 4464 PWs) bands (ev): -43.3207 -43.3207 -43.3207 -43.3207 -20.3796 -20.3796 -20.3796 -20.3796 -19.5185 -19.5185 -19.5185 -19.5185 -18.9222 -18.9222 -18.9222 -18.9222 5.0585 5.0585 5.0585 5.0585 6.5047 6.5047 6.5047 6.5047 8.1178 8.1178 8.1178 8.1178 8.5453 8.5453 8.5453 8.5453 8.9520 8.9520 8.9520 8.9520 10.3758 10.3758 10.3758 10.3758 13.2037 13.2037 13.2037 13.2037 15.0551 15.0551 15.0551 15.0551 16.2070 16.2071 16.2071 16.2071 k = 0.0000 0.0000 0.5644 ( 4506 PWs) bands (ev): -43.3335 -43.3335 -43.3074 -43.3074 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4841 -19.4841 -19.0039 -19.0039 -18.8523 -18.8523 4.9438 4.9438 5.2068 5.2068 6.0466 6.0466 6.8005 6.8005 7.9842 7.9842 8.2284 8.2284 8.5170 8.5170 8.8526 8.8526 9.0474 9.0474 9.3042 9.3042 10.4963 10.4963 10.5791 10.5791 13.5922 13.5922 14.1906 14.1906 14.4395 14.4395 15.2929 15.2929 15.4837 15.4837 15.8984 15.8984 k = 0.0147-0.0000 0.5644 ( 4504 PWs) bands (ev): -43.3334 -43.3334 -43.3074 -43.3074 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4842 -19.4842 -19.0038 -19.0038 -18.8524 -18.8524 4.9439 4.9439 5.2066 5.2066 6.0471 6.0471 6.8002 6.8002 7.9844 7.9844 8.2283 8.2283 8.5174 8.5174 8.8527 8.8527 9.0471 9.0471 9.3041 9.3041 10.4971 10.4971 10.5803 10.5803 13.5892 13.5892 14.1904 14.1904 14.4381 14.4381 15.2927 15.2927 15.4840 15.4840 15.8985 15.8985 k = 0.0294-0.0000 0.5644 ( 4506 PWs) bands (ev): -43.3334 -43.3334 -43.3075 -43.3075 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4845 -19.4845 -19.0034 -19.0034 -18.8525 -18.8525 4.9442 4.9442 5.2061 5.2061 6.0486 6.0486 6.7992 6.7992 7.9848 7.9848 8.2280 8.2280 8.5188 8.5188 8.8532 8.8532 9.0465 9.0465 9.3037 9.3037 10.4996 10.4996 10.5840 10.5840 13.5801 13.5801 14.1896 14.1896 14.4342 14.4342 15.2921 15.2921 15.4850 15.4850 15.8985 15.8985 k = 0.0441-0.0000 0.5644 ( 4504 PWs) bands (ev): -43.3333 -43.3333 -43.3075 -43.3075 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4849 -19.4849 -19.0027 -19.0027 -18.8527 -18.8527 4.9448 4.9448 5.2052 5.2052 6.0512 6.0512 6.7975 6.7975 7.9856 7.9856 8.2276 8.2276 8.5211 8.5211 8.8539 8.8539 9.0454 9.0454 9.3030 9.3030 10.5037 10.5037 10.5903 10.5903 13.5652 13.5652 14.1882 14.1882 14.4278 14.4278 15.2911 15.2911 15.4867 15.4867 15.8986 15.8986 k = 0.0588-0.0000 0.5644 ( 4504 PWs) bands (ev): -43.3332 -43.3332 -43.3076 -43.3076 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4855 -19.4855 -19.0017 -19.0017 -18.8530 -18.8530 4.9456 4.9456 5.2040 5.2040 6.0547 6.0547 6.7951 6.7951 7.9866 7.9866 8.2270 8.2270 8.5243 8.5243 8.8549 8.8549 9.0439 9.0439 9.3021 9.3021 10.5094 10.5094 10.5990 10.5990 13.5446 13.5446 14.1859 14.1859 14.4191 14.4191 15.2895 15.2895 15.4892 15.4892 15.8987 15.8987 k = 0.0735-0.0000 0.5644 ( 4500 PWs) bands (ev): -43.3331 -43.3331 -43.3078 -43.3078 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4863 -19.4863 -19.0005 -19.0005 -18.8534 -18.8534 4.9466 4.9466 5.2024 5.2024 6.0591 6.0591 6.7921 6.7921 7.9879 7.9879 8.2262 8.2262 8.5283 8.5283 8.8561 8.8561 9.0421 9.0421 9.3008 9.3008 10.5167 10.5167 10.6102 10.6102 13.5184 13.5184 14.1820 14.1820 14.4084 14.4084 15.2873 15.2873 15.4924 15.4924 15.8988 15.8988 k = 0.0882-0.0000 0.5644 ( 4488 PWs) bands (ev): -43.3330 -43.3330 -43.3079 -43.3079 -20.3804 -20.3804 -20.3797 -20.3797 -19.5519 -19.5519 -19.4873 -19.4873 -18.9990 -18.9990 -18.8539 -18.8539 4.9478 4.9478 5.2006 5.2006 6.0646 6.0646 6.7884 6.7884 7.9895 7.9895 8.2252 8.2252 8.5332 8.5332 8.8576 8.8576 9.0399 9.0399 9.2993 9.2993 10.5257 10.5257 10.6239 10.6239 13.4869 13.4869 14.1761 14.1761 14.3964 14.3964 15.2841 15.2841 15.4965 15.4965 15.8990 15.8990 k = 0.1029-0.0000 0.5644 ( 4492 PWs) bands (ev): -43.3328 -43.3328 -43.3081 -43.3081 -20.3805 -20.3805 -20.3797 -20.3797 -19.5519 -19.5519 -19.4884 -19.4884 -18.9973 -18.9973 -18.8544 -18.8544 4.9492 4.9492 5.1983 5.1983 6.0710 6.0710 6.7841 6.7841 7.9915 7.9915 8.2240 8.2240 8.5389 8.5389 8.8593 8.8593 9.0375 9.0375 9.2975 9.2975 10.5364 10.5364 10.6401 10.6401 13.4505 13.4505 14.1670 14.1670 14.3839 14.3839 15.2799 15.2799 15.5015 15.5015 15.8992 15.8992 k = 0.1176-0.0000 0.5644 ( 4492 PWs) bands (ev): -43.3326 -43.3326 -43.3083 -43.3083 -20.3805 -20.3805 -20.3797 -20.3797 -19.5519 -19.5519 -19.4897 -19.4897 -18.9954 -18.9954 -18.8551 -18.8551 4.9509 4.9509 5.1958 5.1958 6.0783 6.0783 6.7791 6.7791 7.9936 7.9936 8.2226 8.2226 8.5453 8.5453 8.8611 8.8611 9.0348 9.0348 9.2953 9.2953 10.5487 10.5487 10.6588 10.6588 13.4095 13.4095 14.1536 14.1536 14.3719 14.3719 15.2744 15.2744 15.5075 15.5075 15.8995 15.8995 k = 0.1324-0.0000 0.5644 ( 4494 PWs) bands (ev): -43.3323 -43.3323 -43.3085 -43.3085 -20.3805 -20.3805 -20.3798 -20.3798 -19.5519 -19.5519 -19.4911 -19.4911 -18.9932 -18.9932 -18.8558 -18.8558 4.9527 4.9527 5.1930 5.1930 6.0865 6.0865 6.7735 6.7735 7.9961 7.9961 8.2210 8.2210 8.5524 8.5524 8.8631 8.8631 9.0319 9.0319 9.2929 9.2929 10.5627 10.5627 10.6800 10.6800 13.3641 13.3641 14.1346 14.1346 14.3617 14.3617 15.2676 15.2676 15.5145 15.5145 15.8998 15.8998 k = 0.1471-0.0000 0.5644 ( 4490 PWs) bands (ev): -43.3321 -43.3321 -43.3088 -43.3088 -20.3805 -20.3805 -20.3798 -20.3798 -19.5519 -19.5519 -19.4927 -19.4927 -18.9908 -18.9908 -18.8566 -18.8566 4.9548 4.9548 5.1898 5.1898 6.0956 6.0956 6.7673 6.7673 7.9989 7.9989 8.2192 8.2192 8.5602 8.5602 8.8652 8.8652 9.0290 9.0290 9.2901 9.2901 10.5783 10.5783 10.7038 10.7038 13.3148 13.3148 14.1089 14.1089 14.3542 14.3542 15.2593 15.2593 15.5225 15.5225 15.9002 15.9002 k = 0.1618-0.0000 0.5644 ( 4490 PWs) bands (ev): -43.3318 -43.3318 -43.3091 -43.3091 -20.3805 -20.3805 -20.3798 -20.3798 -19.5519 -19.5519 -19.4943 -19.4943 -18.9883 -18.9883 -18.8575 -18.8575 4.9571 4.9571 5.1864 5.1864 6.1055 6.1055 6.7605 6.7605 8.0019 8.0019 8.2172 8.2172 8.5685 8.5685 8.8673 8.8673 9.0261 9.0261 9.2869 9.2869 10.5956 10.5956 10.7300 10.7300 13.2621 13.2621 14.0761 14.0761 14.3498 14.3498 15.2493 15.2493 15.5317 15.5317 15.9006 15.9006 k = 0.1765-0.0000 0.5644 ( 4488 PWs) bands (ev): -43.3315 -43.3315 -43.3094 -43.3094 -20.3805 -20.3805 -20.3798 -20.3798 -19.5518 -19.5518 -19.4961 -19.4961 -18.9855 -18.9855 -18.8586 -18.8586 4.9596 4.9596 5.1827 5.1827 6.1162 6.1162 6.7530 6.7530 8.0052 8.0052 8.2150 8.2150 8.5774 8.5774 8.8694 8.8694 9.0234 9.0234 9.2834 9.2834 10.6147 10.6147 10.7587 10.7587 13.2061 13.2061 14.0361 14.0361 14.3486 14.3486 15.2375 15.2375 15.5421 15.5421 15.9011 15.9011 k = 0.1912-0.0000 0.5644 ( 4488 PWs) bands (ev): -43.3312 -43.3312 -43.3097 -43.3097 -20.3806 -20.3806 -20.3799 -20.3799 -19.5517 -19.5517 -19.4979 -19.4979 -18.9826 -18.9826 -18.8597 -18.8597 4.9623 4.9623 5.1787 5.1787 6.1277 6.1277 6.7450 6.7450 8.0087 8.0087 8.2126 8.2126 8.5866 8.5866 8.8713 8.8713 9.0208 9.0208 9.2795 9.2795 10.6354 10.6354 10.7899 10.7899 13.1475 13.1475 13.9894 13.9894 14.3502 14.3502 15.2240 15.2240 15.5535 15.5535 15.9015 15.9015 k = 0.2059-0.0000 0.5644 ( 4490 PWs) bands (ev): -43.3308 -43.3308 -43.3100 -43.3100 -20.3806 -20.3806 -20.3799 -20.3799 -19.5517 -19.5517 -19.4998 -19.4998 -18.9795 -18.9795 -18.8609 -18.8609 4.9652 4.9652 5.1745 5.1745 6.1399 6.1399 6.7364 6.7364 8.0125 8.0125 8.2099 8.2099 8.5963 8.5963 8.8730 8.8730 9.0186 9.0186 9.2753 9.2753 10.6578 10.6578 10.8235 10.8235 13.0865 13.0865 13.9366 13.9366 14.3543 14.3543 15.2087 15.2087 15.5661 15.5661 15.9021 15.9021 k = 0.2206-0.0000 0.5644 ( 4492 PWs) bands (ev): -43.3304 -43.3304 -43.3104 -43.3104 -20.3806 -20.3806 -20.3799 -20.3799 -19.5515 -19.5515 -19.5018 -19.5018 -18.9763 -18.9763 -18.8622 -18.8622 4.9683 4.9683 5.1700 5.1700 6.1528 6.1528 6.7273 6.7273 8.0165 8.0165 8.2071 8.2071 8.6063 8.6063 8.8743 8.8743 9.0169 9.0169 9.2707 9.2707 10.6820 10.6820 10.8595 10.8595 13.0235 13.0235 13.8781 13.8781 14.3605 14.3605 15.1916 15.1916 15.5798 15.5798 15.9026 15.9026 k = 0.2353-0.0000 0.5644 ( 4490 PWs) bands (ev): -43.3300 -43.3300 -43.3108 -43.3108 -20.3806 -20.3806 -20.3800 -20.3800 -19.5514 -19.5514 -19.5039 -19.5039 -18.9730 -18.9730 -18.8636 -18.8636 4.9717 4.9717 5.1653 5.1653 6.1664 6.1664 6.7176 6.7176 8.0208 8.0208 8.2041 8.2041 8.6165 8.6165 8.8752 8.8752 9.0158 9.0158 9.2657 9.2657 10.7078 10.7078 10.8978 10.8978 12.9590 12.9590 13.8146 13.8146 14.3685 14.3685 15.1729 15.1729 15.5944 15.5944 15.9030 15.9030 k = 0.2500-0.0000 0.5644 ( 4496 PWs) bands (ev): -43.3296 -43.3296 -43.3112 -43.3112 -20.3806 -20.3806 -20.3800 -20.3800 -19.5512 -19.5512 -19.5060 -19.5060 -18.9695 -18.9695 -18.8651 -18.8651 4.9752 4.9752 5.1604 5.1604 6.1805 6.1805 6.7074 6.7074 8.0253 8.0253 8.2008 8.2008 8.6269 8.6269 8.8755 8.8755 9.0155 9.0155 9.2603 9.2603 10.7354 10.7354 10.9383 10.9383 12.8935 12.8935 13.7466 13.7466 14.3780 14.3780 15.1525 15.1525 15.6100 15.6100 15.9034 15.9034 k = 0.2647-0.0000 0.5644 ( 4500 PWs) bands (ev): -43.3292 -43.3292 -43.3117 -43.3117 -20.3806 -20.3806 -20.3800 -20.3800 -19.5509 -19.5509 -19.5081 -19.5081 -18.9660 -18.9660 -18.8667 -18.8667 4.9789 4.9789 5.1553 5.1553 6.1952 6.1952 6.6966 6.6966 8.0299 8.0299 8.1973 8.1973 8.6375 8.6375 8.8752 8.8752 9.0160 9.0160 9.2546 9.2546 10.7647 10.7647 10.9809 10.9809 12.8273 12.8273 13.6746 13.6746 14.3889 14.3889 15.1307 15.1307 15.6263 15.6263 15.9038 15.9038 k = 0.2794-0.0000 0.5644 ( 4494 PWs) bands (ev): -43.3287 -43.3287 -43.3121 -43.3121 -20.3806 -20.3806 -20.3801 -20.3801 -19.5506 -19.5506 -19.5102 -19.5102 -18.9623 -18.9623 -18.8685 -18.8685 4.9828 4.9828 5.1500 5.1500 6.2104 6.2104 6.6854 6.6854 8.0348 8.0348 8.1937 8.1937 8.6481 8.6481 8.8741 8.8741 9.0174 9.0174 9.2485 9.2485 10.7957 10.7957 11.0253 11.0253 12.7609 12.7609 13.5991 13.5991 14.4010 14.4010 15.1075 15.1075 15.6433 15.6433 15.9040 15.9040 k = 0.2941-0.0000 0.5644 ( 4494 PWs) bands (ev): -43.3283 -43.3283 -43.3126 -43.3126 -20.3807 -20.3807 -20.3801 -20.3801 -19.5503 -19.5503 -19.5124 -19.5124 -18.9587 -18.9587 -18.8703 -18.8703 4.9869 4.9869 5.1446 5.1446 6.2260 6.2260 6.6736 6.6736 8.0398 8.0398 8.1898 8.1898 8.6587 8.6587 8.8724 8.8724 9.0197 9.0197 9.2420 9.2420 10.8283 10.8283 11.0714 11.0714 12.6948 12.6948 13.5205 13.5205 14.4144 14.4144 15.0831 15.0831 15.6607 15.6607 15.9040 15.9040 k = 0.3088-0.0000 0.5644 ( 4492 PWs) bands (ev): -43.3278 -43.3278 -43.3131 -43.3131 -20.3807 -20.3807 -20.3802 -20.3802 -19.5499 -19.5499 -19.5145 -19.5145 -18.9549 -18.9549 -18.8722 -18.8722 4.9912 4.9912 5.1390 5.1390 6.2421 6.2421 6.6614 6.6614 8.0450 8.0450 8.1858 8.1858 8.6693 8.6693 8.8698 8.8698 9.0230 9.0230 9.2352 9.2352 10.8626 10.8626 11.1189 11.1189 12.6295 12.6295 13.4395 13.4395 14.4288 14.4288 15.0577 15.0577 15.6785 15.6785 15.9039 15.9039 k = 0.3235-0.0000 0.5644 ( 4498 PWs) bands (ev): -43.3273 -43.3273 -43.3136 -43.3136 -20.3807 -20.3807 -20.3802 -20.3802 -19.5495 -19.5495 -19.5166 -19.5166 -18.9512 -18.9512 -18.8743 -18.8743 4.9957 4.9957 5.1333 5.1333 6.2585 6.2585 6.6487 6.6487 8.0503 8.0503 8.1816 8.1816 8.6798 8.6798 8.8666 8.8666 9.0273 9.0273 9.2280 9.2280 10.8985 10.8985 11.1672 11.1672 12.5658 12.5658 13.3565 13.3565 14.4443 14.4443 15.0314 15.0314 15.6964 15.6964 15.9035 15.9035 k = 0.3382-0.0000 0.5644 ( 4494 PWs) bands (ev): -43.3267 -43.3267 -43.3141 -43.3141 -20.3807 -20.3807 -20.3802 -20.3802 -19.5490 -19.5490 -19.5188 -19.5188 -18.9474 -18.9474 -18.8765 -18.8765 5.0003 5.0003 5.1275 5.1275 6.2752 6.2752 6.6355 6.6355 8.0558 8.0558 8.1772 8.1772 8.6902 8.6902 8.8627 8.8627 9.0324 9.0324 9.2205 9.2205 10.9360 10.9360 11.2159 11.2159 12.5045 12.5045 13.2719 13.2719 14.4608 14.4608 15.0044 15.0044 15.7142 15.7142 15.9028 15.9028 k = 0.3529-0.0000 0.5644 ( 4484 PWs) bands (ev): -43.3262 -43.3262 -43.3146 -43.3146 -20.3807 -20.3807 -20.3803 -20.3803 -19.5484 -19.5484 -19.5208 -19.5208 -18.9436 -18.9436 -18.8787 -18.8787 5.0051 5.0051 5.1215 5.1215 6.2922 6.2922 6.6220 6.6220 8.0613 8.0613 8.1726 8.1726 8.7004 8.7004 8.8582 8.8582 9.0383 9.0383 9.2127 9.2127 10.9749 10.9749 11.2641 11.2641 12.4464 12.4464 13.1862 13.1862 14.4783 14.4783 14.9769 14.9769 15.7318 15.7318 15.9018 15.9018 k = 0.3676-0.0000 0.5644 ( 4482 PWs) bands (ev): -43.3257 -43.3257 -43.3152 -43.3152 -20.3807 -20.3807 -20.3803 -20.3803 -19.5477 -19.5477 -19.5229 -19.5229 -18.9398 -18.9398 -18.8811 -18.8811 5.0100 5.0100 5.1156 5.1156 6.3093 6.3093 6.6079 6.6079 8.0670 8.0670 8.1679 8.1679 8.7105 8.7105 8.8532 8.8532 9.0449 9.0449 9.2046 9.2046 11.0153 11.0153 11.3108 11.3108 12.3927 12.3927 13.1000 13.1000 14.4967 14.4967 14.9490 14.9490 15.7489 15.7489 15.9004 15.9004 k = 0.3824-0.0000 0.5644 ( 4476 PWs) bands (ev): -43.3251 -43.3251 -43.3157 -43.3157 -20.3807 -20.3807 -20.3803 -20.3803 -19.5470 -19.5470 -19.5249 -19.5249 -18.9360 -18.9360 -18.8836 -18.8836 5.0151 5.0151 5.1095 5.1095 6.3267 6.3267 6.5935 6.5935 8.0727 8.0727 8.1630 8.1630 8.7204 8.7204 8.8477 8.8477 9.0521 9.0521 9.1963 9.1963 11.0568 11.0568 11.3545 11.3545 12.3451 12.3451 13.0137 13.0137 14.5161 14.5161 14.9208 14.9208 15.7654 15.7654 15.8986 15.8986 k = 0.3971-0.0000 0.5644 ( 4476 PWs) bands (ev): -43.3245 -43.3245 -43.3163 -43.3163 -20.3807 -20.3807 -20.3804 -20.3804 -19.5462 -19.5462 -19.5268 -19.5268 -18.9322 -18.9322 -18.8862 -18.8862 5.0204 5.0204 5.1034 5.1034 6.3441 6.3441 6.5787 6.5787 8.0785 8.0785 8.1579 8.1579 8.7301 8.7301 8.8418 8.8418 9.0598 9.0598 9.1876 9.1876 11.0994 11.0994 11.3935 11.3935 12.3055 12.3055 12.9278 12.9278 14.5363 14.5363 14.8926 14.8926 15.7811 15.7811 15.8964 15.8964 k = 0.4118-0.0000 0.5644 ( 4476 PWs) bands (ev): -43.3240 -43.3240 -43.3168 -43.3168 -20.3807 -20.3807 -20.3804 -20.3804 -19.5454 -19.5454 -19.5287 -19.5287 -18.9285 -18.9285 -18.8889 -18.8889 5.0258 5.0258 5.0972 5.0972 6.3617 6.3617 6.5636 6.5636 8.0844 8.0844 8.1528 8.1528 8.7396 8.7396 8.8355 8.8355 9.0680 9.0680 9.1788 9.1788 11.1428 11.1428 11.4254 11.4254 12.2762 12.2762 12.8429 12.8429 14.5574 14.5574 14.8643 14.8643 15.7959 15.7959 15.8936 15.8936 k = 0.4265-0.0000 0.5644 ( 4470 PWs) bands (ev): -43.3234 -43.3234 -43.3174 -43.3174 -20.3807 -20.3807 -20.3805 -20.3805 -19.5444 -19.5444 -19.5305 -19.5305 -18.9248 -18.9248 -18.8917 -18.8917 5.0313 5.0313 5.0910 5.0910 6.3792 6.3792 6.5481 6.5481 8.0902 8.0902 8.1475 8.1475 8.7488 8.7488 8.8289 8.8289 9.0765 9.0765 9.1697 9.1697 11.1867 11.1867 11.4480 11.4480 12.2596 12.2596 12.7595 12.7595 14.5793 14.5793 14.8361 14.8361 15.8096 15.8096 15.8902 15.8902 k = 0.4412-0.0000 0.5644 ( 4468 PWs) bands (ev): -43.3228 -43.3228 -43.3180 -43.3180 -20.3807 -20.3807 -20.3805 -20.3805 -19.5434 -19.5434 -19.5322 -19.5322 -18.9211 -18.9211 -18.8946 -18.8946 5.0369 5.0369 5.0849 5.0849 6.3968 6.3968 6.5322 6.5322 8.0961 8.0961 8.1421 8.1421 8.7579 8.7579 8.8219 8.8219 9.0854 9.0854 9.1605 9.1605 11.2307 11.2307 11.4592 11.4592 12.2578 12.2578 12.6784 12.6784 14.6021 14.6021 14.8082 14.8082 15.8223 15.8223 15.8861 15.8861 k = 0.4559-0.0000 0.5644 ( 4466 PWs) bands (ev): -43.3222 -43.3222 -43.3186 -43.3186 -20.3806 -20.3806 -20.3805 -20.3805 -19.5423 -19.5423 -19.5339 -19.5339 -18.9175 -18.9175 -18.8976 -18.8976 5.0426 5.0426 5.0787 5.0787 6.4143 6.4143 6.5161 6.5161 8.1020 8.1020 8.1366 8.1366 8.7667 8.7667 8.8148 8.8148 9.0945 9.0945 9.1512 9.1512 11.2742 11.2742 11.4582 11.4582 12.2716 12.2716 12.6004 12.6004 14.6256 14.6256 14.7806 14.7806 15.8339 15.8339 15.8813 15.8813 k = 0.4706-0.0000 0.5644 ( 4470 PWs) bands (ev): -43.3216 -43.3216 -43.3192 -43.3192 -20.3806 -20.3806 -20.3805 -20.3805 -19.5411 -19.5411 -19.5355 -19.5355 -18.9140 -18.9140 -18.9007 -18.9007 5.0485 5.0485 5.0726 5.0726 6.4317 6.4317 6.4996 6.4996 8.1079 8.1079 8.1310 8.1310 8.7753 8.7753 8.8073 8.8073 9.1038 9.1038 9.1417 9.1417 11.3163 11.3163 11.4454 11.4454 12.3004 12.3004 12.5264 12.5264 14.6498 14.6498 14.7533 14.7533 15.8443 15.8443 15.8758 15.8758 k = 0.4853-0.0000 0.5644 ( 4468 PWs) bands (ev): -43.3210 -43.3210 -43.3198 -43.3198 -20.3806 -20.3806 -20.3806 -20.3806 -19.5398 -19.5398 -19.5370 -19.5370 -18.9106 -18.9106 -18.9039 -18.9039 5.0544 5.0544 5.0664 5.0664 6.4489 6.4489 6.4830 6.4830 8.1137 8.1137 8.1253 8.1253 8.7836 8.7836 8.7997 8.7997 9.1132 9.1132 9.1322 9.1322 11.3562 11.3562 11.4227 11.4227 12.3426 12.3426 12.4577 12.4577 14.6748 14.6748 14.7266 14.7266 15.8537 15.8537 15.8694 15.8694 k = 0.5000-0.0000 0.5644 ( 4468 PWs) bands (ev): -43.3204 -43.3204 -43.3204 -43.3204 -20.3806 -20.3806 -20.3806 -20.3806 -19.5385 -19.5385 -19.5385 -19.5385 -18.9072 -18.9072 -18.9072 -18.9072 5.0604 5.0604 5.0604 5.0604 6.4660 6.4660 6.4660 6.4660 8.1195 8.1195 8.1195 8.1195 8.7918 8.7918 8.7918 8.7918 9.1227 9.1227 9.1227 9.1227 11.3922 11.3922 11.3922 11.3922 12.3957 12.3957 12.3957 12.3957 14.7004 14.7004 14.7004 14.7004 15.8620 15.8620 15.8620 15.8620 Writing output data file TiNi.save init_run : 0.25s CPU 0.46s WALL ( 1 calls) electrons : 281.73s CPU 285.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.00s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 281.72s CPU 285.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 373 calls) cegterg : 270.46s CPU 274.05s WALL ( 802 calls) Called by sum_band: Called by *egterg: h_psi : 140.85s CPU 143.12s WALL ( 14379 calls) s_psi : 6.50s CPU 6.52s WALL ( 14379 calls) g_psi : 0.54s CPU 0.50s WALL ( 13204 calls) cdiaghg : 96.07s CPU 97.74s WALL ( 13577 calls) cegterg:over : 12.52s CPU 12.55s WALL ( 13204 calls) cegterg:upda : 10.50s CPU 10.54s WALL ( 13204 calls) cegterg:last : 6.56s CPU 6.49s WALL ( 2294 calls) cdiaghg:chol : 5.49s CPU 5.49s WALL ( 13577 calls) cdiaghg:inve : 3.51s CPU 3.68s WALL ( 13577 calls) cdiaghg:para : 5.90s CPU 5.73s WALL ( 27154 calls) Called by h_psi: h_psi:vloc : 118.99s CPU 121.05s WALL ( 14379 calls) h_psi:vnl : 21.36s CPU 21.60s WALL ( 14379 calls) add_vuspsi : 11.00s CPU 11.09s WALL ( 14379 calls) General routines calbec : 10.30s CPU 10.48s WALL ( 14379 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 112.65s CPU 114.48s WALL ( 1449988 calls) davcio : 0.23s CPU 0.26s WALL ( 746 calls) Parallel routines fft_scatter : 43.52s CPU 44.14s WALL ( 1450003 calls) PWSCF : 4m59.97s CPU 5m25.89s WALL This run was terminated on: 21: 2:53 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=