Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 23:21: 8 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./HgI2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 12 3 3139 819 123 Max 32 13 4 3149 849 142 Sum 2241 933 277 226415 60173 9649 bravais-lattice index = 14 lattice parameter (alat) = 8.2373 a.u. unit-cell volume = 1579.5948 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.237316 celldm(2)= 1.000000 celldm(3)= 2.826107 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.826107 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.353844 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) I 7.00 126.90450 I( 1.00) 16 Sym. Ops., with inversion, found (14 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4130535 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4130535 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4130535 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4130535 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -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 = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4130535 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -1.4130535 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4130535 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.4130535 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 298 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0135135 -0.0000000), wk = 0.0033557 k( 3) = ( 0.0000000 0.0270270 -0.0000000), wk = 0.0033557 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0033557 k( 8) = ( 0.0000000 0.0945946 -0.0000000), wk = 0.0033557 k( 9) = ( 0.0000000 0.1081081 -0.0000000), wk = 0.0033557 k( 10) = ( 0.0000000 0.1216216 -0.0000000), wk = 0.0033557 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0033557 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0033557 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0033557 k( 14) = ( 0.0000000 0.1756757 -0.0000000), wk = 0.0033557 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0033557 k( 16) = ( 0.0000000 0.2027027 -0.0000000), wk = 0.0033557 k( 17) = ( 0.0000000 0.2162162 -0.0000000), wk = 0.0033557 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0033557 k( 19) = ( 0.0000000 0.2432432 -0.0000000), wk = 0.0033557 k( 20) = ( 0.0000000 0.2567568 -0.0000000), wk = 0.0033557 k( 21) = ( 0.0000000 0.2702703 -0.0000000), wk = 0.0033557 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0033557 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0033557 k( 24) = ( 0.0000000 0.3108108 -0.0000000), wk = 0.0033557 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0033557 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0033557 k( 27) = ( 0.0000000 0.3513514 -0.0000000), wk = 0.0033557 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0033557 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0033557 k( 30) = ( 0.0000000 0.3918919 -0.0000000), wk = 0.0033557 k( 31) = ( 0.0000000 0.4054054 -0.0000000), wk = 0.0033557 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0033557 k( 33) = ( 0.0000000 0.4324324 -0.0000000), wk = 0.0033557 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0033557 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0033557 k( 36) = ( 0.0000000 0.4729730 -0.0000000), wk = 0.0033557 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0033557 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557 k( 40) = ( 0.0135135 0.5000000 -0.0000000), wk = 0.0033557 k( 41) = ( 0.0270270 0.5000000 -0.0000000), wk = 0.0033557 k( 42) = ( 0.0405405 0.5000000 -0.0000000), wk = 0.0033557 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0033557 k( 44) = ( 0.0675676 0.5000000 -0.0000000), wk = 0.0033557 k( 45) = ( 0.0810811 0.5000000 -0.0000000), wk = 0.0033557 k( 46) = ( 0.0945946 0.5000000 -0.0000000), wk = 0.0033557 k( 47) = ( 0.1081081 0.5000000 -0.0000000), wk = 0.0033557 k( 48) = ( 0.1216216 0.5000000 -0.0000000), wk = 0.0033557 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0033557 k( 50) = ( 0.1486486 0.5000000 -0.0000000), wk = 0.0033557 k( 51) = ( 0.1621622 0.5000000 -0.0000000), wk = 0.0033557 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0033557 k( 53) = ( 0.1891892 0.5000000 -0.0000000), wk = 0.0033557 k( 54) = ( 0.2027027 0.5000000 -0.0000000), wk = 0.0033557 k( 55) = ( 0.2162162 0.5000000 -0.0000000), wk = 0.0033557 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0033557 k( 57) = ( 0.2432432 0.5000000 -0.0000000), wk = 0.0033557 k( 58) = ( 0.2567568 0.5000000 -0.0000000), wk = 0.0033557 k( 59) = ( 0.2702703 0.5000000 -0.0000000), wk = 0.0033557 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0033557 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3108108 0.5000000 -0.0000000), wk = 0.0033557 k( 63) = ( 0.3243243 0.5000000 -0.0000000), wk = 0.0033557 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0033557 k( 65) = ( 0.3513514 0.5000000 -0.0000000), wk = 0.0033557 k( 66) = ( 0.3648649 0.5000000 -0.0000000), wk = 0.0033557 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0033557 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0033557 k( 69) = ( 0.4054054 0.5000000 -0.0000000), wk = 0.0033557 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0033557 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0033557 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0033557 k( 73) = ( 0.4594595 0.5000000 -0.0000000), wk = 0.0033557 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0033557 k( 75) = ( 0.4864865 0.5000000 -0.0000000), wk = 0.0033557 k( 76) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557 k( 77) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557 k( 78) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0033557 k( 79) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0033557 k( 80) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0033557 k( 81) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0033557 k( 82) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0033557 k( 83) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0033557 k( 84) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0033557 k( 85) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0033557 k( 86) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0033557 k( 87) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0033557 k( 88) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0033557 k( 89) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0033557 k( 90) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0033557 k( 91) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0033557 k( 92) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0033557 k( 93) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0033557 k( 94) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033557 k( 95) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0033557 k( 96) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0033557 k( 97) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0033557 k( 98) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0033557 k( 99) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0033557 k( 100) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0033557 k( 101) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0033557 k( 102) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0033557 k( 103) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0033557 k( 104) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0033557 k( 105) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0033557 k( 106) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0033557 k( 107) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0033557 k( 108) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0033557 k( 109) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0033557 k( 110) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0033557 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033557 k( 112) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0033557 k( 113) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0033557 k( 114) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0033557 k( 115) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0033557 k( 116) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0033557 k( 117) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0033557 k( 118) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0033557 k( 119) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0033557 k( 120) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0033557 k( 121) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0033557 k( 122) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0033557 k( 123) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0033557 k( 124) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0033557 k( 125) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0033557 k( 126) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0033557 k( 127) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.0136094), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.0272187), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.0408281), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.0544375), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.0680469), wk = 0.0033557 k( 135) = ( 0.0000000 0.0000000 0.0816562), wk = 0.0033557 k( 136) = ( 0.0000000 0.0000000 0.0952656), wk = 0.0033557 k( 137) = ( 0.0000000 0.0000000 0.1088750), wk = 0.0033557 k( 138) = ( 0.0000000 0.0000000 0.1224843), wk = 0.0033557 k( 139) = ( 0.0000000 0.0000000 0.1360937), wk = 0.0033557 k( 140) = ( 0.0000000 0.0000000 0.1497031), wk = 0.0033557 k( 141) = ( 0.0000000 0.0000000 0.1633125), wk = 0.0033557 k( 142) = ( 0.0000000 0.0000000 0.1769218), wk = 0.0033557 k( 143) = ( 0.0000000 0.0000000 0.1769218), wk = 0.0033557 k( 144) = ( 0.0000000 0.0135135 0.1769218), wk = 0.0033557 k( 145) = ( 0.0000000 0.0270270 0.1769218), wk = 0.0033557 k( 146) = ( 0.0000000 0.0405405 0.1769218), wk = 0.0033557 k( 147) = ( 0.0000000 0.0540540 0.1769218), wk = 0.0033557 k( 148) = ( 0.0000000 0.0675676 0.1769218), wk = 0.0033557 k( 149) = ( 0.0000000 0.0810811 0.1769218), wk = 0.0033557 k( 150) = ( 0.0000000 0.0945946 0.1769218), wk = 0.0033557 k( 151) = ( 0.0000000 0.1081081 0.1769218), wk = 0.0033557 k( 152) = ( 0.0000000 0.1216216 0.1769218), wk = 0.0033557 k( 153) = ( 0.0000000 0.1351351 0.1769218), wk = 0.0033557 k( 154) = ( 0.0000000 0.1486486 0.1769218), wk = 0.0033557 k( 155) = ( 0.0000000 0.1621622 0.1769218), wk = 0.0033557 k( 156) = ( 0.0000000 0.1756757 0.1769218), wk = 0.0033557 k( 157) = ( 0.0000000 0.1891892 0.1769218), wk = 0.0033557 k( 158) = ( 0.0000000 0.2027027 0.1769218), wk = 0.0033557 k( 159) = ( 0.0000000 0.2162162 0.1769218), wk = 0.0033557 k( 160) = ( 0.0000000 0.2297297 0.1769218), wk = 0.0033557 k( 161) = ( 0.0000000 0.2432432 0.1769218), wk = 0.0033557 k( 162) = ( 0.0000000 0.2567568 0.1769218), wk = 0.0033557 k( 163) = ( 0.0000000 0.2702703 0.1769218), wk = 0.0033557 k( 164) = ( 0.0000000 0.2837838 0.1769218), wk = 0.0033557 k( 165) = ( 0.0000000 0.2972973 0.1769218), wk = 0.0033557 k( 166) = ( 0.0000000 0.3108108 0.1769218), wk = 0.0033557 k( 167) = ( 0.0000000 0.3243243 0.1769218), wk = 0.0033557 k( 168) = ( 0.0000000 0.3378378 0.1769218), wk = 0.0033557 k( 169) = ( 0.0000000 0.3513514 0.1769218), wk = 0.0033557 k( 170) = ( 0.0000000 0.3648649 0.1769218), wk = 0.0033557 k( 171) = ( 0.0000000 0.3783784 0.1769218), wk = 0.0033557 k( 172) = ( 0.0000000 0.3918919 0.1769218), wk = 0.0033557 k( 173) = ( 0.0000000 0.4054054 0.1769218), wk = 0.0033557 k( 174) = ( 0.0000000 0.4189189 0.1769218), wk = 0.0033557 k( 175) = ( 0.0000000 0.4324324 0.1769218), wk = 0.0033557 k( 176) = ( 0.0000000 0.4459459 0.1769218), wk = 0.0033557 k( 177) = ( 0.0000000 0.4594595 0.1769218), wk = 0.0033557 k( 178) = ( 0.0000000 0.4729730 0.1769218), wk = 0.0033557 k( 179) = ( 0.0000000 0.4864865 0.1769218), wk = 0.0033557 k( 180) = ( 0.0000000 0.5000000 0.1769218), wk = 0.0033557 k( 181) = ( 0.0000000 0.5000000 0.1769218), wk = 0.0033557 k( 182) = ( 0.0135135 0.5000000 0.1769218), wk = 0.0033557 k( 183) = ( 0.0270270 0.5000000 0.1769218), wk = 0.0033557 k( 184) = ( 0.0405405 0.5000000 0.1769218), wk = 0.0033557 k( 185) = ( 0.0540540 0.5000000 0.1769218), wk = 0.0033557 k( 186) = ( 0.0675676 0.5000000 0.1769218), wk = 0.0033557 k( 187) = ( 0.0810811 0.5000000 0.1769218), wk = 0.0033557 k( 188) = ( 0.0945946 0.5000000 0.1769218), wk = 0.0033557 k( 189) = ( 0.1081081 0.5000000 0.1769218), wk = 0.0033557 k( 190) = ( 0.1216216 0.5000000 0.1769218), wk = 0.0033557 k( 191) = ( 0.1351351 0.5000000 0.1769218), wk = 0.0033557 k( 192) = ( 0.1486486 0.5000000 0.1769218), wk = 0.0033557 k( 193) = ( 0.1621622 0.5000000 0.1769218), wk = 0.0033557 k( 194) = ( 0.1756757 0.5000000 0.1769218), wk = 0.0033557 k( 195) = ( 0.1891892 0.5000000 0.1769218), wk = 0.0033557 k( 196) = ( 0.2027027 0.5000000 0.1769218), wk = 0.0033557 k( 197) = ( 0.2162162 0.5000000 0.1769218), wk = 0.0033557 k( 198) = ( 0.2297297 0.5000000 0.1769218), wk = 0.0033557 k( 199) = ( 0.2432432 0.5000000 0.1769218), wk = 0.0033557 k( 200) = ( 0.2567568 0.5000000 0.1769218), wk = 0.0033557 k( 201) = ( 0.2702703 0.5000000 0.1769218), wk = 0.0033557 k( 202) = ( 0.2837838 0.5000000 0.1769218), wk = 0.0033557 k( 203) = ( 0.2972973 0.5000000 0.1769218), wk = 0.0033557 k( 204) = ( 0.3108108 0.5000000 0.1769218), wk = 0.0033557 k( 205) = ( 0.3243243 0.5000000 0.1769218), wk = 0.0033557 k( 206) = ( 0.3378378 0.5000000 0.1769218), wk = 0.0033557 k( 207) = ( 0.3513514 0.5000000 0.1769218), wk = 0.0033557 k( 208) = ( 0.3648649 0.5000000 0.1769218), wk = 0.0033557 k( 209) = ( 0.3783784 0.5000000 0.1769218), wk = 0.0033557 k( 210) = ( 0.3918919 0.5000000 0.1769218), wk = 0.0033557 k( 211) = ( 0.4054054 0.5000000 0.1769218), wk = 0.0033557 k( 212) = ( 0.4189189 0.5000000 0.1769218), wk = 0.0033557 k( 213) = ( 0.4324324 0.5000000 0.1769218), wk = 0.0033557 k( 214) = ( 0.4459459 0.5000000 0.1769218), wk = 0.0033557 k( 215) = ( 0.4594595 0.5000000 0.1769218), wk = 0.0033557 k( 216) = ( 0.4729730 0.5000000 0.1769218), wk = 0.0033557 k( 217) = ( 0.4864865 0.5000000 0.1769218), wk = 0.0033557 k( 218) = ( 0.5000000 0.5000000 0.1769218), wk = 0.0033557 k( 219) = ( 0.5000000 0.5000000 0.1769218), wk = 0.0033557 k( 220) = ( 0.4901961 0.4901961 0.1769218), wk = 0.0033557 k( 221) = ( 0.4803922 0.4803922 0.1769218), wk = 0.0033557 k( 222) = ( 0.4705882 0.4705882 0.1769218), wk = 0.0033557 k( 223) = ( 0.4607843 0.4607843 0.1769218), wk = 0.0033557 k( 224) = ( 0.4509804 0.4509804 0.1769218), wk = 0.0033557 k( 225) = ( 0.4411765 0.4411765 0.1769218), wk = 0.0033557 k( 226) = ( 0.4313726 0.4313725 0.1769218), wk = 0.0033557 k( 227) = ( 0.4215686 0.4215686 0.1769218), wk = 0.0033557 k( 228) = ( 0.4117647 0.4117647 0.1769218), wk = 0.0033557 k( 229) = ( 0.4019608 0.4019608 0.1769218), wk = 0.0033557 k( 230) = ( 0.3921569 0.3921569 0.1769218), wk = 0.0033557 k( 231) = ( 0.3823529 0.3823529 0.1769218), wk = 0.0033557 k( 232) = ( 0.3725490 0.3725490 0.1769218), wk = 0.0033557 k( 233) = ( 0.3627451 0.3627451 0.1769218), wk = 0.0033557 k( 234) = ( 0.3529412 0.3529412 0.1769218), wk = 0.0033557 k( 235) = ( 0.3431373 0.3431372 0.1769218), wk = 0.0033557 k( 236) = ( 0.3333333 0.3333333 0.1769218), wk = 0.0033557 k( 237) = ( 0.3235294 0.3235294 0.1769218), wk = 0.0033557 k( 238) = ( 0.3137255 0.3137255 0.1769218), wk = 0.0033557 k( 239) = ( 0.3039216 0.3039216 0.1769218), wk = 0.0033557 k( 240) = ( 0.2941177 0.2941176 0.1769218), wk = 0.0033557 k( 241) = ( 0.2843137 0.2843137 0.1769218), wk = 0.0033557 k( 242) = ( 0.2745098 0.2745098 0.1769218), wk = 0.0033557 k( 243) = ( 0.2647059 0.2647059 0.1769218), wk = 0.0033557 k( 244) = ( 0.2549020 0.2549020 0.1769218), wk = 0.0033557 k( 245) = ( 0.2450980 0.2450980 0.1769218), wk = 0.0033557 k( 246) = ( 0.2352941 0.2352941 0.1769218), wk = 0.0033557 k( 247) = ( 0.2254902 0.2254902 0.1769218), wk = 0.0033557 k( 248) = ( 0.2156863 0.2156863 0.1769218), wk = 0.0033557 k( 249) = ( 0.2058823 0.2058823 0.1769218), wk = 0.0033557 k( 250) = ( 0.1960784 0.1960784 0.1769218), wk = 0.0033557 k( 251) = ( 0.1862745 0.1862745 0.1769218), wk = 0.0033557 k( 252) = ( 0.1764706 0.1764706 0.1769218), wk = 0.0033557 k( 253) = ( 0.1666667 0.1666667 0.1769218), wk = 0.0033557 k( 254) = ( 0.1568627 0.1568627 0.1769218), wk = 0.0033557 k( 255) = ( 0.1470588 0.1470588 0.1769218), wk = 0.0033557 k( 256) = ( 0.1372549 0.1372549 0.1769218), wk = 0.0033557 k( 257) = ( 0.1274510 0.1274510 0.1769218), wk = 0.0033557 k( 258) = ( 0.1176471 0.1176471 0.1769218), wk = 0.0033557 k( 259) = ( 0.1078431 0.1078431 0.1769218), wk = 0.0033557 k( 260) = ( 0.0980392 0.0980392 0.1769218), wk = 0.0033557 k( 261) = ( 0.0882353 0.0882353 0.1769218), wk = 0.0033557 k( 262) = ( 0.0784314 0.0784314 0.1769218), wk = 0.0033557 k( 263) = ( 0.0686275 0.0686275 0.1769218), wk = 0.0033557 k( 264) = ( 0.0588235 0.0588235 0.1769218), wk = 0.0033557 k( 265) = ( 0.0490196 0.0490196 0.1769218), wk = 0.0033557 k( 266) = ( 0.0392157 0.0392157 0.1769218), wk = 0.0033557 k( 267) = ( 0.0294118 0.0294118 0.1769218), wk = 0.0033557 k( 268) = ( 0.0196078 0.0196078 0.1769218), wk = 0.0033557 k( 269) = ( 0.0098039 0.0098039 0.1769218), wk = 0.0033557 k( 270) = ( 0.0000000 0.0000000 0.1769218), wk = 0.0033557 k( 271) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033557 k( 272) = ( 0.0000000 0.5000000 0.0136094), wk = 0.0033557 k( 273) = ( 0.0000000 0.5000000 0.0272187), wk = 0.0033557 k( 274) = ( 0.0000000 0.5000000 0.0408281), wk = 0.0033557 k( 275) = ( 0.0000000 0.5000000 0.0544375), wk = 0.0033557 k( 276) = ( 0.0000000 0.5000000 0.0680469), wk = 0.0033557 k( 277) = ( 0.0000000 0.5000000 0.0816562), wk = 0.0033557 k( 278) = ( 0.0000000 0.5000000 0.0952656), wk = 0.0033557 k( 279) = ( 0.0000000 0.5000000 0.1088750), wk = 0.0033557 k( 280) = ( 0.0000000 0.5000000 0.1224843), wk = 0.0033557 k( 281) = ( 0.0000000 0.5000000 0.1360937), wk = 0.0033557 k( 282) = ( 0.0000000 0.5000000 0.1497031), wk = 0.0033557 k( 283) = ( 0.0000000 0.5000000 0.1633125), wk = 0.0033557 k( 284) = ( 0.0000000 0.5000000 0.1769218), wk = 0.0033557 k( 285) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033557 k( 286) = ( 0.5000000 0.5000000 0.0136094), wk = 0.0033557 k( 287) = ( 0.5000000 0.5000000 0.0272187), wk = 0.0033557 k( 288) = ( 0.5000000 0.5000000 0.0408281), wk = 0.0033557 k( 289) = ( 0.5000000 0.5000000 0.0544375), wk = 0.0033557 k( 290) = ( 0.5000000 0.5000000 0.0680469), wk = 0.0033557 k( 291) = ( 0.5000000 0.5000000 0.0816562), wk = 0.0033557 k( 292) = ( 0.5000000 0.5000000 0.0952656), wk = 0.0033557 k( 293) = ( 0.5000000 0.5000000 0.1088750), wk = 0.0033557 k( 294) = ( 0.5000000 0.5000000 0.1224843), wk = 0.0033557 k( 295) = ( 0.5000000 0.5000000 0.1360937), wk = 0.0033557 k( 296) = ( 0.5000000 0.5000000 0.1497031), wk = 0.0033557 k( 297) = ( 0.5000000 0.5000000 0.1633125), wk = 0.0033557 k( 298) = ( 0.5000000 0.5000000 0.1769218), wk = 0.0033557 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 2) = ( 0.0000000 0.0135135 0.0000000), wk = 0.0033557 k( 3) = ( 0.0000000 0.0270270 0.0000000), wk = 0.0033557 k( 4) = ( 0.0000000 0.0405405 -0.0000000), wk = 0.0033557 k( 5) = ( 0.0000000 0.0540540 -0.0000000), wk = 0.0033557 k( 6) = ( 0.0000000 0.0675676 -0.0000000), wk = 0.0033557 k( 7) = ( 0.0000000 0.0810811 -0.0000000), wk = 0.0033557 k( 8) = ( 0.0000000 0.0945946 0.0000000), wk = 0.0033557 k( 9) = ( 0.0000000 0.1081081 0.0000000), wk = 0.0033557 k( 10) = ( 0.0000000 0.1216216 0.0000000), wk = 0.0033557 k( 11) = ( 0.0000000 0.1351351 -0.0000000), wk = 0.0033557 k( 12) = ( 0.0000000 0.1486486 -0.0000000), wk = 0.0033557 k( 13) = ( 0.0000000 0.1621622 -0.0000000), wk = 0.0033557 k( 14) = ( 0.0000000 0.1756757 0.0000000), wk = 0.0033557 k( 15) = ( 0.0000000 0.1891892 -0.0000000), wk = 0.0033557 k( 16) = ( 0.0000000 0.2027027 0.0000000), wk = 0.0033557 k( 17) = ( 0.0000000 0.2162162 0.0000000), wk = 0.0033557 k( 18) = ( 0.0000000 0.2297297 -0.0000000), wk = 0.0033557 k( 19) = ( 0.0000000 0.2432432 0.0000000), wk = 0.0033557 k( 20) = ( 0.0000000 0.2567568 0.0000000), wk = 0.0033557 k( 21) = ( 0.0000000 0.2702703 0.0000000), wk = 0.0033557 k( 22) = ( 0.0000000 0.2837838 -0.0000000), wk = 0.0033557 k( 23) = ( 0.0000000 0.2972973 -0.0000000), wk = 0.0033557 k( 24) = ( 0.0000000 0.3108108 0.0000000), wk = 0.0033557 k( 25) = ( 0.0000000 0.3243243 -0.0000000), wk = 0.0033557 k( 26) = ( 0.0000000 0.3378378 -0.0000000), wk = 0.0033557 k( 27) = ( 0.0000000 0.3513514 0.0000000), wk = 0.0033557 k( 28) = ( 0.0000000 0.3648649 -0.0000000), wk = 0.0033557 k( 29) = ( 0.0000000 0.3783784 -0.0000000), wk = 0.0033557 k( 30) = ( 0.0000000 0.3918919 0.0000000), wk = 0.0033557 k( 31) = ( 0.0000000 0.4054054 0.0000000), wk = 0.0033557 k( 32) = ( 0.0000000 0.4189189 -0.0000000), wk = 0.0033557 k( 33) = ( 0.0000000 0.4324324 0.0000000), wk = 0.0033557 k( 34) = ( 0.0000000 0.4459459 -0.0000000), wk = 0.0033557 k( 35) = ( 0.0000000 0.4594595 -0.0000000), wk = 0.0033557 k( 36) = ( 0.0000000 0.4729730 0.0000000), wk = 0.0033557 k( 37) = ( 0.0000000 0.4864865 -0.0000000), wk = 0.0033557 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557 k( 40) = ( 0.0135135 0.5000000 0.0000000), wk = 0.0033557 k( 41) = ( 0.0270270 0.5000000 0.0000000), wk = 0.0033557 k( 42) = ( 0.0405405 0.5000000 0.0000000), wk = 0.0033557 k( 43) = ( 0.0540540 0.5000000 -0.0000000), wk = 0.0033557 k( 44) = ( 0.0675676 0.5000000 0.0000000), wk = 0.0033557 k( 45) = ( 0.0810811 0.5000000 0.0000000), wk = 0.0033557 k( 46) = ( 0.0945946 0.5000000 0.0000000), wk = 0.0033557 k( 47) = ( 0.1081081 0.5000000 0.0000000), wk = 0.0033557 k( 48) = ( 0.1216216 0.5000000 0.0000000), wk = 0.0033557 k( 49) = ( 0.1351351 0.5000000 -0.0000000), wk = 0.0033557 k( 50) = ( 0.1486486 0.5000000 0.0000000), wk = 0.0033557 k( 51) = ( 0.1621622 0.5000000 0.0000000), wk = 0.0033557 k( 52) = ( 0.1756757 0.5000000 -0.0000000), wk = 0.0033557 k( 53) = ( 0.1891892 0.5000000 0.0000000), wk = 0.0033557 k( 54) = ( 0.2027027 0.5000000 0.0000000), wk = 0.0033557 k( 55) = ( 0.2162162 0.5000000 0.0000000), wk = 0.0033557 k( 56) = ( 0.2297297 0.5000000 -0.0000000), wk = 0.0033557 k( 57) = ( 0.2432432 0.5000000 0.0000000), wk = 0.0033557 k( 58) = ( 0.2567568 0.5000000 0.0000000), wk = 0.0033557 k( 59) = ( 0.2702703 0.5000000 0.0000000), wk = 0.0033557 k( 60) = ( 0.2837838 0.5000000 -0.0000000), wk = 0.0033557 k( 61) = ( 0.2972973 0.5000000 -0.0000000), wk = 0.0033557 k( 62) = ( 0.3108108 0.5000000 0.0000000), wk = 0.0033557 k( 63) = ( 0.3243243 0.5000000 0.0000000), wk = 0.0033557 k( 64) = ( 0.3378378 0.5000000 -0.0000000), wk = 0.0033557 k( 65) = ( 0.3513514 0.5000000 0.0000000), wk = 0.0033557 k( 66) = ( 0.3648649 0.5000000 0.0000000), wk = 0.0033557 k( 67) = ( 0.3783784 0.5000000 -0.0000000), wk = 0.0033557 k( 68) = ( 0.3918919 0.5000000 -0.0000000), wk = 0.0033557 k( 69) = ( 0.4054054 0.5000000 0.0000000), wk = 0.0033557 k( 70) = ( 0.4189189 0.5000000 -0.0000000), wk = 0.0033557 k( 71) = ( 0.4324324 0.5000000 -0.0000000), wk = 0.0033557 k( 72) = ( 0.4459459 0.5000000 -0.0000000), wk = 0.0033557 k( 73) = ( 0.4594595 0.5000000 0.0000000), wk = 0.0033557 k( 74) = ( 0.4729730 0.5000000 -0.0000000), wk = 0.0033557 k( 75) = ( 0.4864865 0.5000000 0.0000000), wk = 0.0033557 k( 76) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557 k( 78) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0033557 k( 79) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0033557 k( 80) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0033557 k( 81) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0033557 k( 82) = ( 0.4509804 0.4509804 0.0000000), wk = 0.0033557 k( 83) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0033557 k( 84) = ( 0.4313726 0.4313726 -0.0000000), wk = 0.0033557 k( 85) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0033557 k( 86) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0033557 k( 87) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0033557 k( 88) = ( 0.3921569 0.3921569 0.0000000), wk = 0.0033557 k( 89) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0033557 k( 90) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0033557 k( 91) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0033557 k( 92) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0033557 k( 93) = ( 0.3431373 0.3431373 -0.0000000), wk = 0.0033557 k( 94) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033557 k( 95) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0033557 k( 96) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0033557 k( 97) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0033557 k( 98) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0033557 k( 99) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0033557 k( 100) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0033557 k( 101) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0033557 k( 102) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0033557 k( 103) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0033557 k( 104) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0033557 k( 105) = ( 0.2254902 0.2254902 0.0000000), wk = 0.0033557 k( 106) = ( 0.2156863 0.2156863 0.0000000), wk = 0.0033557 k( 107) = ( 0.2058823 0.2058823 0.0000000), wk = 0.0033557 k( 108) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0033557 k( 109) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0033557 k( 110) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0033557 k( 111) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033557 k( 112) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0033557 k( 113) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0033557 k( 114) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0033557 k( 115) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0033557 k( 116) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0033557 k( 117) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0033557 k( 118) = ( 0.0980392 0.0980392 0.0000000), wk = 0.0033557 k( 119) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0033557 k( 120) = ( 0.0784314 0.0784314 0.0000000), wk = 0.0033557 k( 121) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0033557 k( 122) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0033557 k( 123) = ( 0.0490196 0.0490196 0.0000000), wk = 0.0033557 k( 124) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0033557 k( 125) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0033557 k( 126) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0033557 k( 127) = ( 0.0098039 0.0098039 0.0000000), wk = 0.0033557 k( 128) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033557 k( 130) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0033557 k( 131) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0033557 k( 132) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0033557 k( 133) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0033557 k( 134) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0033557 k( 135) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0033557 k( 136) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0033557 k( 137) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0033557 k( 138) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0033557 k( 139) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0033557 k( 140) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0033557 k( 141) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0033557 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 144) = ( 0.0000000 0.0135135 0.5000000), wk = 0.0033557 k( 145) = ( 0.0000000 0.0270270 0.5000000), wk = 0.0033557 k( 146) = ( 0.0000000 0.0405405 0.5000000), wk = 0.0033557 k( 147) = ( 0.0000000 0.0540540 0.5000000), wk = 0.0033557 k( 148) = ( 0.0000000 0.0675676 0.5000000), wk = 0.0033557 k( 149) = ( 0.0000000 0.0810811 0.5000000), wk = 0.0033557 k( 150) = ( 0.0000000 0.0945946 0.5000000), wk = 0.0033557 k( 151) = ( 0.0000000 0.1081081 0.5000000), wk = 0.0033557 k( 152) = ( 0.0000000 0.1216216 0.5000000), wk = 0.0033557 k( 153) = ( 0.0000000 0.1351351 0.5000000), wk = 0.0033557 k( 154) = ( 0.0000000 0.1486486 0.5000000), wk = 0.0033557 k( 155) = ( 0.0000000 0.1621622 0.5000000), wk = 0.0033557 k( 156) = ( 0.0000000 0.1756757 0.5000000), wk = 0.0033557 k( 157) = ( 0.0000000 0.1891892 0.5000000), wk = 0.0033557 k( 158) = ( 0.0000000 0.2027027 0.5000000), wk = 0.0033557 k( 159) = ( 0.0000000 0.2162162 0.5000000), wk = 0.0033557 k( 160) = ( 0.0000000 0.2297297 0.5000000), wk = 0.0033557 k( 161) = ( 0.0000000 0.2432432 0.5000000), wk = 0.0033557 k( 162) = ( 0.0000000 0.2567568 0.5000000), wk = 0.0033557 k( 163) = ( 0.0000000 0.2702703 0.5000000), wk = 0.0033557 k( 164) = ( 0.0000000 0.2837838 0.5000000), wk = 0.0033557 k( 165) = ( 0.0000000 0.2972973 0.5000000), wk = 0.0033557 k( 166) = ( 0.0000000 0.3108108 0.5000000), wk = 0.0033557 k( 167) = ( 0.0000000 0.3243243 0.5000000), wk = 0.0033557 k( 168) = ( 0.0000000 0.3378378 0.5000000), wk = 0.0033557 k( 169) = ( 0.0000000 0.3513514 0.5000000), wk = 0.0033557 k( 170) = ( 0.0000000 0.3648649 0.5000000), wk = 0.0033557 k( 171) = ( 0.0000000 0.3783784 0.5000000), wk = 0.0033557 k( 172) = ( 0.0000000 0.3918919 0.5000000), wk = 0.0033557 k( 173) = ( 0.0000000 0.4054054 0.5000000), wk = 0.0033557 k( 174) = ( 0.0000000 0.4189189 0.5000000), wk = 0.0033557 k( 175) = ( 0.0000000 0.4324324 0.5000000), wk = 0.0033557 k( 176) = ( 0.0000000 0.4459459 0.5000000), wk = 0.0033557 k( 177) = ( 0.0000000 0.4594595 0.5000000), wk = 0.0033557 k( 178) = ( 0.0000000 0.4729730 0.5000000), wk = 0.0033557 k( 179) = ( 0.0000000 0.4864865 0.5000000), wk = 0.0033557 k( 180) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033557 k( 181) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033557 k( 182) = ( 0.0135135 0.5000000 0.5000000), wk = 0.0033557 k( 183) = ( 0.0270270 0.5000000 0.5000000), wk = 0.0033557 k( 184) = ( 0.0405405 0.5000000 0.5000000), wk = 0.0033557 k( 185) = ( 0.0540540 0.5000000 0.5000000), wk = 0.0033557 k( 186) = ( 0.0675676 0.5000000 0.5000000), wk = 0.0033557 k( 187) = ( 0.0810811 0.5000000 0.5000000), wk = 0.0033557 k( 188) = ( 0.0945946 0.5000000 0.5000000), wk = 0.0033557 k( 189) = ( 0.1081081 0.5000000 0.5000000), wk = 0.0033557 k( 190) = ( 0.1216216 0.5000000 0.5000000), wk = 0.0033557 k( 191) = ( 0.1351351 0.5000000 0.5000000), wk = 0.0033557 k( 192) = ( 0.1486486 0.5000000 0.5000000), wk = 0.0033557 k( 193) = ( 0.1621622 0.5000000 0.5000000), wk = 0.0033557 k( 194) = ( 0.1756757 0.5000000 0.5000000), wk = 0.0033557 k( 195) = ( 0.1891892 0.5000000 0.5000000), wk = 0.0033557 k( 196) = ( 0.2027027 0.5000000 0.5000000), wk = 0.0033557 k( 197) = ( 0.2162162 0.5000000 0.5000000), wk = 0.0033557 k( 198) = ( 0.2297297 0.5000000 0.5000000), wk = 0.0033557 k( 199) = ( 0.2432432 0.5000000 0.5000000), wk = 0.0033557 k( 200) = ( 0.2567568 0.5000000 0.5000000), wk = 0.0033557 k( 201) = ( 0.2702703 0.5000000 0.5000000), wk = 0.0033557 k( 202) = ( 0.2837838 0.5000000 0.5000000), wk = 0.0033557 k( 203) = ( 0.2972973 0.5000000 0.5000000), wk = 0.0033557 k( 204) = ( 0.3108108 0.5000000 0.5000000), wk = 0.0033557 k( 205) = ( 0.3243243 0.5000000 0.5000000), wk = 0.0033557 k( 206) = ( 0.3378378 0.5000000 0.5000000), wk = 0.0033557 k( 207) = ( 0.3513514 0.5000000 0.5000000), wk = 0.0033557 k( 208) = ( 0.3648649 0.5000000 0.5000000), wk = 0.0033557 k( 209) = ( 0.3783784 0.5000000 0.5000000), wk = 0.0033557 k( 210) = ( 0.3918919 0.5000000 0.5000000), wk = 0.0033557 k( 211) = ( 0.4054054 0.5000000 0.5000000), wk = 0.0033557 k( 212) = ( 0.4189189 0.5000000 0.5000000), wk = 0.0033557 k( 213) = ( 0.4324324 0.5000000 0.5000000), wk = 0.0033557 k( 214) = ( 0.4459459 0.5000000 0.5000000), wk = 0.0033557 k( 215) = ( 0.4594595 0.5000000 0.5000000), wk = 0.0033557 k( 216) = ( 0.4729730 0.5000000 0.5000000), wk = 0.0033557 k( 217) = ( 0.4864865 0.5000000 0.5000000), wk = 0.0033557 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 k( 220) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0033557 k( 221) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0033557 k( 222) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0033557 k( 223) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0033557 k( 224) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0033557 k( 225) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0033557 k( 226) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0033557 k( 227) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0033557 k( 228) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0033557 k( 229) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0033557 k( 230) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0033557 k( 231) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0033557 k( 232) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0033557 k( 233) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0033557 k( 234) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0033557 k( 235) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0033557 k( 236) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033557 k( 237) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0033557 k( 238) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0033557 k( 239) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0033557 k( 240) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0033557 k( 241) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0033557 k( 242) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0033557 k( 243) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0033557 k( 244) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0033557 k( 245) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0033557 k( 246) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0033557 k( 247) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0033557 k( 248) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0033557 k( 249) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0033557 k( 250) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0033557 k( 251) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0033557 k( 252) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0033557 k( 253) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033557 k( 254) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0033557 k( 255) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0033557 k( 256) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0033557 k( 257) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0033557 k( 258) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0033557 k( 259) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0033557 k( 260) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0033557 k( 261) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0033557 k( 262) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0033557 k( 263) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0033557 k( 264) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0033557 k( 265) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0033557 k( 266) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0033557 k( 267) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0033557 k( 268) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0033557 k( 269) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0033557 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033557 k( 271) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033557 k( 272) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0033557 k( 273) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0033557 k( 274) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0033557 k( 275) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0033557 k( 276) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0033557 k( 277) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0033557 k( 278) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0033557 k( 279) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0033557 k( 280) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0033557 k( 281) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0033557 k( 282) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0033557 k( 283) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0033557 k( 284) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033557 k( 285) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033557 k( 286) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0033557 k( 287) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0033557 k( 288) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0033557 k( 289) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0033557 k( 290) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0033557 k( 291) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0033557 k( 292) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0033557 k( 293) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0033557 k( 294) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0033557 k( 295) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0033557 k( 296) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0033557 k( 297) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0033557 k( 298) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033557 Dense grid: 226415 G-vectors FFT dimensions: ( 54, 54, 160) Smooth grid: 60173 G-vectors FFT dimensions: ( 36, 36, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 218, 62) NL pseudopotentials 0.34 Mb ( 109, 204) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.02 Mb ( 3145) G-vector shells 0.01 Mb ( 1588) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.82 Mb ( 218, 248) Each subspace H/S matrix 0.03 Mb ( 41, 41) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./HgI2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.5 secs Computing kpt #: 2 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 8.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 12.4 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 15.8 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 19.1 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 22.5 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 26.0 secs Computing kpt #: 8 total cpu time spent up to now is 28.7 secs Computing kpt #: 9 total cpu time spent up to now is 31.1 secs Computing kpt #: 10 total cpu time spent up to now is 33.1 secs Computing kpt #: 11 total cpu time spent up to now is 34.9 secs Computing kpt #: 12 total cpu time spent up to now is 36.5 secs Computing kpt #: 13 total cpu time spent up to now is 38.0 secs Computing kpt #: 14 total cpu time spent up to now is 39.5 secs Computing kpt #: 15 total cpu time spent up to now is 40.8 secs Computing kpt #: 16 total cpu time spent up to now is 42.2 secs Computing kpt #: 17 total cpu time spent up to now is 43.5 secs Computing kpt #: 18 total cpu time spent up to now is 44.8 secs Computing kpt #: 19 total cpu time spent up to now is 46.2 secs Computing kpt #: 20 total cpu time spent up to now is 47.6 secs Computing kpt #: 21 total cpu time spent up to now is 49.0 secs Computing kpt #: 22 total cpu time spent up to now is 50.4 secs Computing kpt #: 23 total cpu time spent up to now is 51.9 secs Computing kpt #: 24 total cpu time spent up to now is 53.4 secs Computing kpt #: 25 total cpu time spent up to now is 54.9 secs Computing kpt #: 26 total cpu time spent up to now is 56.4 secs Computing kpt #: 27 total cpu time spent up to now is 58.0 secs Computing kpt #: 28 total cpu time spent up to now is 59.6 secs Computing kpt #: 29 total cpu time spent up to now is 61.2 secs Computing kpt #: 30 total cpu time spent up to now is 62.8 secs Computing kpt #: 31 total cpu time spent up to now is 64.3 secs Computing kpt #: 32 total cpu time spent up to now is 65.9 secs Computing kpt #: 33 total cpu time spent up to now is 67.5 secs Computing kpt #: 34 total cpu time spent up to now is 69.1 secs Computing kpt #: 35 total cpu time spent up to now is 70.8 secs Computing kpt #: 36 total cpu time spent up to now is 72.5 secs Computing kpt #: 37 total cpu time spent up to now is 74.2 secs Computing kpt #: 38 total cpu time spent up to now is 75.7 secs Computing kpt #: 39 total cpu time spent up to now is 77.4 secs Computing kpt #: 40 total cpu time spent up to now is 79.4 secs Computing kpt #: 41 total cpu time spent up to now is 81.2 secs Computing kpt #: 42 total cpu time spent up to now is 82.9 secs Computing kpt #: 43 total cpu time spent up to now is 84.8 secs Computing kpt #: 44 total cpu time spent up to now is 86.4 secs Computing kpt #: 45 total cpu time spent up to now is 88.0 secs Computing kpt #: 46 total cpu time spent up to now is 89.7 secs Computing kpt #: 47 total cpu time spent up to now is 91.5 secs Computing kpt #: 48 total cpu time spent up to now is 93.3 secs Computing kpt #: 49 total cpu time spent up to now is 95.0 secs Computing kpt #: 50 total cpu time spent up to now is 96.6 secs Computing kpt #: 51 total cpu time spent up to now is 98.2 secs Computing kpt #: 52 total cpu time spent up to now is 99.8 secs Computing kpt #: 53 total cpu time spent up to now is 101.6 secs Computing kpt #: 54 total cpu time spent up to now is 103.2 secs Computing kpt #: 55 total cpu time spent up to now is 104.8 secs Computing kpt #: 56 total cpu time spent up to now is 106.4 secs Computing kpt #: 57 total cpu time spent up to now is 108.1 secs Computing kpt #: 58 total cpu time spent up to now is 109.7 secs Computing kpt #: 59 total cpu time spent up to now is 111.3 secs Computing kpt #: 60 total cpu time spent up to now is 112.9 secs Computing kpt #: 61 total cpu time spent up to now is 114.5 secs Computing kpt #: 62 total cpu time spent up to now is 116.2 secs Computing kpt #: 63 total cpu time spent up to now is 117.9 secs Computing kpt #: 64 total cpu time spent up to now is 119.8 secs Computing kpt #: 65 total cpu time spent up to now is 121.5 secs Computing kpt #: 66 total cpu time spent up to now is 123.3 secs Computing kpt #: 67 total cpu time spent up to now is 125.2 secs Computing kpt #: 68 total cpu time spent up to now is 127.0 secs Computing kpt #: 69 total cpu time spent up to now is 128.9 secs Computing kpt #: 70 total cpu time spent up to now is 130.8 secs Computing kpt #: 71 total cpu time spent up to now is 132.6 secs Computing kpt #: 72 total cpu time spent up to now is 134.4 secs Computing kpt #: 73 total cpu time spent up to now is 136.2 secs Computing kpt #: 74 total cpu time spent up to now is 138.1 secs Computing kpt #: 75 total cpu time spent up to now is 140.0 secs Computing kpt #: 76 total cpu time spent up to now is 141.3 secs Computing kpt #: 77 total cpu time spent up to now is 142.7 secs Computing kpt #: 78 total cpu time spent up to now is 144.6 secs Computing kpt #: 79 total cpu time spent up to now is 146.4 secs Computing kpt #: 80 total cpu time spent up to now is 148.2 secs Computing kpt #: 81 total cpu time spent up to now is 150.0 secs Computing kpt #: 82 total cpu time spent up to now is 151.8 secs Computing kpt #: 83 total cpu time spent up to now is 153.4 secs Computing kpt #: 84 total cpu time spent up to now is 154.9 secs Computing kpt #: 85 total cpu time spent up to now is 156.5 secs Computing kpt #: 86 total cpu time spent up to now is 157.9 secs Computing kpt #: 87 total cpu time spent up to now is 159.6 secs Computing kpt #: 88 total cpu time spent up to now is 161.0 secs Computing kpt #: 89 total cpu time spent up to now is 162.5 secs Computing kpt #: 90 total cpu time spent up to now is 164.1 secs Computing kpt #: 91 total cpu time spent up to now is 165.5 secs Computing kpt #: 92 total cpu time spent up to now is 166.9 secs Computing kpt #: 93 total cpu time spent up to now is 168.3 secs Computing kpt #: 94 total cpu time spent up to now is 169.8 secs Computing kpt #: 95 total cpu time spent up to now is 171.2 secs Computing kpt #: 96 total cpu time spent up to now is 172.6 secs Computing kpt #: 97 total cpu time spent up to now is 174.1 secs Computing kpt #: 98 total cpu time spent up to now is 175.6 secs Computing kpt #: 99 total cpu time spent up to now is 177.1 secs Computing kpt #: 100 total cpu time spent up to now is 178.6 secs Computing kpt #: 101 total cpu time spent up to now is 180.3 secs Computing kpt #: 102 total cpu time spent up to now is 182.1 secs Computing kpt #: 103 total cpu time spent up to now is 183.9 secs Computing kpt #: 104 total cpu time spent up to now is 185.7 secs Computing kpt #: 105 total cpu time spent up to now is 187.6 secs Computing kpt #: 106 total cpu time spent up to now is 189.5 secs Computing kpt #: 107 total cpu time spent up to now is 191.4 secs Computing kpt #: 108 total cpu time spent up to now is 193.2 secs Computing kpt #: 109 total cpu time spent up to now is 195.0 secs Computing kpt #: 110 total cpu time spent up to now is 196.8 secs Computing kpt #: 111 total cpu time spent up to now is 198.6 secs Computing kpt #: 112 total cpu time spent up to now is 200.5 secs Computing kpt #: 113 total cpu time spent up to now is 202.3 secs Computing kpt #: 114 total cpu time spent up to now is 204.3 secs Computing kpt #: 115 total cpu time spent up to now is 206.4 secs Computing kpt #: 116 total cpu time spent up to now is 208.9 secs Computing kpt #: 117 total cpu time spent up to now is 211.7 secs Computing kpt #: 118 total cpu time spent up to now is 214.7 secs Computing kpt #: 119 total cpu time spent up to now is 217.8 secs Computing kpt #: 120 total cpu time spent up to now is 221.3 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 224.8 secs Computing kpt #: 122 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.7 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.1 secs Computing kpt #: 127 total cpu time spent up to now is 245.6 secs Computing kpt #: 128 total cpu time spent up to now is 248.5 secs Computing kpt #: 129 total cpu time spent up to now is 251.4 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 131 total cpu time spent up to now is 258.2 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 261.5 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.8 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.4 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.9 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.3 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.8 secs Computing kpt #: 138 total cpu time spent up to now is 281.8 secs Computing kpt #: 139 total cpu time spent up to now is 285.0 secs Computing kpt #: 140 total cpu time spent up to now is 287.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.5 secs Computing kpt #: 142 total cpu time spent up to now is 293.1 secs Computing kpt #: 143 total cpu time spent up to now is 294.6 secs Computing kpt #: 144 total cpu time spent up to now is 296.2 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 299.6 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 303.2 secs Computing kpt #: 147 total cpu time spent up to now is 305.8 secs Computing kpt #: 148 total cpu time spent up to now is 307.9 secs Computing kpt #: 149 total cpu time spent up to now is 309.7 secs Computing kpt #: 150 total cpu time spent up to now is 311.6 secs Computing kpt #: 151 total cpu time spent up to now is 313.6 secs Computing kpt #: 152 total cpu time spent up to now is 315.2 secs Computing kpt #: 153 total cpu time spent up to now is 316.7 secs Computing kpt #: 154 total cpu time spent up to now is 318.1 secs Computing kpt #: 155 total cpu time spent up to now is 319.6 secs Computing kpt #: 156 total cpu time spent up to now is 320.9 secs Computing kpt #: 157 total cpu time spent up to now is 322.3 secs Computing kpt #: 158 total cpu time spent up to now is 323.7 secs Computing kpt #: 159 total cpu time spent up to now is 325.0 secs Computing kpt #: 160 total cpu time spent up to now is 326.4 secs Computing kpt #: 161 total cpu time spent up to now is 327.7 secs Computing kpt #: 162 total cpu time spent up to now is 329.0 secs Computing kpt #: 163 total cpu time spent up to now is 330.4 secs Computing kpt #: 164 total cpu time spent up to now is 331.9 secs Computing kpt #: 165 total cpu time spent up to now is 333.3 secs Computing kpt #: 166 total cpu time spent up to now is 334.7 secs Computing kpt #: 167 total cpu time spent up to now is 336.3 secs Computing kpt #: 168 total cpu time spent up to now is 337.9 secs Computing kpt #: 169 total cpu time spent up to now is 339.6 secs Computing kpt #: 170 total cpu time spent up to now is 341.2 secs Computing kpt #: 171 total cpu time spent up to now is 342.9 secs Computing kpt #: 172 total cpu time spent up to now is 344.6 secs Computing kpt #: 173 total cpu time spent up to now is 346.1 secs Computing kpt #: 174 total cpu time spent up to now is 347.8 secs Computing kpt #: 175 total cpu time spent up to now is 349.7 secs Computing kpt #: 176 total cpu time spent up to now is 351.5 secs Computing kpt #: 177 total cpu time spent up to now is 354.0 secs Computing kpt #: 178 total cpu time spent up to now is 355.8 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 359.3 secs Computing kpt #: 180 total cpu time spent up to now is 360.8 secs Computing kpt #: 181 total cpu time spent up to now is 362.4 secs Computing kpt #: 182 total cpu time spent up to now is 364.8 secs Computing kpt #: 183 total cpu time spent up to now is 366.5 secs Computing kpt #: 184 total cpu time spent up to now is 368.1 secs Computing kpt #: 185 total cpu time spent up to now is 369.6 secs Computing kpt #: 186 total cpu time spent up to now is 371.1 secs Computing kpt #: 187 total cpu time spent up to now is 372.6 secs Computing kpt #: 188 total cpu time spent up to now is 374.1 secs Computing kpt #: 189 total cpu time spent up to now is 375.6 secs Computing kpt #: 190 total cpu time spent up to now is 377.1 secs Computing kpt #: 191 total cpu time spent up to now is 378.9 secs Computing kpt #: 192 total cpu time spent up to now is 380.6 secs Computing kpt #: 193 total cpu time spent up to now is 382.2 secs Computing kpt #: 194 total cpu time spent up to now is 383.8 secs Computing kpt #: 195 total cpu time spent up to now is 385.4 secs Computing kpt #: 196 total cpu time spent up to now is 387.0 secs Computing kpt #: 197 total cpu time spent up to now is 388.6 secs Computing kpt #: 198 total cpu time spent up to now is 390.3 secs Computing kpt #: 199 total cpu time spent up to now is 391.9 secs Computing kpt #: 200 total cpu time spent up to now is 393.4 secs Computing kpt #: 201 total cpu time spent up to now is 395.2 secs Computing kpt #: 202 total cpu time spent up to now is 398.1 secs Computing kpt #: 203 total cpu time spent up to now is 400.8 secs Computing kpt #: 204 total cpu time spent up to now is 403.3 secs Computing kpt #: 205 total cpu time spent up to now is 405.0 secs Computing kpt #: 206 total cpu time spent up to now is 407.0 secs Computing kpt #: 207 total cpu time spent up to now is 408.8 secs Computing kpt #: 208 total cpu time spent up to now is 410.7 secs Computing kpt #: 209 total cpu time spent up to now is 413.2 secs Computing kpt #: 210 total cpu time spent up to now is 415.1 secs Computing kpt #: 211 total cpu time spent up to now is 417.1 secs Computing kpt #: 212 total cpu time spent up to now is 419.5 secs Computing kpt #: 213 total cpu time spent up to now is 422.3 secs Computing kpt #: 214 total cpu time spent up to now is 425.5 secs Computing kpt #: 215 total cpu time spent up to now is 428.7 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 432.1 secs Computing kpt #: 217 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 435.4 secs Computing kpt #: 218 total cpu time spent up to now is 436.8 secs Computing kpt #: 219 total cpu time spent up to now is 438.2 secs Computing kpt #: 220 total cpu time spent up to now is 441.4 secs Computing kpt #: 221 total cpu time spent up to now is 444.1 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.3 secs Computing kpt #: 223 total cpu time spent up to now is 449.9 secs Computing kpt #: 224 total cpu time spent up to now is 452.1 secs Computing kpt #: 225 total cpu time spent up to now is 455.2 secs Computing kpt #: 226 total cpu time spent up to now is 457.9 secs Computing kpt #: 227 total cpu time spent up to now is 459.9 secs Computing kpt #: 228 total cpu time spent up to now is 462.2 secs Computing kpt #: 229 total cpu time spent up to now is 464.5 secs Computing kpt #: 230 total cpu time spent up to now is 466.3 secs Computing kpt #: 231 total cpu time spent up to now is 468.3 secs Computing kpt #: 232 total cpu time spent up to now is 470.2 secs Computing kpt #: 233 total cpu time spent up to now is 472.2 secs Computing kpt #: 234 total cpu time spent up to now is 474.1 secs Computing kpt #: 235 total cpu time spent up to now is 475.6 secs Computing kpt #: 236 total cpu time spent up to now is 477.5 secs Computing kpt #: 237 total cpu time spent up to now is 479.4 secs Computing kpt #: 238 total cpu time spent up to now is 481.3 secs Computing kpt #: 239 total cpu time spent up to now is 482.8 secs Computing kpt #: 240 total cpu time spent up to now is 484.3 secs Computing kpt #: 241 total cpu time spent up to now is 485.9 secs Computing kpt #: 242 total cpu time spent up to now is 487.3 secs Computing kpt #: 243 total cpu time spent up to now is 488.8 secs Computing kpt #: 244 total cpu time spent up to now is 490.2 secs Computing kpt #: 245 total cpu time spent up to now is 491.7 secs Computing kpt #: 246 total cpu time spent up to now is 493.2 secs Computing kpt #: 247 total cpu time spent up to now is 495.1 secs Computing kpt #: 248 total cpu time spent up to now is 496.8 secs Computing kpt #: 249 total cpu time spent up to now is 498.6 secs Computing kpt #: 250 total cpu time spent up to now is 500.2 secs Computing kpt #: 251 total cpu time spent up to now is 501.7 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 505.0 secs Computing kpt #: 253 total cpu time spent up to now is 506.5 secs Computing kpt #: 254 total cpu time spent up to now is 507.9 secs Computing kpt #: 255 total cpu time spent up to now is 509.3 secs Computing kpt #: 256 total cpu time spent up to now is 511.4 secs Computing kpt #: 257 total cpu time spent up to now is 512.9 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.1 secs Computing kpt #: 259 total cpu time spent up to now is 517.6 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 520.9 secs Computing kpt #: 261 total cpu time spent up to now is 524.2 secs Computing kpt #: 262 total cpu time spent up to now is 527.1 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 530.4 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 533.7 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 537.1 secs Computing kpt #: 266 total cpu time spent up to now is 538.9 secs Computing kpt #: 267 total cpu time spent up to now is 540.6 secs Computing kpt #: 268 total cpu time spent up to now is 542.1 secs Computing kpt #: 269 total cpu time spent up to now is 543.6 secs Computing kpt #: 270 total cpu time spent up to now is 545.2 secs Computing kpt #: 271 total cpu time spent up to now is 546.9 secs Computing kpt #: 272 total cpu time spent up to now is 548.5 secs Computing kpt #: 273 total cpu time spent up to now is 550.1 secs Computing kpt #: 274 total cpu time spent up to now is 551.7 secs Computing kpt #: 275 total cpu time spent up to now is 553.2 secs Computing kpt #: 276 total cpu time spent up to now is 554.8 secs Computing kpt #: 277 total cpu time spent up to now is 556.3 secs Computing kpt #: 278 total cpu time spent up to now is 557.9 secs Computing kpt #: 279 total cpu time spent up to now is 559.5 secs Computing kpt #: 280 total cpu time spent up to now is 561.1 secs Computing kpt #: 281 total cpu time spent up to now is 562.7 secs Computing kpt #: 282 total cpu time spent up to now is 564.3 secs Computing kpt #: 283 total cpu time spent up to now is 565.8 secs Computing kpt #: 284 total cpu time spent up to now is 567.3 secs Computing kpt #: 285 total cpu time spent up to now is 568.5 secs Computing kpt #: 286 total cpu time spent up to now is 569.8 secs Computing kpt #: 287 total cpu time spent up to now is 571.1 secs Computing kpt #: 288 total cpu time spent up to now is 572.4 secs Computing kpt #: 289 total cpu time spent up to now is 573.6 secs Computing kpt #: 290 total cpu time spent up to now is 574.9 secs Computing kpt #: 291 total cpu time spent up to now is 576.2 secs Computing kpt #: 292 total cpu time spent up to now is 577.5 secs Computing kpt #: 293 total cpu time spent up to now is 578.9 secs Computing kpt #: 294 total cpu time spent up to now is 580.2 secs Computing kpt #: 295 total cpu time spent up to now is 581.7 secs Computing kpt #: 296 total cpu time spent up to now is 583.1 secs Computing kpt #: 297 total cpu time spent up to now is 584.5 secs Computing kpt #: 298 total cpu time spent up to now is 585.9 secs ethr = 1.92E-08, avg # of iterations = 51.1 total cpu time spent up to now is 585.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -8.6069 -8.6069 -8.3164 -8.3164 -8.2699 -8.2699 -7.9482 -7.9482 -3.4976 -3.4976 -3.4871 -3.4871 -3.3500 -3.3500 -3.2985 -3.2985 -2.0158 -2.0158 -1.9197 -1.9197 -1.8420 -1.8420 -1.7709 -1.7709 -1.5228 -1.5228 -1.4580 -1.4580 -0.3059 -0.3059 0.1726 0.1726 1.9279 1.9279 2.1780 2.1780 2.4211 2.4211 2.4372 2.4372 2.8441 2.8441 3.0765 3.0765 3.0951 3.0951 3.4554 3.4554 3.9576 3.9576 4.1885 4.1885 5.0840 5.0840 6.4346 6.4346 7.7916 7.7916 8.0440 8.0440 9.7971 9.7971 k = 0.0000 0.0135-0.0000 ( 7521 PWs) bands (ev): -8.6064 -8.6064 -8.3161 -8.3161 -8.2696 -8.2696 -7.9483 -7.9483 -3.4981 -3.4981 -3.4863 -3.4863 -3.3501 -3.3501 -3.2982 -3.2982 -2.0157 -2.0157 -1.9194 -1.9194 -1.8419 -1.8419 -1.7705 -1.7705 -1.5229 -1.5229 -1.4580 -1.4580 -0.3059 -0.3059 0.1708 0.1708 1.9267 1.9267 2.1745 2.1745 2.4188 2.4188 2.4390 2.4390 2.8411 2.8411 3.0741 3.0741 3.0978 3.0978 3.4548 3.4548 3.9546 3.9546 4.1825 4.1825 5.0934 5.0934 6.4343 6.4343 7.7950 7.7950 8.0487 8.0487 9.7995 9.7995 k = 0.0000 0.0270-0.0000 ( 7537 PWs) bands (ev): -8.6049 -8.6049 -8.3153 -8.3153 -8.2688 -8.2688 -7.9484 -7.9484 -3.4993 -3.4993 -3.4841 -3.4841 -3.3505 -3.3505 -3.2973 -3.2973 -2.0154 -2.0154 -1.9188 -1.9188 -1.8415 -1.8415 -1.7693 -1.7693 -1.5230 -1.5230 -1.4581 -1.4581 -0.3059 -0.3059 0.1655 0.1655 1.9231 1.9231 2.1643 2.1643 2.4127 2.4127 2.4436 2.4436 2.8325 2.8325 3.0687 3.0687 3.1039 3.1039 3.4533 3.4533 3.9452 3.9452 4.1660 4.1660 5.1202 5.1202 6.4336 6.4336 7.8050 7.8050 8.0628 8.0628 9.8060 9.8061 k = 0.0000 0.0405-0.0000 ( 7537 PWs) bands (ev): -8.6024 -8.6024 -8.3139 -8.3139 -8.2675 -8.2675 -7.9485 -7.9485 -3.5007 -3.5007 -3.4811 -3.4811 -3.3511 -3.3511 -3.2958 -3.2958 -2.0148 -2.0148 -1.9177 -1.9177 -1.8409 -1.8409 -1.7673 -1.7673 -1.5233 -1.5233 -1.4582 -1.4582 -0.3058 -0.3058 0.1566 0.1566 1.9169 1.9169 2.1477 2.1477 2.4035 2.4035 2.4502 2.4502 2.8193 2.8193 3.0617 3.0617 3.1113 3.1113 3.4509 3.4509 3.9281 3.9281 4.1431 4.1431 5.1617 5.1617 6.4323 6.4323 7.8215 7.8215 8.0862 8.0862 9.8144 9.8147 k = 0.0000 0.0541-0.0000 ( 7533 PWs) bands (ev): -8.5988 -8.5988 -8.3119 -8.3119 -8.2656 -8.2656 -7.9488 -7.9488 -3.5020 -3.5020 -3.4775 -3.4775 -3.3520 -3.3520 -3.2939 -3.2939 -2.0140 -2.0140 -1.9161 -1.9161 -1.8401 -1.8401 -1.7644 -1.7644 -1.5236 -1.5236 -1.4585 -1.4585 -0.3059 -0.3059 0.1443 0.1443 1.9074 1.9074 2.1254 2.1254 2.3919 2.3919 2.4582 2.4582 2.8028 2.8028 3.0532 3.0532 3.1190 3.1190 3.4476 3.4476 3.9020 3.9020 4.1186 4.1186 5.2140 5.2140 6.4302 6.4302 7.8444 7.8444 8.1184 8.1184 9.8186 9.8186 k = 0.0000 0.0676-0.0000 ( 7523 PWs) bands (ev): -8.5943 -8.5943 -8.3094 -8.3094 -8.2632 -8.2632 -7.9491 -7.9491 -3.5032 -3.5032 -3.4734 -3.4734 -3.3529 -3.3529 -3.2914 -3.2914 -2.0131 -2.0131 -1.9141 -1.9141 -1.8392 -1.8392 -1.7607 -1.7607 -1.5240 -1.5240 -1.4587 -1.4587 -0.3060 -0.3060 0.1285 0.1285 1.8943 1.8943 2.0978 2.0978 2.3789 2.3789 2.4671 2.4671 2.7842 2.7842 3.0430 3.0430 3.1266 3.1266 3.4438 3.4438 3.8664 3.8664 4.0961 4.0961 5.2736 5.2736 6.4272 6.4272 7.8734 7.8734 8.1591 8.1591 9.8132 9.8133 k = 0.0000 0.0811-0.0000 ( 7531 PWs) bands (ev): -8.5888 -8.5888 -8.3063 -8.3063 -8.2604 -8.2604 -7.9495 -7.9495 -3.5042 -3.5042 -3.4689 -3.4689 -3.3540 -3.3540 -3.2885 -3.2885 -2.0120 -2.0120 -1.9115 -1.9115 -1.8381 -1.8381 -1.7561 -1.7561 -1.5244 -1.5244 -1.4590 -1.4590 -0.3063 -0.3063 0.1092 0.1092 1.8767 1.8767 2.0655 2.0655 2.3654 2.3654 2.4762 2.4762 2.7648 2.7648 3.0309 3.0309 3.1334 3.1334 3.4395 3.4395 3.8226 3.8226 4.0770 4.0770 5.3378 5.3378 6.4231 6.4231 7.9081 7.9081 8.2078 8.2078 9.7991 9.7992 k = 0.0000 0.0946-0.0000 ( 7531 PWs) bands (ev): -8.5824 -8.5824 -8.3028 -8.3028 -8.2571 -8.2571 -7.9500 -7.9500 -3.5050 -3.5050 -3.4640 -3.4640 -3.3552 -3.3552 -3.2851 -3.2851 -2.0107 -2.0107 -1.9086 -1.9086 -1.8370 -1.8370 -1.7507 -1.7507 -1.5248 -1.5248 -1.4594 -1.4594 -0.3070 -0.3070 0.0866 0.0866 1.8541 1.8541 2.0291 2.0291 2.3525 2.3525 2.4852 2.4852 2.7456 2.7456 3.0170 3.0170 3.1392 3.1392 3.4350 3.4350 3.7729 3.7729 4.0606 4.0606 5.4040 5.4040 6.4177 6.4177 7.9478 7.9478 8.2640 8.2640 9.7776 9.7776 k = 0.0000 0.1081-0.0000 ( 7531 PWs) bands (ev): -8.5750 -8.5750 -8.2987 -8.2987 -8.2533 -8.2533 -7.9506 -7.9506 -3.5056 -3.5056 -3.4587 -3.4587 -3.3565 -3.3565 -3.2813 -3.2813 -2.0094 -2.0094 -1.9051 -1.9051 -1.8358 -1.8358 -1.7443 -1.7443 -1.5252 -1.5252 -1.4598 -1.4598 -0.3080 -0.3080 0.0608 0.0608 1.8257 1.8257 1.9893 1.9893 2.3412 2.3412 2.4936 2.4936 2.7275 2.7275 3.0011 3.0011 3.1436 3.1436 3.4306 3.4306 3.7199 3.7199 4.0460 4.0460 5.4706 5.4706 6.4108 6.4108 7.9918 7.9918 8.3269 8.3269 9.7490 9.7490 k = 0.0000 0.1216-0.0000 ( 7523 PWs) bands (ev): -8.5667 -8.5667 -8.2942 -8.2942 -8.2491 -8.2491 -7.9514 -7.9514 -3.5060 -3.5060 -3.4531 -3.4531 -3.3577 -3.3577 -3.2772 -3.2772 -2.0080 -2.0080 -1.9012 -1.9012 -1.8346 -1.8346 -1.7370 -1.7370 -1.5255 -1.5255 -1.4602 -1.4602 -0.3097 -0.3097 0.0319 0.0319 1.7911 1.7911 1.9473 1.9473 2.3319 2.3319 2.5009 2.5009 2.7112 2.7112 2.9835 2.9835 3.1463 3.1463 3.4266 3.4266 3.6658 3.6658 4.0320 4.0320 5.5362 5.5362 6.4024 6.4024 8.0394 8.0394 8.3957 8.3957 9.7138 9.7138 k = 0.0000 0.1351-0.0000 ( 7523 PWs) bands (ev): -8.5575 -8.5575 -8.2892 -8.2892 -8.2446 -8.2446 -7.9523 -7.9523 -3.5062 -3.5062 -3.4473 -3.4473 -3.3588 -3.3588 -3.2727 -3.2727 -2.0065 -2.0065 -1.8969 -1.8969 -1.8333 -1.8333 -1.7289 -1.7289 -1.5257 -1.5257 -1.4606 -1.4606 -0.3123 -0.3123 0.0002 0.0002 1.7500 1.7500 1.9044 1.9044 2.3246 2.3246 2.5064 2.5064 2.6975 2.6975 2.9645 2.9645 3.1469 3.1469 3.4231 3.4231 3.6121 3.6121 4.0179 4.0179 5.5998 5.5998 6.3924 6.3924 8.0896 8.0896 8.4696 8.4696 9.6730 9.6730 k = 0.0000 0.1486-0.0000 ( 7519 PWs) bands (ev): -8.5475 -8.5475 -8.2838 -8.2838 -8.2397 -8.2397 -7.9534 -7.9534 -3.5061 -3.5061 -3.4411 -3.4411 -3.3598 -3.3598 -3.2679 -3.2679 -2.0050 -2.0050 -1.8922 -1.8922 -1.8321 -1.8321 -1.7199 -1.7199 -1.5257 -1.5257 -1.4611 -1.4611 -0.3161 -0.3161 -0.0341 -0.0341 1.7026 1.7026 1.8615 1.8615 2.3188 2.3188 2.5097 2.5097 2.6872 2.6872 2.9445 2.9445 3.1449 3.1449 3.4205 3.4205 3.5605 3.5605 4.0034 4.0034 5.6603 5.6603 6.3807 6.3807 8.1414 8.1414 8.5473 8.5473 9.6284 9.6284 k = 0.0000 0.1622-0.0000 ( 7529 PWs) bands (ev): -8.5368 -8.5368 -8.2779 -8.2779 -8.2345 -8.2345 -7.9547 -7.9547 -3.5059 -3.5059 -3.4349 -3.4349 -3.3605 -3.3605 -3.2629 -3.2629 -2.0034 -2.0034 -1.8873 -1.8873 -1.8307 -1.8307 -1.7100 -1.7100 -1.5255 -1.5255 -1.4615 -1.4615 -0.3215 -0.3215 -0.0705 -0.0705 1.6498 1.6498 1.8196 1.8196 2.3135 2.3135 2.5106 2.5106 2.6808 2.6808 2.9242 2.9242 3.1396 3.1396 3.4186 3.4186 3.5122 3.5122 3.9880 3.9880 5.7174 5.7174 6.3674 6.3674 8.1941 8.1941 8.6276 8.6276 9.5820 9.5820 k = 0.0000 0.1757-0.0000 ( 7523 PWs) bands (ev): -8.5252 -8.5252 -8.2717 -8.2717 -8.2291 -8.2291 -7.9563 -7.9563 -3.5055 -3.5055 -3.4287 -3.4287 -3.3609 -3.3609 -3.2575 -3.2575 -2.0018 -2.0018 -1.8822 -1.8822 -1.8293 -1.8293 -1.6994 -1.6994 -1.5251 -1.5251 -1.4619 -1.4619 -0.3291 -0.3291 -0.1084 -0.1084 1.5929 1.5929 1.7789 1.7789 2.3073 2.3073 2.5095 2.5095 2.6786 2.6786 2.9041 2.9041 3.1300 3.1300 3.4167 3.4167 3.4694 3.4694 3.9717 3.9717 5.7703 5.7703 6.3526 6.3526 8.2467 8.2467 8.7087 8.7087 9.5362 9.5362 k = 0.0000 0.1892-0.0000 ( 7527 PWs) bands (ev): -8.5129 -8.5129 -8.2652 -8.2652 -8.2234 -8.2234 -7.9581 -7.9581 -3.5049 -3.5049 -3.4227 -3.4227 -3.3607 -3.3607 -3.2520 -3.2520 -2.0001 -2.0001 -1.8771 -1.8771 -1.8276 -1.8276 -1.6879 -1.6879 -1.5244 -1.5244 -1.4624 -1.4624 -0.3397 -0.3397 -0.1470 -0.1470 1.5334 1.5334 1.7395 1.7395 2.2985 2.2985 2.5076 2.5076 2.6804 2.6804 2.8848 2.8848 3.1151 3.1151 3.4100 3.4100 3.4382 3.4382 3.9543 3.9543 5.8186 5.8186 6.3365 6.3365 8.2987 8.2987 8.7885 8.7885 9.4938 9.4938 k = 0.0000 0.2027-0.0000 ( 7523 PWs) bands (ev): -8.5000 -8.5000 -8.2584 -8.2584 -8.2176 -8.2176 -7.9601 -7.9601 -3.5041 -3.5041 -3.4172 -3.4172 -3.3595 -3.3595 -3.2462 -3.2462 -1.9984 -1.9984 -1.8722 -1.8722 -1.8256 -1.8256 -1.6756 -1.6756 -1.5235 -1.5235 -1.4627 -1.4627 -0.3545 -0.3545 -0.1852 -0.1852 1.4731 1.4731 1.7015 1.7015 2.2852 2.2852 2.5067 2.5067 2.6855 2.6855 2.8669 2.8669 3.0937 3.0937 3.3885 3.3885 3.4299 3.4299 3.9359 3.9359 5.8621 5.8621 6.3191 6.3191 8.3496 8.3496 8.8640 8.8640 9.4581 9.4581 k = 0.0000 0.2162-0.0000 ( 7527 PWs) bands (ev): -8.4864 -8.4864 -8.2513 -8.2513 -8.2118 -8.2118 -7.9625 -7.9625 -3.5031 -3.5031 -3.4125 -3.4125 -3.3572 -3.3572 -3.2403 -3.2403 -1.9966 -1.9966 -1.8678 -1.8678 -1.8229 -1.8229 -1.6626 -1.6626 -1.5223 -1.5223 -1.4630 -1.4630 -0.3746 -0.3746 -0.2216 -0.2216 1.4132 1.4132 1.6648 1.6648 2.2663 2.2663 2.5081 2.5081 2.6931 2.6931 2.8510 2.8510 3.0655 3.0655 3.3657 3.3657 3.4314 3.4314 3.9166 3.9166 5.9005 5.9005 6.3007 6.3007 8.3991 8.3991 8.9314 8.9314 9.4332 9.4332 k = 0.0000 0.2297-0.0000 ( 7549 PWs) bands (ev): -8.4722 -8.4722 -8.2439 -8.2439 -8.2058 -8.2058 -7.9652 -7.9652 -3.5020 -3.5020 -3.4090 -3.4090 -3.3535 -3.3535 -3.2342 -3.2342 -1.9948 -1.9948 -1.8642 -1.8642 -1.8193 -1.8193 -1.6490 -1.6490 -1.5208 -1.5208 -1.4633 -1.4633 -0.4014 -0.4014 -0.2553 -0.2553 1.3553 1.3553 1.6295 1.6295 2.2415 2.2415 2.5125 2.5125 2.7027 2.7027 2.8370 2.8370 3.0309 3.0309 3.3485 3.3485 3.4354 3.4354 3.8964 3.8964 5.9336 5.9336 6.2816 6.2816 8.4470 8.4470 8.9862 8.9862 9.4234 9.4234 k = 0.0000 0.2432-0.0000 ( 7547 PWs) bands (ev): -8.4576 -8.4576 -8.2364 -8.2364 -8.1999 -8.1999 -7.9682 -7.9682 -3.5007 -3.5007 -3.4068 -3.4068 -3.3481 -3.3481 -3.2281 -3.2281 -1.9929 -1.9929 -1.8616 -1.8616 -1.8146 -1.8146 -1.6347 -1.6347 -1.5190 -1.5190 -1.4634 -1.4634 -0.4349 -0.4349 -0.2858 -0.2858 1.3003 1.3003 1.5957 1.5957 2.2113 2.2113 2.5197 2.5197 2.7134 2.7134 2.8252 2.8252 2.9914 2.9914 3.3369 3.3369 3.4407 3.4407 3.8753 3.8753 5.9613 5.9613 6.2618 6.2618 8.4933 8.4933 9.0249 9.0249 9.4321 9.4321 k = 0.0000 0.2568-0.0000 ( 7547 PWs) bands (ev): -8.4424 -8.4424 -8.2287 -8.2287 -8.1940 -8.1940 -7.9717 -7.9717 -3.4992 -3.4992 -3.4058 -3.4058 -3.3413 -3.3413 -3.2219 -3.2219 -1.9909 -1.9909 -1.8602 -1.8602 -1.8087 -1.8087 -1.6197 -1.6197 -1.5169 -1.5169 -1.4634 -1.4634 -0.4743 -0.4743 -0.3141 -0.3141 1.2493 1.2493 1.5635 1.5635 2.1767 2.1767 2.5288 2.5288 2.7246 2.7246 2.8152 2.8152 2.9493 2.9493 3.3299 3.3299 3.4470 3.4470 3.8536 3.8536 5.9835 5.9835 6.2417 6.2417 8.5380 8.5380 9.0479 9.0479 9.4584 9.4584 k = 0.0000 0.2703-0.0000 ( 7549 PWs) bands (ev): -8.4269 -8.4269 -8.2210 -8.2210 -8.1883 -8.1883 -7.9755 -7.9755 -3.4976 -3.4976 -3.4058 -3.4058 -3.3332 -3.3332 -3.2157 -3.2157 -1.9888 -1.9888 -1.8598 -1.8598 -1.8016 -1.8016 -1.6043 -1.6043 -1.5147 -1.5147 -1.4633 -1.4633 -0.5177 -0.5177 -0.3418 -0.3418 1.2032 1.2032 1.5329 1.5329 2.1389 2.1389 2.5387 2.5387 2.7347 2.7347 2.8067 2.8067 2.9078 2.9078 3.3263 3.3263 3.4540 3.4540 3.8313 3.8313 6.0003 6.0003 6.2215 6.2215 8.5812 8.5812 9.0605 9.0605 9.4965 9.4965 k = 0.0000 0.2838-0.0000 ( 7545 PWs) bands (ev): -8.4110 -8.4110 -8.2131 -8.2131 -8.1827 -8.1827 -7.9798 -7.9798 -3.4957 -3.4957 -3.4065 -3.4065 -3.3242 -3.3242 -3.2096 -3.2096 -1.9866 -1.9866 -1.8605 -1.8605 -1.7934 -1.7934 -1.5883 -1.5883 -1.5124 -1.5124 -1.4629 -1.4629 -0.5637 -0.5637 -0.3702 -0.3702 1.1626 1.1626 1.5041 1.5041 2.0990 2.0990 2.5474 2.5474 2.7394 2.7394 2.8005 2.8005 2.8724 2.8724 3.3250 3.3250 3.4616 3.4616 3.8086 3.8086 6.0118 6.0118 6.2014 6.2014 8.6229 8.6229 9.0690 9.0690 9.5393 9.5393 k = 0.0000 0.2973-0.0000 ( 7541 PWs) bands (ev): -8.3949 -8.3949 -8.2052 -8.2052 -8.1774 -8.1774 -7.9845 -7.9845 -3.4938 -3.4938 -3.4079 -3.4079 -3.3145 -3.3145 -3.2036 -3.2036 -1.9843 -1.9843 -1.8619 -1.8619 -1.7842 -1.7842 -1.5720 -1.5720 -1.5101 -1.5101 -1.4622 -1.4622 -0.6108 -0.6108 -0.4003 -0.4003 1.1279 1.1279 1.4769 1.4769 2.0581 2.0581 2.5522 2.5522 2.7307 2.7307 2.8013 2.8013 2.8490 2.8490 3.3255 3.3255 3.4695 3.4695 3.7855 3.7855 6.0184 6.0184 6.1816 6.1816 8.6632 8.6632 9.0785 9.0785 9.5809 9.5809 k = 0.0000 0.3108-0.0000 ( 7537 PWs) bands (ev): -8.3785 -8.3785 -8.1973 -8.1973 -8.1724 -8.1724 -7.9896 -7.9896 -3.4917 -3.4917 -3.4097 -3.4097 -3.3042 -3.3042 -3.1978 -3.1978 -1.9818 -1.9818 -1.8641 -1.8641 -1.7742 -1.7742 -1.5554 -1.5554 -1.5079 -1.5079 -1.4612 -1.4612 -0.6582 -0.6582 -0.4326 -0.4326 1.0995 1.0995 1.4516 1.4516 2.0172 2.0172 2.5479 2.5479 2.7109 2.7109 2.8098 2.8098 2.8396 2.8396 3.3269 3.3269 3.4776 3.4776 3.7624 3.7624 6.0205 6.0205 6.1621 6.1621 8.7024 8.7024 9.0920 9.0920 9.6172 9.6172 k = 0.0000 0.3243-0.0000 ( 7531 PWs) bands (ev): -8.3620 -8.3620 -8.1895 -8.1895 -8.1678 -8.1678 -7.9952 -7.9952 -3.4894 -3.4894 -3.4117 -3.4117 -3.2936 -3.2936 -3.1923 -3.1923 -1.9792 -1.9792 -1.8668 -1.8668 -1.7634 -1.7634 -1.5388 -1.5388 -1.5058 -1.5058 -1.4597 -1.4597 -0.7051 -0.7051 -0.4673 -0.4673 1.0774 1.0774 1.4280 1.4280 1.9772 1.9772 2.5284 2.5284 2.6948 2.6948 2.8174 2.8174 2.8440 2.8440 3.3288 3.3288 3.4857 3.4857 3.7393 3.7393 6.0186 6.0186 6.1430 6.1430 8.7407 8.7407 9.1113 9.1113 9.6456 9.6456 k = 0.0000 0.3378-0.0000 ( 7533 PWs) bands (ev): -8.3454 -8.3454 -8.1818 -8.1818 -8.1636 -8.1636 -8.0013 -8.0013 -3.4870 -3.4870 -3.4141 -3.4141 -3.2828 -3.2828 -3.1871 -3.1871 -1.9764 -1.9764 -1.8701 -1.8701 -1.7519 -1.7519 -1.5231 -1.5231 -1.5030 -1.5030 -1.4577 -1.4577 -0.7507 -0.7507 -0.5043 -0.5043 1.0615 1.0615 1.4061 1.4061 1.9389 1.9389 2.4922 2.4922 2.6896 2.6896 2.8200 2.8200 2.8603 2.8603 3.3307 3.3307 3.4938 3.4938 3.7164 3.7164 6.0136 6.0136 6.1242 6.1242 8.7787 8.7787 9.1369 9.1369 9.6646 9.6646 k = 0.0000 0.3514-0.0000 ( 7541 PWs) bands (ev): -8.3289 -8.3289 -8.1742 -8.1742 -8.1598 -8.1598 -8.0078 -8.0078 -3.4845 -3.4845 -3.4166 -3.4166 -3.2720 -3.2720 -3.1823 -3.1823 -1.9735 -1.9735 -1.8738 -1.8738 -1.7396 -1.7396 -1.5123 -1.5123 -1.4961 -1.4961 -1.4551 -1.4551 -0.7945 -0.7945 -0.5434 -0.5434 1.0514 1.0514 1.3857 1.3857 1.9031 1.9031 2.4443 2.4443 2.6931 2.6931 2.8212 2.8212 2.8821 2.8821 3.3320 3.3320 3.5016 3.5016 3.6941 3.6941 6.0062 6.0062 6.1057 6.1057 8.8168 8.8168 9.1686 9.1686 9.6736 9.6736 k = 0.0000 0.3649-0.0000 ( 7531 PWs) bands (ev): -8.3124 -8.3124 -8.1667 -8.1667 -8.1567 -8.1567 -8.0149 -8.0149 -3.4818 -3.4818 -3.4193 -3.4193 -3.2611 -3.2611 -3.1781 -3.1781 -1.9704 -1.9704 -1.8779 -1.8779 -1.7267 -1.7267 -1.5094 -1.5094 -1.4822 -1.4822 -1.4519 -1.4519 -0.8358 -0.8358 -0.5840 -0.5840 1.0469 1.0469 1.3665 1.3665 1.8708 1.8708 2.3901 2.3901 2.7012 2.7012 2.8223 2.8223 2.9067 2.9067 3.3323 3.3323 3.5091 3.5091 3.6725 3.6725 5.9974 5.9974 6.0874 6.0874 8.8557 8.8557 9.2061 9.2061 9.6729 9.6729 k = 0.0000 0.3784-0.0000 ( 7531 PWs) bands (ev): -8.2961 -8.2961 -8.1594 -8.1594 -8.1541 -8.1541 -8.0223 -8.0223 -3.4790 -3.4790 -3.4222 -3.4222 -3.2504 -3.2504 -3.1744 -3.1744 -1.9671 -1.9671 -1.8823 -1.8823 -1.7130 -1.7130 -1.5099 -1.5099 -1.4663 -1.4663 -1.4481 -1.4481 -0.8739 -0.8739 -0.6258 -0.6258 1.0473 1.0473 1.3484 1.3484 1.8426 1.8426 2.3330 2.3330 2.7114 2.7114 2.8233 2.8233 2.9331 2.9331 3.3311 3.3311 3.5162 3.5162 3.6522 3.6522 5.9878 5.9878 6.0694 6.0694 8.8958 8.8958 9.2485 9.2485 9.6632 9.6632 k = 0.0000 0.3919-0.0000 ( 7533 PWs) bands (ev): -8.2801 -8.2801 -8.1525 -8.1525 -8.1520 -8.1520 -8.0302 -8.0302 -3.4762 -3.4762 -3.4251 -3.4251 -3.2400 -3.2400 -3.1713 -3.1713 -1.9636 -1.9636 -1.8870 -1.8870 -1.6988 -1.6988 -1.5120 -1.5120 -1.4506 -1.4506 -1.4438 -1.4438 -0.9080 -0.9080 -0.6681 -0.6681 1.0521 1.0521 1.3308 1.3308 1.8195 1.8195 2.2748 2.2748 2.7225 2.7225 2.8240 2.8240 2.9608 2.9608 3.3277 3.3277 3.5228 3.5228 3.6335 3.6335 5.9782 5.9782 6.0517 6.0517 8.9376 8.9376 9.2949 9.2949 9.6456 9.6456 k = 0.0000 0.4054-0.0000 ( 7534 PWs) bands (ev): -8.2644 -8.2644 -8.1513 -8.1513 -8.1452 -8.1452 -8.0384 -8.0384 -3.4732 -3.4732 -3.4281 -3.4281 -3.2300 -3.2300 -3.1690 -3.1690 -1.9599 -1.9599 -1.8919 -1.8919 -1.6840 -1.6840 -1.5154 -1.5154 -1.4392 -1.4392 -1.4359 -1.4359 -0.9375 -0.9375 -0.7104 -0.7104 1.0607 1.0607 1.3135 1.3135 1.8022 1.8022 2.2167 2.2167 2.7339 2.7339 2.8241 2.8241 2.9896 2.9896 3.3217 3.3217 3.5288 3.5288 3.6167 3.6167 5.9692 5.9692 6.0346 6.0346 8.9812 8.9812 9.3445 9.3445 9.6214 9.6214 k = 0.0000 0.4189-0.0000 ( 7530 PWs) bands (ev): -8.2492 -8.2492 -8.1512 -8.1512 -8.1384 -8.1384 -8.0469 -8.0469 -3.4702 -3.4702 -3.4312 -3.4312 -3.2204 -3.2204 -3.1674 -3.1674 -1.9560 -1.9560 -1.8969 -1.8969 -1.6687 -1.6687 -1.5201 -1.5201 -1.4341 -1.4341 -1.4230 -1.4230 -0.9614 -0.9614 -0.7521 -0.7521 1.0724 1.0724 1.2960 1.2960 1.7914 1.7914 2.1596 2.1596 2.7451 2.7451 2.8236 2.8236 3.0191 3.0191 3.3127 3.3127 3.5342 3.5342 3.6021 3.6021 5.9613 5.9613 6.0183 6.0183 9.0266 9.0266 9.3961 9.3961 9.5920 9.5920 k = 0.0000 0.4324-0.0000 ( 7532 PWs) bands (ev): -8.2346 -8.2346 -8.1520 -8.1520 -8.1317 -8.1317 -8.0556 -8.0556 -3.4671 -3.4671 -3.4344 -3.4344 -3.2113 -3.2113 -3.1667 -3.1667 -1.9518 -1.9518 -1.9021 -1.9021 -1.6531 -1.6531 -1.5260 -1.5260 -1.4288 -1.4288 -1.4123 -1.4123 -0.9788 -0.9788 -0.7926 -0.7926 1.0867 1.0867 1.2781 1.2781 1.7877 1.7877 2.1042 2.1042 2.7561 2.7561 2.8222 2.8222 3.0490 3.0490 3.3003 3.3003 3.5390 3.5390 3.5900 3.5900 5.9548 5.9548 6.0030 6.0030 9.0738 9.0738 9.4473 9.4473 9.5601 9.5601 k = 0.0000 0.4459-0.0000 ( 7540 PWs) bands (ev): -8.2207 -8.2207 -8.1540 -8.1540 -8.1251 -8.1251 -8.0643 -8.0643 -3.4639 -3.4639 -3.4376 -3.4376 -3.2029 -3.2029 -3.1669 -3.1669 -1.9475 -1.9475 -1.9074 -1.9074 -1.6373 -1.6373 -1.5334 -1.5334 -1.4232 -1.4232 -1.4046 -1.4046 -0.9890 -0.9890 -0.8314 -0.8314 1.1031 1.1031 1.2596 1.2596 1.7913 1.7913 2.0512 2.0512 2.7665 2.7665 2.8199 2.8199 3.0790 3.0790 3.2847 3.2847 3.5433 3.5433 3.5802 3.5802 5.9500 5.9500 5.9892 5.9892 9.1223 9.1223 9.4820 9.4820 9.5420 9.5420 k = 0.0000 0.4595-0.0000 ( 7536 PWs) bands (ev): -8.2078 -8.2078 -8.1573 -8.1573 -8.1184 -8.1184 -8.0730 -8.0730 -3.4607 -3.4607 -3.4409 -3.4409 -3.1953 -3.1953 -3.1681 -3.1681 -1.9430 -1.9430 -1.9127 -1.9127 -1.6216 -1.6216 -1.5422 -1.5422 -1.4176 -1.4176 -1.3999 -1.3999 -0.9915 -0.9915 -0.8677 -0.8677 1.1210 1.1210 1.2404 1.2404 1.8022 1.8022 2.0013 2.0013 2.7763 2.7763 2.8167 2.8167 3.1088 3.1088 3.2658 3.2658 3.5472 3.5472 3.5724 3.5724 5.9473 5.9473 5.9769 5.9769 9.1720 9.1720 9.4601 9.4601 9.5777 9.5777 k = 0.0000 0.4730-0.0000 ( 7542 PWs) bands (ev): -8.1959 -8.1959 -8.1620 -8.1620 -8.1117 -8.1117 -8.0815 -8.0815 -3.4574 -3.4574 -3.4442 -3.4442 -3.1885 -3.1885 -3.1702 -3.1702 -1.9383 -1.9383 -1.9180 -1.9180 -1.6061 -1.6061 -1.5525 -1.5525 -1.4120 -1.4120 -1.3983 -1.3983 -0.9863 -0.9863 -0.9009 -0.9009 1.1400 1.1400 1.2206 1.2206 1.8203 1.8203 1.9551 1.9551 2.7853 2.7853 2.8124 2.8124 3.1382 3.1382 3.2442 3.2442 3.5507 3.5507 3.5664 3.5664 5.9466 5.9466 5.9666 5.9666 9.2223 9.2223 9.4181 9.4181 9.6310 9.6310 k = 0.0000 0.4865-0.0000 ( 7542 PWs) bands (ev): -8.1852 -8.1852 -8.1682 -8.1682 -8.1047 -8.1047 -8.0896 -8.0896 -3.4541 -3.4541 -3.4475 -3.4475 -3.1825 -3.1825 -3.1733 -3.1733 -1.9334 -1.9334 -1.9232 -1.9232 -1.5913 -1.5913 -1.5642 -1.5642 -1.4068 -1.4068 -1.3994 -1.3994 -0.9738 -0.9738 -0.9302 -0.9302 1.1598 1.1598 1.2004 1.2004 1.8453 1.8453 1.9133 1.9133 2.7935 2.7935 2.8071 2.8071 3.1668 3.1668 3.2202 3.2202 3.5541 3.5541 3.5616 3.5616 5.9482 5.9482 5.9582 5.9582 9.2727 9.2727 9.3714 9.3714 9.6860 9.6860 k = 0.0000 0.5000-0.0000 ( 7550 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1774 -3.1774 -3.1774 -3.1774 -1.9283 -1.9283 -1.9283 -1.9283 -1.5772 -1.5772 -1.5772 -1.5772 -1.4024 -1.4024 -1.4024 -1.4024 -0.9548 -0.9548 -0.9548 -0.9548 1.1800 1.1800 1.1800 1.1800 1.8764 1.8764 1.8764 1.8764 2.8008 2.8008 2.8008 2.8008 3.1942 3.1942 3.1942 3.1942 3.5576 3.5576 3.5576 3.5576 5.9521 5.9521 5.9521 5.9521 9.3226 9.3226 9.3226 9.3226 9.7402 9.7402 k = 0.0000 0.5000-0.0000 ( 7550 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1774 -3.1774 -3.1774 -3.1774 -1.9283 -1.9283 -1.9283 -1.9283 -1.5772 -1.5772 -1.5772 -1.5772 -1.4024 -1.4024 -1.4024 -1.4024 -0.9548 -0.9548 -0.9548 -0.9548 1.1800 1.1800 1.1800 1.1800 1.8764 1.8764 1.8764 1.8764 2.8008 2.8008 2.8008 2.8008 3.1942 3.1942 3.1942 3.1942 3.5576 3.5576 3.5576 3.5576 5.9521 5.9521 5.9521 5.9521 9.3226 9.3226 9.3226 9.3226 9.7402 9.7402 k = 0.0135 0.5000-0.0000 ( 7538 PWs) bands (ev): -8.1759 -8.1759 -8.1753 -8.1753 -8.0972 -8.0972 -8.0972 -8.0972 -3.4508 -3.4508 -3.4503 -3.4503 -3.1803 -3.1803 -3.1747 -3.1747 -1.9342 -1.9342 -1.9222 -1.9222 -1.5789 -1.5789 -1.5758 -1.5758 -1.4025 -1.4025 -1.4024 -1.4024 -0.9568 -0.9568 -0.9518 -0.9518 1.1790 1.1790 1.1819 1.1819 1.8754 1.8754 1.8775 1.8775 2.7797 2.7797 2.8124 2.8124 3.1822 3.1822 3.2028 3.2028 3.5455 3.5455 3.5659 3.5659 5.9414 5.9414 5.9709 5.9709 9.3167 9.3167 9.3272 9.3272 9.7371 9.7371 k = 0.0270 0.5000-0.0000 ( 7542 PWs) bands (ev): -8.1752 -8.1752 -8.1740 -8.1740 -8.0966 -8.0966 -8.0966 -8.0966 -3.4504 -3.4504 -3.4494 -3.4494 -3.1831 -3.1831 -3.1720 -3.1720 -1.9396 -1.9396 -1.9156 -1.9156 -1.5808 -1.5808 -1.5748 -1.5748 -1.4025 -1.4025 -1.4023 -1.4023 -0.9577 -0.9577 -0.9476 -0.9476 1.1788 1.1788 1.1846 1.1846 1.8744 1.8744 1.8785 1.8785 2.7507 2.7507 2.8132 2.8132 3.1683 3.1683 3.2068 3.2068 3.5300 3.5300 3.5701 3.5701 5.9389 5.9389 5.9973 5.9973 9.3097 9.3097 9.3298 9.3298 9.7368 9.7368 k = 0.0405 0.5000-0.0000 ( 7550 PWs) bands (ev): -8.1739 -8.1739 -8.1721 -8.1721 -8.0956 -8.0956 -8.0956 -8.0956 -3.4496 -3.4496 -3.4481 -3.4481 -3.1861 -3.1861 -3.1695 -3.1695 -1.9448 -1.9448 -1.9087 -1.9087 -1.5831 -1.5831 -1.5740 -1.5740 -1.4025 -1.4025 -1.4022 -1.4022 -0.9577 -0.9577 -0.9423 -0.9423 1.1793 1.1793 1.1881 1.1881 1.8733 1.8733 1.8794 1.8794 2.7149 2.7149 2.8022 2.8022 3.1539 3.1539 3.2056 3.2056 3.5112 3.5112 3.5700 3.5700 5.9445 5.9445 6.0305 6.0305 9.3012 9.3012 9.3293 9.3293 9.7385 9.7385 k = 0.0541 0.5000-0.0000 ( 7546 PWs) bands (ev): -8.1720 -8.1720 -8.1695 -8.1695 -8.0943 -8.0943 -8.0943 -8.0943 -3.4483 -3.4483 -3.4463 -3.4463 -3.1891 -3.1891 -3.1670 -3.1670 -1.9496 -1.9496 -1.9014 -1.9014 -1.5856 -1.5856 -1.5736 -1.5736 -1.4026 -1.4026 -1.4020 -1.4020 -0.9567 -0.9567 -0.9359 -0.9359 1.1806 1.1806 1.1923 1.1923 1.8721 1.8721 1.8802 1.8802 2.6735 2.6735 2.7790 2.7790 3.1402 3.1402 3.1991 3.1991 3.4894 3.4894 3.5653 3.5653 5.9577 5.9577 6.0696 6.0696 9.2908 9.2908 9.3246 9.3246 9.7406 9.7406 k = 0.0676 0.5000-0.0000 ( 7530 PWs) bands (ev): -8.1694 -8.1694 -8.1663 -8.1663 -8.0926 -8.0926 -8.0926 -8.0926 -3.4466 -3.4466 -3.4441 -3.4441 -3.1921 -3.1921 -3.1647 -3.1647 -1.9540 -1.9540 -1.8937 -1.8937 -1.5884 -1.5884 -1.5735 -1.5735 -1.4027 -1.4027 -1.4018 -1.4018 -0.9549 -0.9549 -0.9283 -0.9283 1.1825 1.1825 1.1972 1.1972 1.8707 1.8707 1.8807 1.8807 2.6276 2.6276 2.7445 2.7445 3.1274 3.1274 3.1873 3.1873 3.4650 3.4650 3.5561 3.5561 5.9777 5.9777 6.1133 6.1133 9.2778 9.2778 9.3148 9.3148 9.7400 9.7400 k = 0.0811 0.5000-0.0000 ( 7526 PWs) bands (ev): -8.1662 -8.1662 -8.1625 -8.1625 -8.0906 -8.0906 -8.0905 -8.0905 -3.4444 -3.4444 -3.4415 -3.4415 -3.1951 -3.1951 -3.1624 -3.1624 -1.9582 -1.9582 -1.8856 -1.8856 -1.5915 -1.5915 -1.5736 -1.5736 -1.4029 -1.4029 -1.4016 -1.4016 -0.9524 -0.9524 -0.9197 -0.9197 1.1849 1.1849 1.2026 1.2026 1.8690 1.8690 1.8808 1.8808 2.5784 2.5784 2.7004 2.7004 3.1148 3.1148 3.1706 3.1706 3.4382 3.4382 3.5424 3.5424 6.0034 6.0034 6.1603 6.1603 9.2615 9.2615 9.2994 9.2994 9.7318 9.7318 k = 0.0946 0.5000-0.0000 ( 7522 PWs) bands (ev): -8.1624 -8.1624 -8.1582 -8.1582 -8.0882 -8.0882 -8.0881 -8.0881 -3.4419 -3.4419 -3.4384 -3.4384 -3.1982 -3.1982 -3.1603 -3.1603 -1.9620 -1.9620 -1.8771 -1.8771 -1.5948 -1.5948 -1.5740 -1.5740 -1.4032 -1.4032 -1.4013 -1.4013 -0.9492 -0.9492 -0.9100 -0.9100 1.1876 1.1876 1.2085 1.2085 1.8667 1.8667 1.8802 1.8802 2.5269 2.5269 2.6490 2.6490 3.1016 3.1016 3.1493 3.1493 3.4092 3.4092 3.5244 3.5244 6.0338 6.0338 6.2094 6.2094 9.2414 9.2414 9.2785 9.2785 9.7114 9.7114 k = 0.1081 0.5000-0.0000 ( 7510 PWs) bands (ev): -8.1580 -8.1580 -8.1533 -8.1533 -8.0854 -8.0854 -8.0853 -8.0853 -3.4389 -3.4389 -3.4349 -3.4349 -3.2013 -3.2013 -3.1584 -3.1584 -1.9655 -1.9655 -1.8683 -1.8683 -1.5983 -1.5983 -1.5748 -1.5748 -1.4035 -1.4035 -1.4009 -1.4009 -0.9454 -0.9454 -0.8993 -0.8993 1.1905 1.1905 1.2145 1.2145 1.8635 1.8635 1.8788 1.8788 2.4743 2.4743 2.5926 2.5926 3.0869 3.0869 3.1241 3.1241 3.3785 3.3785 3.5022 3.5022 6.0675 6.0675 6.2591 6.2591 9.2174 9.2174 9.2527 9.2527 9.6773 9.6773 k = 0.1216 0.5000-0.0000 ( 7506 PWs) bands (ev): -8.1531 -8.1531 -8.1479 -8.1479 -8.0824 -8.0824 -8.0823 -8.0823 -3.4355 -3.4355 -3.4310 -3.4310 -3.2044 -3.2044 -3.1565 -3.1565 -1.9686 -1.9686 -1.8590 -1.8590 -1.6020 -1.6020 -1.5757 -1.5757 -1.4040 -1.4040 -1.4005 -1.4005 -0.9412 -0.9412 -0.8876 -0.8876 1.1933 1.1933 1.2206 1.2206 1.8591 1.8591 1.8761 1.8761 2.4220 2.4220 2.5332 2.5332 3.0701 3.0701 3.0955 3.0955 3.3463 3.3463 3.4763 3.4763 6.1034 6.1034 6.3083 6.3083 9.1890 9.1890 9.2225 9.2225 9.6315 9.6315 k = 0.1351 0.5000-0.0000 ( 7506 PWs) bands (ev): -8.1477 -8.1477 -8.1420 -8.1420 -8.0791 -8.0791 -8.0790 -8.0790 -3.4317 -3.4317 -3.4267 -3.4267 -3.2074 -3.2074 -3.1548 -3.1548 -1.9714 -1.9714 -1.8494 -1.8494 -1.6058 -1.6058 -1.5770 -1.5770 -1.4046 -1.4046 -1.4001 -1.4001 -0.9366 -0.9366 -0.8751 -0.8751 1.1959 1.1959 1.2263 1.2263 1.8531 1.8531 1.8718 1.8718 2.3711 2.3711 2.4731 2.4731 3.0506 3.0506 3.0640 3.0640 3.3131 3.3131 3.4467 3.4467 6.1403 6.1403 6.3558 6.3558 9.1561 9.1561 9.1885 9.1885 9.5777 9.5777 k = 0.1486 0.5000-0.0000 ( 7512 PWs) bands (ev): -8.1418 -8.1418 -8.1357 -8.1357 -8.0755 -8.0755 -8.0754 -8.0754 -3.4275 -3.4275 -3.4220 -3.4220 -3.2104 -3.2104 -3.1533 -3.1533 -1.9738 -1.9738 -1.8394 -1.8394 -1.6096 -1.6096 -1.5785 -1.5785 -1.4053 -1.4053 -1.3996 -1.3996 -0.9318 -0.9318 -0.8618 -0.8618 1.1979 1.1979 1.2314 1.2314 1.8450 1.8450 1.8655 1.8655 2.3232 2.3232 2.4140 2.4140 3.0283 3.0283 3.0301 3.0301 3.2790 3.2790 3.4140 3.4140 6.1770 6.1770 6.4004 6.4004 9.1180 9.1180 9.1508 9.1508 9.5199 9.5199 k = 0.1622 0.5000-0.0000 ( 7520 PWs) bands (ev): -8.1355 -8.1355 -8.1291 -8.1291 -8.0717 -8.0717 -8.0716 -8.0716 -3.4230 -3.4230 -3.4168 -3.4168 -3.2135 -3.2135 -3.1519 -3.1519 -1.9759 -1.9759 -1.8291 -1.8291 -1.6136 -1.6136 -1.5803 -1.5803 -1.4062 -1.4062 -1.3992 -1.3992 -0.9270 -0.9270 -0.8479 -0.8479 1.1990 1.1990 1.2353 1.2353 1.8344 1.8344 1.8568 1.8568 2.2795 2.2795 2.3578 2.3578 2.9944 2.9944 3.0031 3.0031 3.2443 3.2443 3.3782 3.3782 6.2127 6.2127 6.4412 6.4412 9.0739 9.0739 9.1093 9.1093 9.4617 9.4617 k = 0.1757 0.5000-0.0000 ( 7520 PWs) bands (ev): -8.1288 -8.1288 -8.1220 -8.1220 -8.0676 -8.0676 -8.0675 -8.0675 -3.4181 -3.4181 -3.4113 -3.4113 -3.2164 -3.2164 -3.1507 -3.1507 -1.9775 -1.9775 -1.8185 -1.8185 -1.6176 -1.6176 -1.5822 -1.5822 -1.4072 -1.4072 -1.3988 -1.3988 -0.9222 -0.9222 -0.8335 -0.8335 1.1989 1.1989 1.2377 1.2377 1.8210 1.8210 1.8453 1.8453 2.2412 2.2412 2.3060 2.3060 2.9575 2.9575 2.9752 2.9752 3.2093 3.2093 3.3398 3.3398 6.2465 6.2465 6.4777 6.4777 9.0233 9.0233 9.0633 9.0633 9.4063 9.4063 k = 0.1892 0.5000-0.0000 ( 7524 PWs) bands (ev): -8.1217 -8.1217 -8.1147 -8.1147 -8.0634 -8.0634 -8.0633 -8.0633 -3.4129 -3.4129 -3.4053 -3.4053 -3.2194 -3.2194 -3.1496 -3.1496 -1.9787 -1.9787 -1.8076 -1.8076 -1.6215 -1.6215 -1.5844 -1.5844 -1.4085 -1.4085 -1.3984 -1.3984 -0.9176 -0.9176 -0.8188 -0.8188 1.1973 1.1973 1.2379 1.2379 1.8049 1.8049 1.8309 1.8309 2.2089 2.2089 2.2600 2.2600 2.9197 2.9197 2.9448 2.9448 3.1741 3.1741 3.2989 3.2989 6.2777 6.2777 6.5091 6.5091 8.9661 8.9661 9.0121 9.0121 9.3567 9.3567 k = 0.2027 0.5000-0.0000 ( 7506 PWs) bands (ev): -8.1144 -8.1144 -8.1071 -8.1071 -8.0590 -8.0590 -8.0589 -8.0589 -3.4074 -3.4074 -3.3990 -3.3990 -3.2222 -3.2222 -3.1487 -3.1487 -1.9795 -1.9795 -1.7965 -1.7965 -1.6255 -1.6255 -1.5868 -1.5868 -1.4101 -1.4101 -1.3980 -1.3980 -0.9133 -0.9133 -0.8040 -0.8040 1.1938 1.1938 1.2353 1.2353 1.7865 1.7865 1.8141 1.8141 2.1831 2.1831 2.2206 2.2206 2.8816 2.8816 2.9123 2.9123 3.1388 3.1388 3.2558 3.2558 6.3058 6.3058 6.5351 6.5351 8.9029 8.9029 8.9553 8.9553 9.3150 9.3150 k = 0.2162 0.5000-0.0000 ( 7502 PWs) bands (ev): -8.1068 -8.1068 -8.0993 -8.0993 -8.0545 -8.0545 -8.0543 -8.0543 -3.4016 -3.4016 -3.3922 -3.3922 -3.2251 -3.2251 -3.1480 -3.1480 -1.9798 -1.9798 -1.7853 -1.7853 -1.6293 -1.6293 -1.5894 -1.5894 -1.4120 -1.4120 -1.3977 -1.3977 -0.9094 -0.9094 -0.7893 -0.7893 1.1881 1.1881 1.2292 1.2292 1.7668 1.7668 1.7958 1.7958 2.1632 2.1632 2.1878 2.1878 2.8437 2.8437 2.8781 2.8781 3.1033 3.1033 3.2108 3.2108 6.3306 6.3306 6.5557 6.5557 8.8350 8.8350 8.8929 8.8929 9.2822 9.2822 k = 0.2297 0.5000-0.0000 ( 7496 PWs) bands (ev): -8.0990 -8.0990 -8.0913 -8.0913 -8.0499 -8.0499 -8.0497 -8.0497 -3.3956 -3.3956 -3.3851 -3.3851 -3.2279 -3.2279 -3.1475 -3.1475 -1.9795 -1.9795 -1.7739 -1.7739 -1.6330 -1.6330 -1.5921 -1.5921 -1.4142 -1.4142 -1.3976 -1.3976 -0.9060 -0.9060 -0.7749 -0.7749 1.1803 1.1803 1.2192 1.2192 1.7469 1.7469 1.7774 1.7774 2.1487 2.1487 2.1612 2.1612 2.8064 2.8064 2.8427 2.8427 3.0679 3.0679 3.1642 3.1642 6.3517 6.3517 6.5708 6.5708 8.7638 8.7638 8.8261 8.8261 9.2583 9.2583 k = 0.2432 0.5000-0.0000 ( 7488 PWs) bands (ev): -8.0911 -8.0911 -8.0833 -8.0833 -8.0452 -8.0452 -8.0450 -8.0450 -3.3894 -3.3894 -3.3777 -3.3777 -3.2306 -3.2306 -3.1471 -3.1471 -1.9786 -1.9786 -1.7626 -1.7626 -1.6366 -1.6366 -1.5950 -1.5950 -1.4167 -1.4167 -1.3975 -1.3975 -0.9031 -0.9031 -0.7610 -0.7610 1.1702 1.1702 1.2050 1.2050 1.7281 1.7281 1.7605 1.7605 2.1384 2.1384 2.1398 2.1398 2.7701 2.7701 2.8065 2.8065 3.0326 3.0326 3.1161 3.1161 6.3692 6.3692 6.5808 6.5808 8.6907 8.6907 8.7561 8.7561 9.2428 9.2428 k = 0.2568 0.5000-0.0000 ( 7488 PWs) bands (ev): -8.0831 -8.0831 -8.0753 -8.0753 -8.0405 -8.0405 -8.0403 -8.0403 -3.3830 -3.3830 -3.3699 -3.3699 -3.2332 -3.2332 -3.1469 -3.1469 -1.9771 -1.9771 -1.7513 -1.7513 -1.6400 -1.6400 -1.5981 -1.5981 -1.4197 -1.4197 -1.3975 -1.3975 -0.9009 -0.9009 -0.7480 -0.7480 1.1581 1.1581 1.1867 1.1867 1.7112 1.7112 1.7465 1.7465 2.1225 2.1225 2.1313 2.1313 2.7352 2.7352 2.7697 2.7697 2.9975 2.9975 3.0670 3.0670 6.3832 6.3832 6.5858 6.5858 8.6171 8.6171 8.6842 8.6842 9.2347 9.2347 k = 0.2703 0.5000-0.0000 ( 7496 PWs) bands (ev): -8.0750 -8.0750 -8.0672 -8.0672 -8.0358 -8.0358 -8.0356 -8.0356 -3.3766 -3.3766 -3.3617 -3.3617 -3.2358 -3.2358 -3.1470 -3.1470 -1.9749 -1.9749 -1.7403 -1.7403 -1.6432 -1.6432 -1.6012 -1.6012 -1.4231 -1.4231 -1.3977 -1.3977 -0.8992 -0.8992 -0.7361 -0.7361 1.1444 1.1444 1.1650 1.1650 1.6968 1.6968 1.7361 1.7361 2.1080 2.1080 2.1266 2.1266 2.7020 2.7020 2.7327 2.7327 2.9631 2.9631 3.0171 3.0171 6.3938 6.3938 6.5865 6.5865 8.5440 8.5440 8.6117 8.6117 9.2332 9.2332 k = 0.2838 0.5000-0.0000 ( 7504 PWs) bands (ev): -8.0670 -8.0670 -8.0593 -8.0593 -8.0312 -8.0312 -8.0310 -8.0310 -3.3700 -3.3700 -3.3533 -3.3533 -3.2384 -3.2384 -3.1473 -3.1473 -1.9720 -1.9720 -1.7296 -1.7296 -1.6462 -1.6462 -1.6044 -1.6044 -1.4270 -1.4270 -1.3981 -1.3981 -0.8981 -0.8981 -0.7257 -0.7257 1.1297 1.1297 1.1407 1.1407 1.6853 1.6853 1.7297 1.7297 2.0956 2.0956 2.1234 2.1234 2.6707 2.6707 2.6957 2.6957 2.9294 2.9294 2.9670 2.9670 6.4014 6.4014 6.5834 6.5834 8.4722 8.4722 8.5397 8.5397 9.2375 9.2375 k = 0.2973 0.5000-0.0000 ( 7490 PWs) bands (ev): -8.0591 -8.0591 -8.0515 -8.0515 -8.0266 -8.0266 -8.0263 -8.0263 -3.3634 -3.3634 -3.3446 -3.3446 -3.2408 -3.2408 -3.1478 -3.1478 -1.9682 -1.9682 -1.7195 -1.7195 -1.6489 -1.6489 -1.6078 -1.6078 -1.4313 -1.4313 -1.3987 -1.3987 -0.8974 -0.8974 -0.7168 -0.7168 1.1146 1.1146 1.1152 1.1152 1.6765 1.6765 1.7270 1.7270 2.0844 2.0844 2.1209 2.1209 2.6416 2.6416 2.6587 2.6587 2.8969 2.8969 2.9170 2.9170 6.4062 6.4062 6.5769 6.5769 8.4024 8.4024 8.4688 8.4688 9.2467 9.2467 k = 0.3108 0.5000-0.0000 ( 7502 PWs) bands (ev): -8.0513 -8.0513 -8.0439 -8.0439 -8.0221 -8.0221 -8.0219 -8.0219 -3.3569 -3.3569 -3.3356 -3.3356 -3.2432 -3.2432 -3.1486 -3.1486 -1.9635 -1.9635 -1.7101 -1.7101 -1.6514 -1.6514 -1.6112 -1.6112 -1.4359 -1.4359 -1.3994 -1.3994 -0.8970 -0.8970 -0.7099 -0.7099 1.0894 1.0894 1.0996 1.0996 1.6703 1.6703 1.7276 1.7276 2.0737 2.0737 2.1187 2.1187 2.6146 2.6146 2.6221 2.6221 2.8659 2.8659 2.8677 2.8677 6.4087 6.4087 6.5678 6.5678 8.3352 8.3352 8.3999 8.3999 9.2601 9.2601 k = 0.3243 0.5000-0.0000 ( 7486 PWs) bands (ev): -8.0438 -8.0438 -8.0366 -8.0366 -8.0177 -8.0177 -8.0175 -8.0175 -3.3504 -3.3504 -3.3265 -3.3265 -3.2455 -3.2455 -3.1497 -3.1497 -1.9579 -1.9579 -1.7017 -1.7017 -1.6537 -1.6537 -1.6147 -1.6147 -1.4408 -1.4408 -1.4004 -1.4004 -0.8968 -0.8968 -0.7052 -0.7052 1.0647 1.0647 1.0853 1.0853 1.6666 1.6666 1.7311 1.7311 2.0632 2.0632 2.1160 2.1160 2.5859 2.5859 2.5898 2.5898 2.8198 2.8198 2.8367 2.8367 6.4092 6.4092 6.5565 6.5565 8.2711 8.2711 8.3334 8.3334 9.2771 9.2771 k = 0.3378 0.5000-0.0000 ( 7476 PWs) bands (ev): -8.0365 -8.0365 -8.0296 -8.0296 -8.0135 -8.0135 -8.0133 -8.0133 -3.3440 -3.3440 -3.3173 -3.3173 -3.2477 -3.2477 -3.1511 -3.1511 -1.9512 -1.9512 -1.6945 -1.6945 -1.6556 -1.6556 -1.6184 -1.6184 -1.4457 -1.4457 -1.4016 -1.4016 -0.8964 -0.8964 -0.7027 -0.7027 1.0419 1.0419 1.0721 1.0721 1.6651 1.6651 1.7368 1.7368 2.0524 2.0524 2.1124 2.1124 2.5504 2.5504 2.5668 2.5668 2.7743 2.7743 2.8095 2.8095 6.4083 6.4083 6.5436 6.5436 8.2104 8.2104 8.2699 8.2699 9.2969 9.2969 k = 0.3514 0.5000-0.0000 ( 7476 PWs) bands (ev): -8.0295 -8.0295 -8.0230 -8.0230 -8.0095 -8.0095 -8.0093 -8.0093 -3.3377 -3.3377 -3.3081 -3.3081 -3.2498 -3.2498 -3.1529 -3.1529 -1.9435 -1.9435 -1.6890 -1.6890 -1.6573 -1.6573 -1.6223 -1.6223 -1.4504 -1.4504 -1.4031 -1.4031 -0.8958 -0.8958 -0.7027 -0.7027 1.0217 1.0217 1.0603 1.0603 1.6657 1.6657 1.7445 1.7445 2.0409 2.0409 2.1076 2.1076 2.5160 2.5160 2.5450 2.5450 2.7323 2.7323 2.7845 2.7845 6.4062 6.4062 6.5296 6.5296 8.1535 8.1535 8.2098 8.2098 9.3189 9.3189 k = 0.3649 0.5000-0.0000 ( 7484 PWs) bands (ev): -8.0229 -8.0229 -8.0168 -8.0168 -8.0058 -8.0058 -8.0055 -8.0055 -3.3317 -3.3317 -3.2990 -3.2990 -3.2516 -3.2516 -3.1550 -3.1550 -1.9347 -1.9347 -1.6853 -1.6853 -1.6587 -1.6587 -1.6264 -1.6264 -1.4546 -1.4546 -1.4049 -1.4049 -0.8946 -0.8946 -0.7051 -0.7051 1.0046 1.0046 1.0498 1.0498 1.6683 1.6683 1.7538 1.7538 2.0283 2.0283 2.1010 2.1010 2.4830 2.4830 2.5235 2.5235 2.6951 2.6951 2.7617 2.7617 6.4034 6.4034 6.5150 6.5150 8.1009 8.1009 8.1535 8.1535 9.3425 9.3425 k = 0.3784 0.5000-0.0000 ( 7478 PWs) bands (ev): -8.0168 -8.0168 -8.0111 -8.0111 -8.0022 -8.0022 -8.0020 -8.0020 -3.3258 -3.3258 -3.2902 -3.2902 -3.2530 -3.2530 -3.1575 -3.1575 -1.9247 -1.9247 -1.6838 -1.6838 -1.6598 -1.6598 -1.6307 -1.6307 -1.4580 -1.4580 -1.4069 -1.4069 -0.8925 -0.8925 -0.7099 -0.7099 0.9909 0.9909 1.0408 1.0408 1.6729 1.6729 1.7645 1.7645 2.0144 2.0144 2.0924 2.0924 2.4521 2.4521 2.5014 2.5014 2.6642 2.6642 2.7410 2.7410 6.4003 6.4003 6.5001 6.5001 8.0527 8.0527 8.1012 8.1012 9.3671 9.3671 k = 0.3919 0.5000-0.0000 ( 7494 PWs) bands (ev): -8.0111 -8.0111 -8.0060 -8.0060 -7.9990 -7.9990 -7.9988 -7.9988 -3.3202 -3.3202 -3.2824 -3.2824 -3.2535 -3.2535 -3.1605 -3.1605 -1.9135 -1.9135 -1.6850 -1.6850 -1.6606 -1.6606 -1.6352 -1.6352 -1.4602 -1.4602 -1.4092 -1.4092 -0.8895 -0.8895 -0.7169 -0.7169 0.9807 0.9807 1.0329 1.0329 1.6796 1.6796 1.7764 1.7764 1.9988 1.9988 2.0815 2.0815 2.4238 2.4238 2.4781 2.4781 2.6404 2.6404 2.7223 2.7223 6.3972 6.3972 6.4854 6.4854 8.0092 8.0092 8.0533 8.0533 9.3920 9.3920 k = 0.4054 0.5000-0.0000 ( 7488 PWs) bands (ev): -8.0060 -8.0060 -8.0014 -8.0014 -7.9960 -7.9960 -7.9958 -7.9958 -3.3148 -3.3148 -3.2765 -3.2765 -3.2522 -3.2522 -3.1640 -3.1640 -1.9011 -1.9011 -1.6893 -1.6893 -1.6611 -1.6611 -1.6395 -1.6395 -1.4610 -1.4610 -1.4119 -1.4119 -0.8852 -0.8852 -0.7259 -0.7259 0.9737 0.9737 1.0261 1.0261 1.6884 1.6884 1.7896 1.7896 1.9814 1.9814 2.0682 2.0682 2.3988 2.3988 2.4538 2.4538 2.6238 2.6238 2.7055 2.7055 6.3943 6.3943 6.4711 6.4711 7.9707 7.9707 8.0100 8.0100 9.4169 9.4169 k = 0.4189 0.5000-0.0000 ( 7502 PWs) bands (ev): -8.0014 -8.0014 -7.9975 -7.9975 -7.9933 -7.9933 -7.9932 -7.9932 -3.3097 -3.3097 -3.2736 -3.2736 -3.2481 -3.2481 -3.1679 -3.1679 -1.8876 -1.8876 -1.6968 -1.6968 -1.6614 -1.6614 -1.6433 -1.6433 -1.4605 -1.4605 -1.4149 -1.4149 -0.8797 -0.8797 -0.7367 -0.7367 0.9698 0.9698 1.0200 1.0200 1.6994 1.6994 1.8038 1.8038 1.9621 1.9621 2.0525 2.0525 2.3776 2.3776 2.4296 2.4296 2.6135 2.6135 2.6903 2.6903 6.3920 6.3920 6.4575 6.4575 7.9374 7.9374 7.9716 7.9716 9.4410 9.4410 k = 0.4324 0.5000-0.0000 ( 7514 PWs) bands (ev): -7.9975 -7.9975 -7.9943 -7.9943 -7.9909 -7.9909 -7.9908 -7.9908 -3.3049 -3.3049 -3.2733 -3.2733 -3.2416 -3.2416 -3.1724 -3.1724 -1.8730 -1.8730 -1.7073 -1.7073 -1.6613 -1.6613 -1.6466 -1.6466 -1.4587 -1.4587 -1.4182 -1.4182 -0.8727 -0.8727 -0.7488 -0.7488 0.9685 0.9685 1.0144 1.0144 1.7127 1.7127 1.8192 1.8192 1.9411 1.9411 2.0345 2.0345 2.3605 2.3605 2.4067 2.4067 2.6083 2.6083 2.6766 2.6766 6.3905 6.3905 6.4448 6.4448 7.9093 7.9093 7.9382 7.9382 9.4640 9.4640 k = 0.4459 0.5000-0.0000 ( 7510 PWs) bands (ev): -7.9943 -7.9943 -7.9918 -7.9918 -7.9889 -7.9889 -7.9887 -7.9887 -3.3004 -3.3004 -3.2746 -3.2746 -3.2339 -3.2339 -3.1774 -3.1774 -1.8573 -1.8573 -1.7204 -1.7204 -1.6610 -1.6610 -1.6494 -1.6494 -1.4559 -1.4559 -1.4219 -1.4219 -0.8643 -0.8643 -0.7621 -0.7621 0.9695 0.9695 1.0089 1.0089 1.7284 1.7284 1.8351 1.8351 1.9191 1.9191 2.0144 2.0144 2.3477 2.3477 2.3863 2.3863 2.6070 2.6070 2.6641 2.6641 6.3899 6.3899 6.4332 6.4332 7.8867 7.8867 7.9101 7.9101 9.4854 9.4854 k = 0.4595 0.5000-0.0000 ( 7494 PWs) bands (ev): -7.9917 -7.9917 -7.9900 -7.9900 -7.9873 -7.9873 -7.9869 -7.9869 -3.2962 -3.2962 -3.2766 -3.2766 -3.2259 -3.2259 -3.1829 -3.1829 -1.8408 -1.8408 -1.7356 -1.7356 -1.6604 -1.6604 -1.6518 -1.6518 -1.4522 -1.4522 -1.4258 -1.4258 -0.8545 -0.8545 -0.7760 -0.7760 0.9723 0.9723 1.0035 1.0035 1.7463 1.7463 1.8495 1.8495 1.8987 1.8987 1.9929 1.9929 2.3391 2.3391 2.3689 2.3689 2.6086 2.6086 2.6528 2.6528 6.3905 6.3905 6.4229 6.4229 7.8697 7.8697 7.8874 7.8874 9.5048 9.5048 k = 0.4730 0.5000-0.0000 ( 7496 PWs) bands (ev): -7.9899 -7.9899 -7.9889 -7.9889 -7.9860 -7.9860 -7.9856 -7.9856 -3.2922 -3.2922 -3.2791 -3.2791 -3.2179 -3.2179 -3.1890 -3.1890 -1.8235 -1.8235 -1.7522 -1.7522 -1.6596 -1.6596 -1.6538 -1.6538 -1.4481 -1.4481 -1.4300 -1.4300 -0.8435 -0.8435 -0.7902 -0.7902 0.9764 0.9764 0.9980 0.9980 1.7662 1.7662 1.8513 1.8513 1.8917 1.8917 1.9704 1.9704 2.3347 2.3347 2.3548 2.3548 2.6125 2.6125 2.6425 2.6425 6.3924 6.3924 6.4139 6.4139 7.8584 7.8584 7.8703 7.8703 9.5218 9.5218 k = 0.4865 0.5000-0.0000 ( 7512 PWs) bands (ev): -7.9887 -7.9887 -7.9883 -7.9883 -7.9851 -7.9851 -7.9849 -7.9849 -3.2885 -3.2885 -3.2820 -3.2820 -3.2101 -3.2101 -3.1956 -3.1956 -1.8057 -1.8057 -1.7697 -1.7697 -1.6585 -1.6585 -1.6556 -1.6556 -1.4436 -1.4436 -1.4344 -1.4344 -0.8313 -0.8313 -0.8044 -0.8044 0.9814 0.9814 0.9924 0.9924 1.7879 1.7879 1.8336 1.8336 1.9054 1.9054 1.9477 1.9477 2.3342 2.3342 2.3443 2.3443 2.6181 2.6181 2.6333 2.6333 6.3956 6.3956 6.4064 6.4064 7.8528 7.8528 7.8587 7.8587 9.5360 9.5360 k = 0.5000 0.5000-0.0000 ( 7512 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2851 -3.2851 -3.2851 -3.2851 -3.2026 -3.2026 -3.2026 -3.2026 -1.7877 -1.7877 -1.7877 -1.7877 -1.6572 -1.6572 -1.6572 -1.6572 -1.4390 -1.4390 -1.4390 -1.4390 -0.8182 -0.8182 -0.8182 -0.8182 0.9868 0.9868 0.9868 0.9868 1.8108 1.8108 1.8108 1.8108 1.9256 1.9256 1.9256 1.9256 2.3374 2.3374 2.3374 2.3374 2.6251 2.6251 2.6251 2.6251 6.4003 6.4003 6.4003 6.4003 7.8529 7.8529 7.8529 7.8529 9.5473 9.5473 k = 0.5000 0.5000-0.0000 ( 7512 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2851 -3.2851 -3.2851 -3.2851 -3.2026 -3.2026 -3.2026 -3.2026 -1.7877 -1.7877 -1.7877 -1.7877 -1.6572 -1.6572 -1.6572 -1.6572 -1.4390 -1.4390 -1.4390 -1.4390 -0.8182 -0.8182 -0.8182 -0.8182 0.9868 0.9868 0.9868 0.9868 1.8108 1.8108 1.8108 1.8108 1.9256 1.9256 1.9256 1.9256 2.3374 2.3374 2.3374 2.3374 2.6251 2.6251 2.6251 2.6251 6.4003 6.4003 6.4003 6.4003 7.8529 7.8529 7.8529 7.8529 9.5473 9.5473 k = 0.4902 0.4902-0.0000 ( 7512 PWs) bands (ev): -7.9888 -7.9888 -7.9883 -7.9883 -7.9852 -7.9852 -7.9848 -7.9848 -3.2886 -3.2886 -3.2819 -3.2819 -3.2103 -3.2103 -3.1954 -3.1954 -1.8062 -1.8062 -1.7693 -1.7693 -1.6585 -1.6585 -1.6556 -1.6556 -1.4437 -1.4437 -1.4343 -1.4343 -0.8316 -0.8316 -0.8040 -0.8040 0.9811 0.9811 0.9927 0.9927 1.7871 1.7871 1.8345 1.8345 1.9048 1.9048 1.9483 1.9483 2.3340 2.3340 2.3447 2.3447 2.6178 2.6178 2.6336 2.6336 6.3953 6.3953 6.4068 6.4068 7.8527 7.8527 7.8591 7.8591 9.5354 9.5354 k = 0.4804 0.4804-0.0000 ( 7492 PWs) bands (ev): -7.9903 -7.9903 -7.9888 -7.9888 -7.9866 -7.9866 -7.9849 -7.9849 -3.2924 -3.2924 -3.2790 -3.2790 -3.2182 -3.2182 -3.1887 -3.1887 -1.8243 -1.8243 -1.7516 -1.7516 -1.6594 -1.6594 -1.6538 -1.6538 -1.4484 -1.4484 -1.4298 -1.4298 -0.8444 -0.8444 -0.7891 -0.7891 0.9754 0.9754 0.9991 0.9991 1.7632 1.7632 1.8572 1.8572 1.8885 1.8885 1.9712 1.9712 2.3339 2.3339 2.3564 2.3564 2.6111 2.6111 2.6441 2.6441 6.3907 6.3907 6.4159 6.4159 7.8580 7.8580 7.8719 7.8719 9.5187 9.5187 k = 0.4706 0.4706-0.0000 ( 7492 PWs) bands (ev): -7.9930 -7.9930 -7.9901 -7.9901 -7.9884 -7.9884 -7.9850 -7.9850 -3.2963 -3.2963 -3.2766 -3.2766 -3.2264 -3.2264 -3.1826 -3.1826 -1.8418 -1.8418 -1.7357 -1.7357 -1.6595 -1.6595 -1.6513 -1.6513 -1.4528 -1.4528 -1.4254 -1.4254 -0.8562 -0.8562 -0.7736 -0.7736 0.9694 0.9694 1.0063 1.0063 1.7391 1.7391 1.8642 1.8642 1.8921 1.8921 1.9932 1.9932 2.3365 2.3365 2.3731 2.3731 2.6048 2.6048 2.6570 2.6570 6.3855 6.3855 6.4286 6.4286 7.8682 7.8682 7.8917 7.8917 9.4966 9.4966 k = 0.4608 0.4608-0.0000 ( 7514 PWs) bands (ev): -7.9971 -7.9971 -7.9923 -7.9923 -7.9904 -7.9904 -7.9849 -7.9849 -3.3005 -3.3005 -3.2748 -3.2748 -3.2345 -3.2345 -3.1772 -3.1772 -1.8585 -1.8585 -1.7228 -1.7228 -1.6592 -1.6592 -1.6470 -1.6470 -1.4570 -1.4570 -1.4213 -1.4213 -0.8671 -0.8671 -0.7574 -0.7574 0.9632 0.9632 1.0147 1.0147 1.7149 1.7149 1.8554 1.8554 1.9159 1.9159 2.0134 2.0134 2.3416 2.3416 2.3947 2.3947 2.5990 2.5990 2.6729 2.6729 6.3794 6.3794 6.4449 6.4449 7.8830 7.8830 7.9186 7.9186 9.4691 9.4691 k = 0.4510 0.4510-0.0000 ( 7516 PWs) bands (ev): -8.0026 -8.0026 -7.9952 -7.9952 -7.9927 -7.9927 -7.9847 -7.9847 -3.3050 -3.3050 -3.2739 -3.2739 -3.2421 -3.2421 -3.1725 -3.1725 -1.8742 -1.8742 -1.7141 -1.7141 -1.6593 -1.6593 -1.6393 -1.6393 -1.4609 -1.4609 -1.4176 -1.4176 -0.8769 -0.8769 -0.7406 -0.7406 0.9569 0.9569 1.0244 1.0244 1.6910 1.6910 1.8478 1.8478 1.9422 1.9422 2.0321 2.0321 2.3490 2.3490 2.4205 2.4205 2.5942 2.5942 2.6921 2.6921 6.3720 6.3720 6.4648 6.4648 7.9023 7.9023 7.9527 7.9527 9.4368 9.4368 k = 0.4412 0.4412-0.0000 ( 7518 PWs) bands (ev): -8.0095 -8.0095 -7.9988 -7.9988 -7.9954 -7.9954 -7.9843 -7.9843 -3.3096 -3.3096 -3.2746 -3.2746 -3.2487 -3.2487 -3.1685 -3.1685 -1.8888 -1.8888 -1.7097 -1.7097 -1.6602 -1.6602 -1.6279 -1.6279 -1.4643 -1.4643 -1.4143 -1.4143 -0.8854 -0.8854 -0.7231 -0.7231 0.9509 0.9509 1.0355 1.0355 1.6679 1.6679 1.8427 1.8427 1.9681 1.9681 2.0501 2.0501 2.3584 2.3584 2.4484 2.4484 2.5923 2.5923 2.7147 2.7147 6.3634 6.3634 6.4881 6.4881 7.9259 7.9259 7.9936 7.9936 9.4007 9.4007 k = 0.4314 0.4314-0.0000 ( 7506 PWs) bands (ev): -8.0176 -8.0176 -8.0029 -8.0029 -7.9985 -7.9985 -7.9839 -7.9839 -3.3145 -3.3145 -3.2775 -3.2775 -3.2533 -3.2533 -3.1653 -3.1653 -1.9023 -1.9023 -1.7084 -1.7084 -1.6621 -1.6621 -1.6142 -1.6142 -1.4672 -1.4672 -1.4113 -1.4113 -0.8924 -0.8924 -0.7051 -0.7051 0.9454 0.9454 1.0481 1.0481 1.6461 1.6461 1.8398 1.8398 1.9917 1.9917 2.0694 2.0694 2.3698 2.3698 2.4739 2.4739 2.5972 2.5972 2.7410 2.7410 6.3535 6.3535 6.5144 6.5144 7.9538 7.9538 8.0412 8.0412 9.3619 9.3619 k = 0.4216 0.4216-0.0000 ( 7494 PWs) bands (ev): -8.0268 -8.0268 -8.0076 -8.0076 -8.0021 -8.0021 -7.9833 -7.9833 -3.3198 -3.3198 -3.2827 -3.2827 -3.2559 -3.2559 -3.1628 -3.1628 -1.9145 -1.9145 -1.7091 -1.7091 -1.6649 -1.6649 -1.5998 -1.5998 -1.4696 -1.4696 -1.4089 -1.4089 -0.8977 -0.8977 -0.6864 -0.6864 0.9409 0.9409 1.0621 1.0621 1.6260 1.6260 1.8385 1.8385 2.0115 2.0115 2.0918 2.0918 2.3831 2.3831 2.4907 2.4907 2.6145 2.6145 2.7709 2.7709 6.3424 6.3424 6.5431 6.5431 7.9858 7.9858 8.0951 8.0951 9.3216 9.3216 k = 0.4118 0.4118-0.0000 ( 7492 PWs) bands (ev): -8.0372 -8.0372 -8.0129 -8.0129 -8.0062 -8.0062 -7.9827 -7.9827 -3.3254 -3.3254 -3.2892 -3.2892 -3.2572 -3.2572 -3.1611 -3.1611 -1.9255 -1.9255 -1.7109 -1.7109 -1.6686 -1.6686 -1.5856 -1.5856 -1.4716 -1.4716 -1.4069 -1.4069 -0.9010 -0.9010 -0.6671 -0.6671 0.9376 0.9376 1.0775 1.0775 1.6080 1.6080 1.8384 1.8384 2.0275 2.0275 2.1181 2.1181 2.3983 2.3983 2.4964 2.4964 2.6460 2.6460 2.8046 2.8046 6.3302 6.3302 6.5738 6.5738 8.0219 8.0219 8.1548 8.1548 9.2810 9.2810 k = 0.4020 0.4020-0.0000 ( 7504 PWs) bands (ev): -8.0486 -8.0486 -8.0188 -8.0188 -8.0107 -8.0107 -7.9821 -7.9821 -3.3315 -3.3315 -3.2962 -3.2962 -3.2581 -3.2581 -3.1601 -3.1601 -1.9353 -1.9353 -1.7134 -1.7134 -1.6730 -1.6730 -1.5725 -1.5725 -1.4732 -1.4732 -1.4055 -1.4055 -0.9020 -0.9020 -0.6473 -0.6473 0.9359 0.9359 1.0941 1.0941 1.5922 1.5922 1.8389 1.8389 2.0409 2.0409 2.1472 2.1472 2.4154 2.4154 2.4951 2.4951 2.6871 2.6871 2.8418 2.8418 6.3170 6.3170 6.6058 6.6058 8.0618 8.0618 8.2200 8.2200 9.2410 9.2410 k = 0.3922 0.3922-0.0000 ( 7492 PWs) bands (ev): -8.0611 -8.0611 -8.0251 -8.0251 -8.0156 -8.0156 -7.9813 -7.9813 -3.3382 -3.3382 -3.3030 -3.3030 -3.2591 -3.2591 -3.1597 -3.1597 -1.9440 -1.9440 -1.7164 -1.7164 -1.6782 -1.6782 -1.5609 -1.5609 -1.4745 -1.4745 -1.4049 -1.4049 -0.9005 -0.9005 -0.6269 -0.6269 0.9361 0.9361 1.1120 1.1120 1.5791 1.5791 1.8398 1.8398 2.0534 2.0534 2.1777 2.1777 2.4339 2.4339 2.4911 2.4911 2.7335 2.7335 2.8826 2.8826 6.3030 6.3030 6.6384 6.6384 8.1054 8.1054 8.2901 8.2901 9.2028 9.2028 k = 0.3824 0.3824-0.0000 ( 7494 PWs) bands (ev): -8.0744 -8.0744 -8.0319 -8.0319 -8.0210 -8.0210 -7.9805 -7.9805 -3.3454 -3.3454 -3.3094 -3.3094 -3.2604 -3.2604 -3.1600 -3.1600 -1.9515 -1.9515 -1.7196 -1.7196 -1.6840 -1.6840 -1.5511 -1.5511 -1.4755 -1.4755 -1.4051 -1.4051 -0.8962 -0.8962 -0.6061 -0.6061 0.9384 0.9384 1.1309 1.1309 1.5686 1.5686 1.8409 1.8409 2.0664 2.0664 2.2084 2.2084 2.4532 2.4532 2.4881 2.4881 2.7823 2.7823 2.9266 2.9266 6.2882 6.2882 6.6710 6.6710 8.1526 8.1526 8.3645 8.3645 9.1672 9.1672 k = 0.3725 0.3725-0.0000 ( 7494 PWs) bands (ev): -8.0887 -8.0887 -8.0392 -8.0392 -8.0267 -8.0267 -7.9796 -7.9796 -3.3530 -3.3530 -3.3152 -3.3152 -3.2621 -3.2621 -3.1608 -3.1608 -1.9579 -1.9579 -1.7230 -1.7230 -1.6903 -1.6903 -1.5431 -1.5431 -1.4762 -1.4762 -1.4063 -1.4063 -0.8891 -0.8891 -0.5849 -0.5849 0.9431 0.9431 1.1507 1.1507 1.5611 1.5611 1.8421 1.8421 2.0805 2.0805 2.2380 2.2380 2.4688 2.4688 2.4922 2.4922 2.8321 2.8321 2.9735 2.9735 6.2730 6.2730 6.7029 6.7029 8.2028 8.2028 8.4423 8.4423 9.1352 9.1352 k = 0.3627 0.3627-0.0000 ( 7502 PWs) bands (ev): -8.1037 -8.1037 -8.0469 -8.0469 -8.0329 -8.0329 -7.9787 -7.9787 -3.3610 -3.3610 -3.3205 -3.3205 -3.2644 -3.2644 -3.1622 -3.1622 -1.9634 -1.9634 -1.7267 -1.7267 -1.6970 -1.6970 -1.5370 -1.5370 -1.4768 -1.4768 -1.4087 -1.4087 -0.8789 -0.8789 -0.5635 -0.5635 0.9502 0.9502 1.1712 1.1712 1.5566 1.5566 1.8435 1.8435 2.0962 2.0962 2.2652 2.2652 2.4751 2.4751 2.5106 2.5106 2.8820 2.8820 3.0227 3.0227 6.2575 6.2575 6.7335 6.7335 8.2559 8.2559 8.5229 8.5229 9.1077 9.1077 k = 0.3529 0.3529-0.0000 ( 7496 PWs) bands (ev): -8.1195 -8.1195 -8.0550 -8.0550 -8.0394 -8.0394 -7.9778 -7.9778 -3.3693 -3.3693 -3.3253 -3.3253 -3.2673 -3.2673 -3.1640 -3.1640 -1.9680 -1.9680 -1.7305 -1.7305 -1.7040 -1.7040 -1.5327 -1.5327 -1.4771 -1.4771 -1.4123 -1.4123 -0.8658 -0.8658 -0.5419 -0.5419 0.9600 0.9600 1.1923 1.1923 1.5552 1.5552 1.8455 1.8455 2.1137 2.1137 2.2889 2.2889 2.4811 2.4811 2.5360 2.5360 2.9315 2.9315 3.0736 3.0736 6.2420 6.2420 6.7619 6.7619 8.3113 8.3113 8.6052 8.6052 9.0856 9.0856 k = 0.3431 0.3431-0.0000 ( 7496 PWs) bands (ev): -8.1360 -8.1360 -8.0635 -8.0635 -8.0462 -8.0462 -7.9768 -7.9768 -3.3777 -3.3777 -3.3296 -3.3296 -3.2707 -3.2707 -3.1662 -3.1662 -1.9717 -1.9717 -1.7346 -1.7346 -1.7111 -1.7111 -1.5301 -1.5301 -1.4772 -1.4772 -1.4173 -1.4173 -0.8498 -0.8498 -0.5203 -0.5203 0.9723 0.9723 1.2138 1.2138 1.5572 1.5572 1.8482 1.8482 2.1328 2.1328 2.3078 2.3078 2.4922 2.4922 2.5643 2.5643 2.9803 2.9803 3.1254 3.1254 6.2267 6.2267 6.7877 6.7877 8.3684 8.3684 8.6878 8.6878 9.0700 9.0700 k = 0.3333 0.3333-0.0000 ( 7494 PWs) bands (ev): -8.1530 -8.1530 -8.0723 -8.0723 -8.0533 -8.0533 -7.9757 -7.9757 -3.3861 -3.3861 -3.3336 -3.3336 -3.2748 -3.2748 -3.1687 -3.1687 -1.9748 -1.9748 -1.7389 -1.7389 -1.7183 -1.7183 -1.5290 -1.5290 -1.4771 -1.4771 -1.4237 -1.4237 -0.8310 -0.8310 -0.4988 -0.4988 0.9874 0.9874 1.2355 1.2355 1.5625 1.5625 1.8522 1.8522 2.1536 2.1536 2.3218 2.3218 2.5095 2.5095 2.5948 2.5948 3.0282 3.0282 3.1774 3.1774 6.2119 6.2119 6.8102 6.8102 8.4264 8.4264 8.7693 8.7693 9.0621 9.0621 k = 0.3235 0.3235-0.0000 ( 7498 PWs) bands (ev): -8.1706 -8.1706 -8.0814 -8.0814 -8.0608 -8.0608 -7.9747 -7.9747 -3.3945 -3.3945 -3.3373 -3.3373 -3.2795 -3.2795 -3.1716 -3.1716 -1.9772 -1.9772 -1.7435 -1.7435 -1.7255 -1.7255 -1.5291 -1.5291 -1.4767 -1.4767 -1.4312 -1.4312 -0.8098 -0.8098 -0.4776 -0.4776 1.0051 1.0051 1.2574 1.2574 1.5711 1.5711 1.8576 1.8576 2.1756 2.1756 2.3319 2.3319 2.5326 2.5326 2.6271 2.6271 3.0751 3.0751 3.2286 3.2286 6.1980 6.1980 6.8287 6.8287 8.4846 8.4846 8.8472 8.8472 9.0636 9.0636 k = 0.3137 0.3137-0.0000 ( 7502 PWs) bands (ev): -8.1887 -8.1887 -8.0908 -8.0908 -8.0685 -8.0685 -7.9736 -7.9736 -3.4026 -3.4026 -3.3407 -3.3407 -3.2847 -3.2847 -3.1747 -3.1747 -1.9792 -1.9792 -1.7484 -1.7484 -1.7324 -1.7324 -1.5303 -1.5303 -1.4763 -1.4763 -1.4397 -1.4397 -0.7863 -0.7863 -0.4568 -0.4568 1.0255 1.0255 1.2794 1.2794 1.5832 1.5832 1.8648 1.8648 2.1986 2.1986 2.3397 2.3397 2.5603 2.5603 2.6612 2.6612 3.1209 3.1209 3.2785 3.2785 6.1851 6.1851 6.8427 6.8427 8.5418 8.5418 8.9187 8.9187 9.0768 9.0768 k = 0.3039 0.3039-0.0000 ( 7514 PWs) bands (ev): -8.2071 -8.2071 -8.1004 -8.1004 -8.0765 -8.0765 -7.9724 -7.9724 -3.4106 -3.4106 -3.3438 -3.3438 -3.2905 -3.2905 -3.1780 -3.1780 -1.9807 -1.9807 -1.7539 -1.7539 -1.7391 -1.7391 -1.5324 -1.5324 -1.4761 -1.4761 -1.4490 -1.4490 -0.7607 -0.7607 -0.4365 -0.4365 1.0484 1.0484 1.3015 1.3015 1.5984 1.5984 1.8740 1.8740 2.2223 2.2223 2.3471 2.3471 2.5912 2.5912 2.6967 2.6967 3.1653 3.1653 3.3263 3.3263 6.1736 6.1736 6.8518 6.8518 8.5970 8.5970 8.9803 8.9803 9.1038 9.1038 k = 0.2941 0.2941-0.0000 ( 7534 PWs) bands (ev): -8.2258 -8.2258 -8.1102 -8.1102 -8.0846 -8.0846 -7.9713 -7.9713 -3.4184 -3.4184 -3.3467 -3.3467 -3.2967 -3.2967 -3.1815 -3.1815 -1.9819 -1.9819 -1.7598 -1.7598 -1.7455 -1.7455 -1.5350 -1.5350 -1.4766 -1.4766 -1.4582 -1.4582 -0.7334 -0.7334 -0.4170 -0.4170 1.0737 1.0737 1.3238 1.3238 1.6167 1.6167 1.8854 1.8854 2.2459 2.2459 2.3556 2.3556 2.6243 2.6243 2.7336 2.7336 3.2084 3.2084 3.3715 3.3715 6.1639 6.1639 6.8556 6.8556 8.6494 8.6494 9.0321 9.0321 9.1431 9.1431 k = 0.2843 0.2843-0.0000 ( 7526 PWs) bands (ev): -8.2447 -8.2447 -8.1201 -8.1201 -8.0930 -8.0930 -7.9702 -7.9702 -3.4258 -3.4258 -3.3493 -3.3493 -3.3034 -3.3034 -3.1852 -3.1852 -1.9829 -1.9829 -1.7662 -1.7662 -1.7515 -1.7515 -1.5383 -1.5383 -1.4797 -1.4797 -1.4654 -1.4654 -0.7046 -0.7046 -0.3982 -0.3982 1.1015 1.1015 1.3465 1.3465 1.6379 1.6379 1.8993 1.8993 2.2689 2.2689 2.3666 2.3666 2.6587 2.6587 2.7718 2.7718 3.2500 3.2500 3.4135 3.4135 6.1560 6.1560 6.8536 6.8536 8.6985 8.6985 9.0795 9.0795 9.1873 9.1873 k = 0.2745 0.2745-0.0000 ( 7526 PWs) bands (ev): -8.2638 -8.2638 -8.1301 -8.1301 -8.1015 -8.1015 -7.9690 -7.9690 -3.4330 -3.4330 -3.3518 -3.3518 -3.3105 -3.3105 -3.1891 -3.1891 -1.9837 -1.9837 -1.7730 -1.7730 -1.7572 -1.7572 -1.5421 -1.5421 -1.4871 -1.4871 -1.4682 -1.4682 -0.6745 -0.6745 -0.3804 -0.3804 1.1314 1.1314 1.3697 1.3697 1.6615 1.6615 1.9156 1.9156 2.2903 2.2903 2.3814 2.3814 2.6940 2.6940 2.8111 2.8111 3.2899 3.2899 3.4519 3.4519 6.1503 6.1503 6.8456 6.8456 8.7442 8.7442 9.1277 9.1277 9.2287 9.2287 k = 0.2647 0.2647-0.0000 ( 7510 PWs) bands (ev): -8.2829 -8.2829 -8.1402 -8.1402 -8.1101 -8.1101 -7.9678 -7.9678 -3.4399 -3.4399 -3.3540 -3.3540 -3.3178 -3.3178 -3.1932 -3.1932 -1.9844 -1.9844 -1.7800 -1.7800 -1.7627 -1.7627 -1.5467 -1.5467 -1.4966 -1.4966 -1.4688 -1.4688 -0.6433 -0.6433 -0.3635 -0.3635 1.1635 1.1635 1.3935 1.3935 1.6875 1.6875 1.9345 1.9345 2.3096 2.3096 2.4008 2.4008 2.7296 2.7296 2.8514 2.8514 3.3281 3.3281 3.4865 3.4865 6.1469 6.1469 6.8314 6.8314 8.7868 8.7868 9.1786 9.1786 9.2635 9.2635 k = 0.2549 0.2549-0.0000 ( 7530 PWs) bands (ev): -8.3020 -8.3020 -8.1504 -8.1504 -8.1188 -8.1188 -7.9667 -7.9667 -3.4465 -3.4465 -3.3561 -3.3561 -3.3253 -3.3253 -3.1974 -3.1974 -1.9850 -1.9850 -1.7873 -1.7873 -1.7681 -1.7681 -1.5525 -1.5525 -1.5060 -1.5060 -1.4686 -1.4686 -0.6113 -0.6113 -0.3476 -0.3476 1.1975 1.1975 1.4181 1.4181 1.7154 1.7154 1.9560 1.9560 2.3270 2.3270 2.4245 2.4245 2.7652 2.7652 2.8927 2.8927 3.3646 3.3646 3.5170 3.5170 6.1458 6.1458 6.8109 6.8109 8.8266 8.8266 9.2304 9.2304 9.2917 9.2917 k = 0.2451 0.2451-0.0000 ( 7530 PWs) bands (ev): -8.3211 -8.3211 -8.1605 -8.1605 -8.1276 -8.1276 -7.9655 -7.9655 -3.4527 -3.4527 -3.3580 -3.3580 -3.3330 -3.3330 -3.2018 -3.2018 -1.9857 -1.9857 -1.7947 -1.7947 -1.7732 -1.7732 -1.5598 -1.5598 -1.5141 -1.5141 -1.4682 -1.4682 -0.5787 -0.5787 -0.3326 -0.3326 1.2334 1.2334 1.4435 1.4435 1.7451 1.7451 1.9799 1.9799 2.3432 2.3432 2.4520 2.4520 2.8004 2.8004 2.9349 2.9349 3.3991 3.3991 3.5434 3.5434 6.1470 6.1470 6.7843 6.7843 8.8631 8.8631 9.2748 9.2748 9.3210 9.3210 k = 0.2353 0.2353-0.0000 ( 7522 PWs) bands (ev): -8.3400 -8.3400 -8.1706 -8.1706 -8.1363 -8.1363 -7.9644 -7.9644 -3.4586 -3.4586 -3.3599 -3.3599 -3.3405 -3.3405 -3.2063 -3.2063 -1.9863 -1.9863 -1.8022 -1.8022 -1.7783 -1.7783 -1.5689 -1.5689 -1.5204 -1.5204 -1.4677 -1.4677 -0.5458 -0.5458 -0.3183 -0.3183 1.2709 1.2709 1.4698 1.4698 1.7764 1.7764 2.0062 2.0062 2.3590 2.3590 2.4822 2.4822 2.8348 2.8348 2.9779 2.9779 3.4314 3.4314 3.5660 3.5660 6.1504 6.1504 6.7516 6.7516 8.8948 8.8948 9.2959 9.2959 9.3663 9.3663 k = 0.2255 0.2255-0.0000 ( 7526 PWs) bands (ev): -8.3587 -8.3587 -8.1806 -8.1806 -8.1451 -8.1451 -7.9632 -7.9632 -3.4641 -3.4641 -3.3621 -3.3621 -3.3477 -3.3477 -3.2109 -3.2109 -1.9871 -1.9871 -1.8098 -1.8098 -1.7832 -1.7832 -1.5795 -1.5795 -1.5250 -1.5250 -1.4672 -1.4672 -0.5129 -0.5129 -0.3046 -0.3046 1.3098 1.3098 1.4970 1.4970 1.8089 1.8089 2.0349 2.0349 2.3749 2.3749 2.5146 2.5146 2.8682 2.8682 3.0217 3.0217 3.4612 3.4612 3.5854 3.5854 6.1556 6.1556 6.7131 6.7131 8.9179 8.9179 9.3010 9.3010 9.4205 9.4205 k = 0.2157 0.2157-0.0000 ( 7536 PWs) bands (ev): -8.3771 -8.3771 -8.1905 -8.1905 -8.1539 -8.1539 -7.9621 -7.9621 -3.4693 -3.4693 -3.3653 -3.3653 -3.3537 -3.3537 -3.2156 -3.2156 -1.9880 -1.9880 -1.8174 -1.8174 -1.7880 -1.7880 -1.5913 -1.5913 -1.5282 -1.5282 -1.4668 -1.4668 -0.4806 -0.4806 -0.2911 -0.2911 1.3501 1.3501 1.5249 1.5249 1.8426 1.8426 2.0657 2.0657 2.3912 2.3912 2.5485 2.5485 2.9002 2.9002 3.0663 3.0663 3.4876 3.4876 3.6026 3.6026 6.1622 6.1622 6.6694 6.6694 8.9264 8.9264 9.3003 9.3003 9.4648 9.4648 k = 0.2059 0.2059-0.0000 ( 7530 PWs) bands (ev): -8.3951 -8.3951 -8.2002 -8.2002 -8.1625 -8.1625 -7.9610 -7.9610 -3.4741 -3.4741 -3.3705 -3.3705 -3.3576 -3.3576 -3.2205 -3.2205 -1.9889 -1.9889 -1.8249 -1.8249 -1.7925 -1.7925 -1.6038 -1.6038 -1.5303 -1.5303 -1.4663 -1.4663 -0.4494 -0.4494 -0.2772 -0.2772 1.3915 1.3915 1.5535 1.5535 1.8773 1.8773 2.0985 2.0985 2.4079 2.4079 2.5835 2.5835 2.9305 2.9305 3.1117 3.1117 3.5095 3.5095 3.6191 3.6191 6.1693 6.1693 6.6212 6.6212 8.9141 8.9141 9.2990 9.2990 9.4594 9.4594 k = 0.1961 0.1961-0.0000 ( 7530 PWs) bands (ev): -8.4128 -8.4128 -8.2097 -8.2097 -8.1710 -8.1710 -7.9599 -7.9599 -3.4785 -3.4785 -3.3772 -3.3772 -3.3596 -3.3596 -3.2254 -3.2254 -1.9900 -1.9900 -1.8325 -1.8325 -1.7969 -1.7969 -1.6166 -1.6166 -1.5316 -1.5316 -1.4658 -1.4658 -0.4202 -0.4202 -0.2621 -0.2621 1.4337 1.4337 1.5827 1.5827 1.9127 1.9127 2.1330 2.1330 2.4250 2.4250 2.6194 2.6194 2.9590 2.9590 3.1578 3.1578 3.5254 3.5254 3.6370 3.6370 6.1757 6.1757 6.5699 6.5699 8.8784 8.8784 9.2939 9.2939 9.4531 9.4531 k = 0.1863 0.1863-0.0000 ( 7534 PWs) bands (ev): -8.4299 -8.4299 -8.2190 -8.2190 -8.1794 -8.1794 -7.9589 -7.9589 -3.4827 -3.4827 -3.3845 -3.3845 -3.3607 -3.3607 -3.2303 -3.2303 -1.9912 -1.9912 -1.8399 -1.8399 -1.8011 -1.8011 -1.6296 -1.6296 -1.5323 -1.5323 -1.4653 -1.4653 -0.3939 -0.3939 -0.2450 -0.2450 1.4766 1.4766 1.6125 1.6125 1.9487 1.9487 2.1690 2.1690 2.4423 2.4423 2.6559 2.6559 2.9854 2.9854 3.2045 3.2045 3.5345 3.5345 3.6576 3.6576 6.1794 6.1794 6.5173 6.5173 8.8228 8.8228 9.2713 9.2713 9.4617 9.4617 k = 0.1765 0.1765-0.0000 ( 7516 PWs) bands (ev): -8.4466 -8.4466 -8.2280 -8.2280 -8.1876 -8.1876 -7.9579 -7.9579 -3.4864 -3.4864 -3.3921 -3.3921 -3.3613 -3.3613 -3.2353 -3.2353 -1.9925 -1.9925 -1.8473 -1.8473 -1.8051 -1.8051 -1.6424 -1.6424 -1.5326 -1.5326 -1.4648 -1.4648 -0.3715 -0.3715 -0.2250 -0.2250 1.5197 1.5197 1.6427 1.6427 1.9850 1.9850 2.2062 2.2062 2.4597 2.4597 2.6927 2.6927 3.0098 3.0098 3.2519 3.2519 3.5371 3.5371 3.6812 3.6812 6.1768 6.1768 6.4671 6.4671 8.7535 8.7535 9.2222 9.2222 9.4884 9.4884 k = 0.1667 0.1667-0.0000 ( 7516 PWs) bands (ev): -8.4626 -8.4626 -8.2368 -8.2368 -8.1955 -8.1955 -7.9569 -7.9569 -3.4898 -3.4898 -3.3996 -3.3996 -3.3615 -3.3615 -3.2403 -3.2403 -1.9939 -1.9939 -1.8544 -1.8544 -1.8088 -1.8088 -1.6549 -1.6549 -1.5325 -1.5325 -1.4643 -1.4643 -0.3536 -0.3536 -0.2015 -0.2015 1.5626 1.5626 1.6736 1.6736 2.0214 2.0214 2.2440 2.2440 2.4771 2.4771 2.7294 2.7294 3.0321 3.0321 3.2996 3.2996 3.5345 3.5345 3.7072 3.7072 6.1627 6.1627 6.4246 6.4246 8.6760 8.6760 9.1505 9.1505 9.5262 9.5262 k = 0.1569 0.1569-0.0000 ( 7524 PWs) bands (ev): -8.4780 -8.4780 -8.2452 -8.2452 -8.2032 -8.2032 -7.9560 -7.9560 -3.4928 -3.4928 -3.4071 -3.4071 -3.3616 -3.3616 -3.2453 -3.2453 -1.9954 -1.9954 -1.8613 -1.8613 -1.8124 -1.8124 -1.6671 -1.6671 -1.5322 -1.5322 -1.4638 -1.4638 -0.3398 -0.3398 -0.1749 -0.1749 1.6047 1.6047 1.7051 1.7051 2.0576 2.0576 2.2820 2.2820 2.4945 2.4945 2.7657 2.7657 3.0524 3.0524 3.3476 3.3476 3.5284 3.5284 3.7349 3.7349 6.1314 6.1314 6.3955 6.3955 8.5944 8.5944 9.0645 9.0645 9.5682 9.5682 k = 0.1471 0.1471-0.0000 ( 7528 PWs) bands (ev): -8.4928 -8.4928 -8.2533 -8.2533 -8.2106 -8.2106 -7.9551 -7.9551 -3.4955 -3.4955 -3.4143 -3.4143 -3.3614 -3.3614 -3.2502 -3.2502 -1.9970 -1.9970 -1.8680 -1.8680 -1.8158 -1.8158 -1.6789 -1.6789 -1.5317 -1.5317 -1.4633 -1.4633 -0.3297 -0.3297 -0.1458 -0.1458 1.6455 1.6455 1.7377 1.7377 2.0934 2.0934 2.3193 2.3193 2.5121 2.5121 2.8013 2.8013 3.0707 3.0707 3.3951 3.3951 3.5204 3.5204 3.7636 3.7636 6.0817 6.0817 6.3812 6.3812 8.5115 8.5115 8.9706 8.9706 9.6098 9.6098 k = 0.1373 0.1373-0.0000 ( 7532 PWs) bands (ev): -8.5068 -8.5068 -8.2610 -8.2610 -8.2177 -8.2177 -7.9542 -7.9542 -3.4978 -3.4978 -3.4214 -3.4214 -3.3611 -3.3611 -3.2551 -3.2551 -1.9987 -1.9987 -1.8744 -1.8744 -1.8190 -1.8190 -1.6902 -1.6902 -1.5310 -1.5310 -1.4628 -1.4628 -0.3223 -0.3223 -0.1152 -0.1152 1.6840 1.6840 1.7716 1.7716 2.1286 2.1286 2.3547 2.3547 2.5304 2.5304 2.8357 2.8357 3.0870 3.0870 3.4399 3.4399 3.5141 3.5141 3.7929 3.7929 6.0176 6.0176 6.3780 6.3780 8.4293 8.4293 8.8734 8.8734 9.6490 9.6490 k = 0.1275 0.1275-0.0000 ( 7534 PWs) bands (ev): -8.5200 -8.5200 -8.2682 -8.2682 -8.2245 -8.2245 -7.9534 -7.9534 -3.4998 -3.4998 -3.4283 -3.4283 -3.3605 -3.3605 -3.2599 -3.2599 -2.0004 -2.0004 -1.8805 -1.8805 -1.8220 -1.8220 -1.7008 -1.7008 -1.5303 -1.5303 -1.4623 -1.4623 -0.3170 -0.3170 -0.0839 -0.0839 1.7196 1.7196 1.8073 1.8073 2.1629 2.1629 2.3870 2.3870 2.5501 2.5501 2.8685 2.8685 3.1015 3.1015 3.4694 3.4694 3.5226 3.5226 3.8227 3.8227 5.9440 5.9440 6.3810 6.3810 8.3494 8.3494 8.7762 8.7762 9.6848 9.6848 k = 0.1176 0.1176-0.0000 ( 7542 PWs) bands (ev): -8.5324 -8.5324 -8.2751 -8.2751 -8.2309 -8.2309 -7.9527 -7.9527 -3.5014 -3.5014 -3.4349 -3.4349 -3.3599 -3.3599 -3.2645 -3.2645 -2.0021 -2.0021 -1.8861 -1.8861 -1.8248 -1.8248 -1.7109 -1.7109 -1.5295 -1.5295 -1.4618 -1.4618 -0.3132 -0.3132 -0.0527 -0.0527 1.7518 1.7518 1.8446 1.8446 2.1960 2.1960 2.4146 2.4146 2.5722 2.5722 2.8993 2.8993 3.1139 3.1139 3.4707 3.4707 3.5600 3.5600 3.8527 3.8527 5.8647 5.8647 6.3870 6.3870 8.2727 8.2727 8.6810 8.6810 9.7168 9.7168 k = 0.1078 0.1078-0.0000 ( 7544 PWs) bands (ev): -8.5440 -8.5440 -8.2815 -8.2815 -8.2368 -8.2368 -7.9520 -7.9520 -3.5027 -3.5027 -3.4413 -3.4413 -3.3591 -3.3591 -3.2690 -3.2690 -2.0038 -2.0038 -1.8914 -1.8914 -1.8274 -1.8274 -1.7203 -1.7203 -1.5286 -1.5286 -1.4613 -1.4613 -0.3105 -0.3105 -0.0219 -0.0219 1.7808 1.7808 1.8830 1.8830 2.2277 2.2277 2.4362 2.4362 2.5975 2.5975 2.9277 2.9277 3.1241 3.1241 3.4632 3.4632 3.6071 3.6071 3.8828 3.8828 5.7819 5.7819 6.3943 6.3943 8.2000 8.2000 8.5893 8.5893 9.7449 9.7449 k = 0.0980 0.0980-0.0000 ( 7528 PWs) bands (ev): -8.5546 -8.5546 -8.2873 -8.2873 -8.2424 -8.2424 -7.9514 -7.9514 -3.5036 -3.5036 -3.4474 -3.4474 -3.3582 -3.3582 -3.2734 -3.2734 -2.0055 -2.0055 -1.8963 -1.8963 -1.8298 -1.8298 -1.7289 -1.7289 -1.5278 -1.5278 -1.4608 -1.4608 -0.3087 -0.3087 0.0078 0.0078 1.8066 1.8066 1.9219 1.9219 2.2577 2.2577 2.4514 2.4514 2.6258 2.6258 2.9534 2.9534 3.1318 3.1318 3.4554 3.4554 3.6562 3.6562 3.9130 3.9130 5.6972 5.6972 6.4016 6.4016 8.1321 8.1321 8.5023 8.5023 9.7688 9.7688 k = 0.0882 0.0882-0.0000 ( 7530 PWs) bands (ev): -8.5644 -8.5644 -8.2927 -8.2927 -8.2474 -8.2474 -7.9508 -7.9508 -3.5041 -3.5041 -3.4532 -3.4532 -3.3572 -3.3572 -3.2775 -3.2775 -2.0072 -2.0072 -1.9007 -1.9007 -1.8320 -1.8320 -1.7368 -1.7368 -1.5269 -1.5269 -1.4603 -1.4603 -0.3074 -0.3074 0.0360 0.0360 1.8298 1.8298 1.9604 1.9604 2.2859 2.2859 2.4608 2.4608 2.6562 2.6562 2.9764 2.9764 3.1367 3.1367 3.4491 3.4491 3.7052 3.7052 3.9433 3.9433 5.6121 5.6121 6.4085 6.4085 8.0695 8.0695 8.4209 8.4209 9.7884 9.7884 k = 0.0784 0.0784-0.0000 ( 7525 PWs) bands (ev): -8.5732 -8.5732 -8.2976 -8.2976 -8.2521 -8.2521 -7.9502 -7.9502 -3.5044 -3.5044 -3.4586 -3.4586 -3.3562 -3.3562 -3.2814 -3.2814 -2.0088 -2.0088 -1.9047 -1.9047 -1.8340 -1.8340 -1.7439 -1.7439 -1.5261 -1.5261 -1.4599 -1.4599 -0.3066 -0.3066 0.0624 0.0624 1.8504 1.8504 1.9979 1.9979 2.3120 2.3120 2.4654 2.4654 2.6874 2.6874 2.9966 2.9966 3.1385 3.1385 3.4451 3.4451 3.7531 3.7531 3.9741 3.9741 5.5276 5.5276 6.4147 6.4147 8.0126 8.0126 8.3459 8.3459 9.8033 9.8033 k = 0.0686 0.0686-0.0000 ( 7535 PWs) bands (ev): -8.5810 -8.5810 -8.3020 -8.3020 -8.2562 -8.2562 -7.9498 -7.9498 -3.5042 -3.5042 -3.4638 -3.4638 -3.3551 -3.3551 -3.2850 -3.2850 -2.0103 -2.0103 -1.9082 -1.9082 -1.8358 -1.8358 -1.7502 -1.7502 -1.5254 -1.5254 -1.4595 -1.4595 -0.3062 -0.3062 0.0867 0.0867 1.8685 1.8685 2.0337 2.0337 2.3357 2.3357 2.4663 2.4663 2.7180 2.7180 3.0141 3.0141 3.1374 3.1374 3.4435 3.4435 3.7986 3.7986 4.0056 4.0056 5.4450 5.4450 6.4200 6.4200 7.9616 7.9616 8.2780 8.2780 9.8140 9.8140 k = 0.0588 0.0588-0.0000 ( 7539 PWs) bands (ev): -8.5878 -8.5878 -8.3058 -8.3058 -8.2598 -8.2598 -7.9494 -7.9494 -3.5038 -3.5038 -3.4687 -3.4687 -3.3540 -3.3540 -3.2883 -3.2883 -2.0117 -2.0117 -1.9113 -1.9113 -1.8374 -1.8374 -1.7557 -1.7557 -1.5248 -1.5248 -1.4591 -1.4591 -0.3059 -0.3059 0.1085 0.1085 1.8842 1.8842 2.0671 2.0671 2.3568 2.3568 2.4643 2.4643 2.7472 2.7472 3.0290 3.0290 3.1335 3.1335 3.4438 3.4438 3.8402 3.8402 4.0382 4.0382 5.3658 5.3658 6.4243 6.4243 7.9171 7.9171 8.2178 8.2178 9.8209 9.8209 k = 0.0490 0.0490-0.0000 ( 7523 PWs) bands (ev): -8.5936 -8.5936 -8.3090 -8.3090 -8.2628 -8.2628 -7.9490 -7.9490 -3.5030 -3.5030 -3.4731 -3.4731 -3.3530 -3.3530 -3.2912 -3.2912 -2.0129 -2.0129 -1.9138 -1.9138 -1.8388 -1.8388 -1.7603 -1.7603 -1.5242 -1.5242 -1.4588 -1.4588 -0.3058 -0.3058 0.1274 0.1274 1.8975 1.8975 2.0976 2.0976 2.3752 2.3752 2.4602 2.4602 2.7739 2.7739 3.0417 3.0417 3.1274 3.1274 3.4457 3.4457 3.8764 3.8764 4.0719 4.0719 5.2916 5.2916 6.4277 6.4277 7.8790 7.8790 8.1658 8.1658 9.8243 9.8244 k = 0.0392 0.0392-0.0000 ( 7531 PWs) bands (ev): -8.5984 -8.5984 -8.3117 -8.3117 -8.2654 -8.2654 -7.9488 -7.9488 -3.5020 -3.5020 -3.4772 -3.4772 -3.3520 -3.3520 -3.2937 -3.2937 -2.0139 -2.0139 -1.9159 -1.9159 -1.8399 -1.8399 -1.7642 -1.7642 -1.5237 -1.5237 -1.4585 -1.4585 -0.3058 -0.3058 0.1433 0.1433 1.9084 1.9084 2.1244 2.1244 2.3907 2.3907 2.4549 2.4549 2.7974 2.7974 3.0523 3.0523 3.1200 3.1200 3.4482 3.4482 3.9062 3.9062 4.1056 4.1056 5.2245 5.2245 6.4304 6.4304 7.8477 7.8477 8.1226 8.1226 9.8235 9.8238 k = 0.0294 0.0294-0.0000 ( 7547 PWs) bands (ev): -8.6021 -8.6021 -8.3137 -8.3137 -8.2674 -8.2674 -7.9485 -7.9485 -3.5007 -3.5007 -3.4809 -3.4809 -3.3512 -3.3512 -3.2957 -3.2957 -2.0147 -2.0147 -1.9176 -1.9176 -1.8408 -1.8408 -1.7671 -1.7671 -1.5233 -1.5233 -1.4583 -1.4583 -0.3058 -0.3058 0.1560 0.1560 1.9169 1.9169 2.1467 2.1467 2.4031 2.4031 2.4490 2.4490 2.8169 2.8169 3.0611 3.0611 3.1120 3.1120 3.4510 3.4510 3.9290 3.9290 4.1374 4.1374 5.1671 5.1671 6.4323 6.4323 7.8232 7.8232 8.0885 8.0885 9.8164 9.8166 k = 0.0196 0.0196-0.0000 ( 7533 PWs) bands (ev): -8.6048 -8.6048 -8.3152 -8.3152 -8.2688 -8.2688 -7.9484 -7.9484 -3.4993 -3.4993 -3.4840 -3.4840 -3.3506 -3.3506 -3.2972 -3.2972 -2.0153 -2.0153 -1.9187 -1.9187 -1.8415 -1.8415 -1.7692 -1.7692 -1.5231 -1.5231 -1.4581 -1.4581 -0.3059 -0.3059 0.1652 0.1652 1.9230 1.9230 2.1637 2.1637 2.4125 2.4125 2.4434 2.4434 2.8317 2.8317 3.0684 3.0684 3.1043 3.1043 3.4533 3.4533 3.9450 3.9450 4.1641 4.1641 5.1224 5.1224 6.4336 6.4336 7.8057 7.8057 8.0638 8.0638 9.8067 9.8068 k = 0.0098 0.0098-0.0000 ( 7521 PWs) bands (ev): -8.6064 -8.6064 -8.3161 -8.3161 -8.2696 -8.2696 -7.9483 -7.9483 -3.4981 -3.4981 -3.4862 -3.4862 -3.3502 -3.3502 -3.2982 -3.2982 -2.0157 -2.0157 -1.9194 -1.9194 -1.8419 -1.8419 -1.7705 -1.7705 -1.5229 -1.5229 -1.4580 -1.4580 -0.3059 -0.3059 0.1707 0.1707 1.9267 1.9267 2.1743 2.1743 2.4187 2.4187 2.4390 2.4390 2.8409 2.8409 3.0740 3.0740 3.0979 3.0979 3.4548 3.4548 3.9545 3.9545 4.1821 4.1821 5.0939 5.0939 6.4343 6.4343 7.7952 7.7952 8.0490 8.0490 9.7996 9.7996 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -8.6069 -8.6069 -8.3164 -8.3164 -8.2699 -8.2699 -7.9482 -7.9482 -3.4976 -3.4976 -3.4871 -3.4871 -3.3500 -3.3500 -3.2985 -3.2985 -2.0158 -2.0158 -1.9197 -1.9197 -1.8420 -1.8420 -1.7709 -1.7709 -1.5228 -1.5228 -1.4580 -1.4580 -0.3059 -0.3059 0.1726 0.1726 1.9279 1.9279 2.1780 2.1780 2.4211 2.4211 2.4372 2.4372 2.8441 2.8441 3.0765 3.0765 3.0951 3.0951 3.4554 3.4554 3.9576 3.9576 4.1885 4.1885 5.0840 5.0840 6.4346 6.4346 7.7916 7.7916 8.0440 8.0440 9.7971 9.7971 k = 0.0000 0.0000 0.0000 ( 7513 PWs) bands (ev): -8.6069 -8.6069 -8.3164 -8.3164 -8.2699 -8.2699 -7.9482 -7.9482 -3.4976 -3.4976 -3.4871 -3.4871 -3.3500 -3.3500 -3.2985 -3.2985 -2.0158 -2.0158 -1.9197 -1.9197 -1.8420 -1.8420 -1.7709 -1.7709 -1.5228 -1.5228 -1.4580 -1.4580 -0.3059 -0.3059 0.1726 0.1726 1.9279 1.9279 2.1780 2.1780 2.4211 2.4211 2.4372 2.4372 2.8441 2.8441 3.0765 3.0765 3.0951 3.0951 3.4554 3.4554 3.9576 3.9576 4.1885 4.1885 5.0840 5.0840 6.4346 6.4346 7.7916 7.7916 8.0440 8.0440 9.7971 9.7971 k = 0.0000 0.0000 0.0136 ( 7517 PWs) bands (ev): -8.6064 -8.6064 -8.3236 -8.3236 -8.2626 -8.2626 -7.9489 -7.9489 -3.4975 -3.4975 -3.4871 -3.4871 -3.3498 -3.3498 -3.2987 -3.2987 -2.0156 -2.0156 -1.9204 -1.9204 -1.8415 -1.8415 -1.7711 -1.7711 -1.5226 -1.5226 -1.4583 -1.4583 -0.3043 -0.3043 0.1705 0.1705 1.9290 1.9290 2.1801 2.1801 2.4223 2.4223 2.4347 2.4347 2.8411 2.8411 3.0805 3.0805 3.0904 3.0904 3.4608 3.4608 3.9526 3.9526 4.1865 4.1865 5.0911 5.0911 6.4302 6.4302 7.7925 7.7925 8.0428 8.0428 9.7955 9.7955 k = 0.0000 0.0000 0.0272 ( 7521 PWs) bands (ev): -8.6048 -8.6048 -8.3388 -8.3388 -8.2471 -8.2471 -7.9509 -7.9509 -3.4974 -3.4974 -3.4873 -3.4873 -3.3493 -3.3493 -3.2992 -3.2992 -2.0149 -2.0149 -1.9224 -1.9224 -1.8398 -1.8398 -1.7716 -1.7716 -1.5221 -1.5221 -1.4592 -1.4592 -0.2995 -0.2995 0.1645 0.1645 1.9324 1.9324 2.1862 2.1862 2.4243 2.4243 2.4293 2.4293 2.8324 2.8324 3.0771 3.0771 3.0921 3.0921 3.4762 3.4762 3.9383 3.9383 4.1806 4.1806 5.1121 5.1121 6.4170 6.4170 7.7951 7.7951 8.0391 8.0391 9.7908 9.7909 k = 0.0000 0.0000 0.0408 ( 7533 PWs) bands (ev): -8.6020 -8.6020 -8.3561 -8.3561 -8.2292 -8.2292 -7.9542 -7.9542 -3.4973 -3.4973 -3.4875 -3.4875 -3.3484 -3.3484 -3.3002 -3.3002 -2.0137 -2.0137 -1.9255 -1.9255 -1.8372 -1.8372 -1.7724 -1.7724 -1.5211 -1.5211 -1.4606 -1.4606 -0.2917 -0.2917 0.1546 0.1546 1.9380 1.9380 2.1956 2.1956 2.4156 2.4156 2.4338 2.4338 2.8183 2.8183 3.0566 3.0566 3.1106 3.1106 3.4998 3.4998 3.9156 3.9156 4.1708 4.1708 5.1457 5.1457 6.3954 6.3954 7.7993 7.7993 8.0333 8.0333 9.7833 9.7836 k = 0.0000 0.0000 0.0544 ( 7533 PWs) bands (ev): -8.5983 -8.5983 -8.3741 -8.3741 -8.2105 -8.2105 -7.9587 -7.9587 -3.4971 -3.4971 -3.4878 -3.4878 -3.3471 -3.3471 -3.3015 -3.3015 -2.0121 -2.0121 -1.9295 -1.9295 -1.8338 -1.8338 -1.7735 -1.7735 -1.5198 -1.5198 -1.4626 -1.4626 -0.2808 -0.2808 0.1411 0.1411 1.9458 1.9458 2.2070 2.2070 2.4033 2.4033 2.4430 2.4430 2.7998 2.7998 3.0303 3.0303 3.1352 3.1352 3.5296 3.5296 3.8861 3.8861 4.1573 4.1573 5.1903 5.1903 6.3655 6.3655 7.8052 7.8052 8.0254 8.0254 9.7718 9.7732 k = 0.0000 0.0000 0.0680 ( 7537 PWs) bands (ev): -8.5934 -8.5934 -8.3920 -8.3920 -8.1916 -8.1916 -7.9645 -7.9645 -3.4968 -3.4968 -3.4882 -3.4882 -3.3455 -3.3455 -3.3031 -3.3031 -2.0100 -2.0100 -1.9342 -1.9342 -1.8300 -1.8300 -1.7749 -1.7749 -1.5181 -1.5181 -1.4651 -1.4651 -0.2670 -0.2670 0.1243 0.1243 1.9558 1.9558 2.2180 2.2180 2.3923 2.3923 2.4551 2.4551 2.7774 2.7774 2.9995 2.9995 3.1649 3.1649 3.5636 3.5636 3.8515 3.8515 4.1401 4.1401 5.2439 5.2439 6.3279 6.3279 7.8125 7.8125 8.0158 8.0158 9.7426 9.7494 k = 0.0000 0.0000 0.0817 ( 7513 PWs) bands (ev): -8.5875 -8.5875 -8.4097 -8.4097 -8.1727 -8.1727 -7.9716 -7.9716 -3.4964 -3.4964 -3.4886 -3.4886 -3.3436 -3.3436 -3.3050 -3.3050 -2.0074 -2.0074 -1.9394 -1.9394 -1.8259 -1.8259 -1.7766 -1.7766 -1.5161 -1.5161 -1.4680 -1.4680 -0.2506 -0.2506 0.1045 0.1045 1.9679 1.9679 2.2248 2.2248 2.3866 2.3866 2.4702 2.4702 2.7522 2.7522 2.9651 2.9651 3.1985 3.1985 3.6002 3.6002 3.8136 3.8136 4.1194 4.1194 5.3049 5.3049 6.2831 6.2831 7.8212 7.8212 8.0047 8.0047 9.7195 9.7209 k = 0.0000 0.0000 0.0953 ( 7537 PWs) bands (ev): -8.5806 -8.5806 -8.4270 -8.4270 -8.1541 -8.1541 -7.9799 -7.9799 -3.4960 -3.4960 -3.4891 -3.4891 -3.3414 -3.3414 -3.3073 -3.3073 -2.0044 -2.0044 -1.9449 -1.9449 -1.8216 -1.8216 -1.7787 -1.7787 -1.5138 -1.5138 -1.4712 -1.4712 -0.2317 -0.2317 0.0822 0.0822 1.9820 1.9820 2.2235 2.2235 2.3905 2.3905 2.4884 2.4884 2.7249 2.7249 2.9276 2.9276 3.2353 3.2353 3.6372 3.6372 3.7747 3.7747 4.0954 4.0954 5.3716 5.3716 6.2316 6.2316 7.8312 7.8312 7.9926 7.9926 9.7006 9.7039 k = 0.0000 0.0000 0.1089 ( 7524 PWs) bands (ev): -8.5726 -8.5726 -8.4439 -8.4439 -8.1357 -8.1357 -7.9893 -7.9893 -3.4956 -3.4956 -3.4896 -3.4896 -3.3390 -3.3390 -3.3098 -3.3098 -2.0010 -2.0010 -1.9506 -1.9506 -1.8172 -1.8172 -1.7810 -1.7810 -1.5111 -1.5111 -1.4747 -1.4747 -0.2105 -0.2105 0.0578 0.0578 1.9980 1.9980 2.2130 2.2130 2.4049 2.4049 2.5101 2.5101 2.6961 2.6961 2.8876 2.8876 3.2747 3.2747 3.6677 3.6677 3.7416 3.7416 4.0684 4.0684 5.4426 5.4426 6.1743 6.1743 7.8423 7.8423 7.9796 7.9796 9.6853 9.6904 k = 0.0000 0.0000 0.1225 ( 7524 PWs) bands (ev): -8.5637 -8.5637 -8.4602 -8.4602 -8.1178 -8.1178 -7.9999 -7.9999 -3.4951 -3.4951 -3.4902 -3.4902 -3.3363 -3.3363 -3.3124 -3.3124 -1.9973 -1.9973 -1.9564 -1.9564 -1.8128 -1.8128 -1.7836 -1.7836 -1.5081 -1.5081 -1.4785 -1.4785 -0.1873 -0.1873 0.0317 0.0317 2.0159 2.0159 2.1956 2.1956 2.4272 2.4272 2.5354 2.5354 2.6663 2.6663 2.8459 2.8459 3.3159 3.3159 3.6622 3.6622 3.7442 3.7442 4.0385 4.0385 5.5168 5.5168 6.1117 6.1117 7.8543 7.8543 7.9659 7.9659 9.6737 9.6737 k = 0.0000 0.0000 0.1361 ( 7528 PWs) bands (ev): -8.5537 -8.5537 -8.4758 -8.4758 -8.1005 -8.1005 -8.0115 -8.0115 -3.4945 -3.4945 -3.4908 -3.4908 -3.3335 -3.3335 -3.3153 -3.3153 -1.9931 -1.9931 -1.9621 -1.9621 -1.8086 -1.8086 -1.7865 -1.7865 -1.5049 -1.5049 -1.4823 -1.4823 -0.1624 -0.1624 0.0044 0.0044 2.0354 2.0354 2.1741 2.1741 2.4542 2.4542 2.5646 2.5646 2.6361 2.6361 2.8029 2.8029 3.3586 3.3586 3.6251 3.6251 3.7778 3.7778 4.0061 4.0061 5.5930 5.5930 6.0448 6.0448 7.8671 7.8671 7.9518 7.9518 9.6659 9.6660 k = 0.0000 0.0000 0.1497 ( 7532 PWs) bands (ev): -8.5429 -8.5429 -8.4908 -8.4908 -8.0837 -8.0837 -8.0242 -8.0242 -3.4939 -3.4939 -3.4915 -3.4915 -3.3306 -3.3306 -3.3183 -3.3183 -1.9886 -1.9886 -1.9678 -1.9678 -1.8044 -1.8044 -1.7896 -1.7896 -1.5015 -1.5015 -1.4863 -1.4863 -0.1362 -0.1362 -0.0237 -0.0237 2.0565 2.0565 2.1506 2.1506 2.4835 2.4835 2.5978 2.5978 2.6056 2.6056 2.7594 2.7594 3.4024 3.4024 3.5818 3.5818 3.8171 3.8171 3.9713 3.9713 5.6703 5.6703 5.9741 5.9741 7.8806 7.8806 7.9375 7.9375 9.6619 9.6620 k = 0.0000 0.0000 0.1633 ( 7508 PWs) bands (ev): -8.5311 -8.5311 -8.5051 -8.5051 -8.0676 -8.0676 -8.0378 -8.0378 -3.4933 -3.4933 -3.4921 -3.4921 -3.3275 -3.3275 -3.3213 -3.3213 -1.9838 -1.9838 -1.9734 -1.9734 -1.8004 -1.8004 -1.7930 -1.7930 -1.4979 -1.4979 -1.4902 -1.4902 -0.1088 -0.1088 -0.0522 -0.0522 2.0789 2.0789 2.1264 2.1264 2.5138 2.5138 2.5750 2.5750 2.6346 2.6346 2.7163 2.7163 3.4469 3.4469 3.5370 3.5370 3.8570 3.8570 3.9347 3.9347 5.7479 5.7479 5.9006 5.9006 7.8945 7.8945 7.9231 7.9231 9.6624 9.6667 k = 0.0000 0.0000 0.1769 ( 7512 PWs) bands (ev): -8.5185 -8.5185 -8.5185 -8.5185 -8.0523 -8.0523 -8.0523 -8.0523 -3.4927 -3.4927 -3.4927 -3.4927 -3.3244 -3.3244 -3.3244 -3.3244 -1.9787 -1.9787 -1.9787 -1.9787 -1.7966 -1.7966 -1.7966 -1.7966 -1.4941 -1.4941 -1.4941 -1.4941 -0.0807 -0.0807 -0.0807 -0.0807 2.1023 2.1023 2.1023 2.1023 2.5443 2.5443 2.5443 2.5443 2.6744 2.6744 2.6744 2.6744 3.4919 3.4919 3.4919 3.4919 3.8964 3.8964 3.8964 3.8964 5.8249 5.8249 5.8249 5.8249 7.9087 7.9087 7.9087 7.9087 9.6647 9.6647 k = 0.0000 0.0000 0.1769 ( 7512 PWs) bands (ev): -8.5185 -8.5185 -8.5185 -8.5185 -8.0523 -8.0523 -8.0523 -8.0523 -3.4927 -3.4927 -3.4927 -3.4927 -3.3244 -3.3244 -3.3244 -3.3244 -1.9787 -1.9787 -1.9787 -1.9787 -1.7966 -1.7966 -1.7966 -1.7966 -1.4941 -1.4941 -1.4941 -1.4941 -0.0807 -0.0807 -0.0807 -0.0807 2.1023 2.1023 2.1023 2.1023 2.5443 2.5443 2.5443 2.5443 2.6744 2.6744 2.6744 2.6744 3.4919 3.4919 3.4919 3.4919 3.8964 3.8964 3.8964 3.8964 5.8249 5.8249 5.8249 5.8249 7.9087 7.9087 7.9087 7.9087 9.6647 9.6647 k = 0.0000 0.0135 0.1769 ( 7522 PWs) bands (ev): -8.5181 -8.5181 -8.5180 -8.5180 -8.0524 -8.0524 -8.0520 -8.0520 -3.4954 -3.4954 -3.4897 -3.4897 -3.3280 -3.3280 -3.3207 -3.3207 -1.9821 -1.9821 -1.9748 -1.9748 -1.8003 -1.8003 -1.7925 -1.7925 -1.4951 -1.4951 -1.4931 -1.4931 -0.0843 -0.0843 -0.0786 -0.0786 2.0878 2.0878 2.1149 2.1149 2.5390 2.5390 2.5441 2.5441 2.6710 2.6710 2.6764 2.6764 3.4878 3.4878 3.4929 3.4929 3.8901 3.8901 3.9024 3.9024 5.8131 5.8131 5.8410 5.8410 7.9077 7.9077 7.9178 7.9178 9.6651 9.6653 k = 0.0000 0.0270 0.1769 ( 7530 PWs) bands (ev): -8.5169 -8.5169 -8.5166 -8.5166 -8.0524 -8.0524 -8.0516 -8.0516 -3.4978 -3.4978 -3.4864 -3.4864 -3.3314 -3.3314 -3.3168 -3.3168 -1.9851 -1.9851 -1.9704 -1.9704 -1.8036 -1.8036 -1.7879 -1.7879 -1.4962 -1.4962 -1.4922 -1.4922 -0.0899 -0.0899 -0.0776 -0.0776 2.0709 2.0709 2.1257 2.1257 2.5250 2.5250 2.5418 2.5418 2.6658 2.6658 2.6771 2.6771 3.4798 3.4798 3.4918 3.4918 3.8831 3.8831 3.9086 3.9086 5.8036 5.8036 5.8633 5.8633 7.9146 7.9146 7.9351 7.9351 9.6660 9.6662 k = 0.0000 0.0405 0.1769 ( 7524 PWs) bands (ev): -8.5149 -8.5149 -8.5141 -8.5141 -8.0524 -8.0524 -8.0509 -8.0509 -3.4998 -3.4998 -3.4827 -3.4827 -3.3346 -3.3346 -3.3127 -3.3127 -1.9878 -1.9878 -1.9656 -1.9656 -1.8065 -1.8065 -1.7829 -1.7829 -1.4974 -1.4974 -1.4914 -1.4914 -0.0979 -0.0979 -0.0773 -0.0773 2.0514 2.0514 2.1345 2.1345 2.5031 2.5031 2.5379 2.5379 2.6585 2.6585 2.6763 2.6763 3.4679 3.4679 3.4892 3.4892 3.8750 3.8750 3.9154 3.9154 5.7947 5.7947 5.8926 5.8926 7.9291 7.9291 7.9606 7.9606 9.6659 9.6659 k = 0.0000 0.0541 0.1769 ( 7534 PWs) bands (ev): -8.5120 -8.5120 -8.5107 -8.5107 -8.0523 -8.0523 -8.0501 -8.0501 -3.5016 -3.5016 -3.4786 -3.4786 -3.3377 -3.3377 -3.3084 -3.3084 -1.9900 -1.9900 -1.9602 -1.9602 -1.8090 -1.8090 -1.7774 -1.7774 -1.4985 -1.4985 -1.4907 -1.4907 -0.1085 -0.1085 -0.0776 -0.0776 2.0288 2.0288 2.1414 2.1414 2.4750 2.4750 2.5326 2.5326 2.6491 2.6491 2.6741 2.6741 3.4522 3.4522 3.4854 3.4854 3.8658 3.8658 3.9227 3.9227 5.7852 5.7852 5.9289 5.9289 7.9512 7.9512 7.9940 7.9940 9.6627 9.6627 k = 0.0000 0.0676 0.1769 ( 7538 PWs) bands (ev): -8.5084 -8.5084 -8.5064 -8.5064 -8.0522 -8.0522 -8.0490 -8.0490 -3.5031 -3.5031 -3.4742 -3.4742 -3.3407 -3.3407 -3.3039 -3.3039 -1.9919 -1.9919 -1.9544 -1.9544 -1.8113 -1.8113 -1.7714 -1.7714 -1.4997 -1.4997 -1.4900 -1.4900 -0.1219 -0.1219 -0.0784 -0.0784 2.0023 2.0023 2.1459 2.1459 2.4424 2.4424 2.5259 2.5259 2.6377 2.6377 2.6705 2.6705 3.4334 3.4334 3.4805 3.4805 3.8557 3.8557 3.9303 3.9303 5.7747 5.7747 5.9712 5.9712 7.9808 7.9808 8.0351 8.0351 9.6538 9.6538 k = 0.0000 0.0811 0.1769 ( 7550 PWs) bands (ev): -8.5040 -8.5040 -8.5012 -8.5012 -8.0521 -8.0521 -8.0478 -8.0478 -3.5043 -3.5043 -3.4695 -3.4695 -3.3435 -3.3435 -3.2992 -3.2992 -1.9934 -1.9934 -1.9481 -1.9481 -1.8132 -1.8132 -1.7648 -1.7648 -1.5007 -1.5007 -1.4895 -1.4895 -0.1381 -0.1381 -0.0796 -0.0796 1.9713 1.9713 2.1475 2.1475 2.4076 2.4076 2.5173 2.5173 2.6250 2.6250 2.6657 2.6657 3.4122 3.4122 3.4745 3.4745 3.8450 3.8450 3.9380 3.9380 5.7630 5.7630 6.0182 6.0182 8.0178 8.0178 8.0831 8.0831 9.6370 9.6370 k = 0.0000 0.0946 0.1769 ( 7552 PWs) bands (ev): -8.4989 -8.4989 -8.4950 -8.4950 -8.0520 -8.0520 -8.0464 -8.0464 -3.5053 -3.5053 -3.4644 -3.4644 -3.3461 -3.3461 -3.2943 -3.2943 -1.9947 -1.9947 -1.9413 -1.9413 -1.8149 -1.8149 -1.7577 -1.7577 -1.5017 -1.5017 -1.4891 -1.4891 -0.1573 -0.1573 -0.0812 -0.0812 1.9351 1.9351 2.1454 2.1454 2.3726 2.3726 2.5061 2.5061 2.6125 2.6125 2.6603 2.6603 3.3893 3.3893 3.4676 3.4676 3.8338 3.8338 3.9453 3.9453 5.7500 5.7500 6.0683 6.0683 8.0622 8.0622 8.1371 8.1371 9.6110 9.6110 k = 0.0000 0.1081 0.1769 ( 7554 PWs) bands (ev): -8.4930 -8.4930 -8.4879 -8.4879 -8.0519 -8.0519 -8.0448 -8.0448 -3.5060 -3.5060 -3.4590 -3.4590 -3.3487 -3.3487 -3.2892 -3.2892 -1.9956 -1.9956 -1.9341 -1.9341 -1.8163 -1.8163 -1.7500 -1.7500 -1.5026 -1.5026 -1.4887 -1.4887 -0.1794 -0.1794 -0.0833 -0.0833 1.8928 1.8928 2.1392 2.1392 2.3394 2.3394 2.4914 2.4914 2.6018 2.6018 2.6547 2.6547 3.3653 3.3653 3.4598 3.4598 3.8224 3.8224 3.9518 3.9518 5.7360 5.7360 6.1199 6.1199 8.1140 8.1140 8.1961 8.1961 9.5756 9.5756 k = 0.0000 0.1216 0.1769 ( 7574 PWs) bands (ev): -8.4864 -8.4864 -8.4800 -8.4800 -8.0518 -8.0518 -8.0431 -8.0431 -3.5065 -3.5065 -3.4532 -3.4532 -3.3510 -3.3510 -3.2838 -3.2838 -1.9963 -1.9963 -1.9266 -1.9266 -1.8175 -1.8175 -1.7417 -1.7417 -1.5033 -1.5033 -1.4884 -1.4884 -0.2044 -0.2044 -0.0861 -0.0861 1.8440 1.8440 2.1284 2.1284 2.3090 2.3090 2.4726 2.4726 2.5942 2.5942 2.6494 2.6494 3.3408 3.3408 3.4510 3.4510 3.8108 3.8108 3.9572 3.9572 5.7211 5.7211 6.1716 6.1716 8.1729 8.1729 8.2589 8.2589 9.5319 9.5319 k = 0.0000 0.1351 0.1769 ( 7564 PWs) bands (ev): -8.4791 -8.4791 -8.4713 -8.4713 -8.0518 -8.0518 -8.0413 -8.0413 -3.5068 -3.5068 -3.4472 -3.4472 -3.3532 -3.3532 -3.2783 -3.2783 -1.9968 -1.9968 -1.9187 -1.9187 -1.8185 -1.8185 -1.7328 -1.7328 -1.5037 -1.5037 -1.4882 -1.4882 -0.2322 -0.2322 -0.0896 -0.0896 1.7888 1.7888 2.1141 2.1141 2.2810 2.2810 2.4504 2.4504 2.5905 2.5905 2.6450 2.6450 3.3162 3.3162 3.4413 3.4413 3.7990 3.7990 3.9611 3.9611 5.7057 5.7057 6.2222 6.2222 8.2386 8.2386 8.3241 8.3241 9.4819 9.4819 k = 0.0000 0.1486 0.1769 ( 7550 PWs) bands (ev): -8.4712 -8.4712 -8.4618 -8.4618 -8.0519 -8.0519 -8.0395 -8.0395 -3.5068 -3.5068 -3.4409 -3.4409 -3.3551 -3.3551 -3.2725 -3.2725 -1.9970 -1.9970 -1.9105 -1.9105 -1.8193 -1.8193 -1.7232 -1.7232 -1.5040 -1.5040 -1.4880 -1.4880 -0.2629 -0.2629 -0.0939 -0.0939 1.7275 1.7275 2.0975 2.0975 2.2532 2.2532 2.4265 2.4265 2.5903 2.5903 2.6424 2.6424 3.2918 3.2918 3.4307 3.4307 3.7870 3.7870 3.9630 3.9630 5.6901 5.6901 6.2704 6.2704 8.3108 8.3108 8.3901 8.3901 9.4276 9.4276 k = 0.0000 0.1622 0.1769 ( 7542 PWs) bands (ev): -8.4626 -8.4626 -8.4516 -8.4516 -8.0521 -8.0521 -8.0376 -8.0376 -3.5067 -3.5067 -3.4345 -3.4345 -3.3567 -3.3567 -3.2665 -3.2665 -1.9970 -1.9970 -1.9023 -1.9023 -1.8199 -1.8199 -1.7129 -1.7129 -1.5039 -1.5039 -1.4879 -1.4879 -0.2963 -0.2963 -0.0993 -0.0993 1.6613 1.6613 2.0806 2.0806 2.2229 2.2229 2.4028 2.4028 2.5932 2.5932 2.6420 2.6420 3.2678 3.2678 3.4190 3.4190 3.7748 3.7748 3.9629 3.9629 5.6748 5.6748 6.3156 6.3156 8.3888 8.3888 8.4553 8.4553 9.3713 9.3713 k = 0.0000 0.1757 0.1769 ( 7550 PWs) bands (ev): -8.4535 -8.4535 -8.4406 -8.4406 -8.0524 -8.0524 -8.0358 -8.0358 -3.5063 -3.5063 -3.4282 -3.4282 -3.3579 -3.3579 -3.2604 -3.2604 -1.9968 -1.9968 -1.8939 -1.8939 -1.8202 -1.8202 -1.7019 -1.7019 -1.5035 -1.5035 -1.4878 -1.4878 -0.3322 -0.3322 -0.1059 -0.1059 1.5915 1.5915 2.0648 2.0648 2.1880 2.1880 2.3806 2.3806 2.5986 2.5986 2.6442 2.6442 3.2445 3.2445 3.4062 3.4062 3.7622 3.7622 3.9604 3.9604 5.6602 5.6602 6.3570 6.3570 8.4718 8.4718 8.5180 8.5180 9.3153 9.3153 k = 0.0000 0.1892 0.1769 ( 7550 PWs) bands (ev): -8.4438 -8.4438 -8.4290 -8.4290 -8.0529 -8.0529 -8.0340 -8.0340 -3.5057 -3.5057 -3.4220 -3.4220 -3.3584 -3.3584 -3.2541 -3.2541 -1.9965 -1.9965 -1.8858 -1.8858 -1.8202 -1.8202 -1.6901 -1.6901 -1.5028 -1.5028 -1.4877 -1.4877 -0.3704 -0.3704 -0.1139 -0.1139 1.5193 1.5193 2.0510 2.0510 2.1476 2.1476 2.3606 2.3606 2.6062 2.6062 2.6493 2.6493 3.2217 3.2217 3.3921 3.3921 3.7491 3.7491 3.9553 3.9553 5.6468 5.6468 6.3941 6.3941 8.5576 8.5576 8.5773 8.5773 9.2623 9.2623 k = 0.0000 0.2027 0.1769 ( 7554 PWs) bands (ev): -8.4335 -8.4335 -8.4168 -8.4168 -8.0535 -8.0535 -8.0323 -8.0323 -3.5049 -3.5049 -3.4163 -3.4163 -3.3581 -3.3581 -3.2477 -3.2477 -1.9959 -1.9959 -1.8779 -1.8779 -1.8197 -1.8197 -1.6777 -1.6777 -1.5017 -1.5017 -1.4876 -1.4876 -0.4107 -0.4107 -0.1237 -0.1237 1.4463 1.4463 2.0397 2.0397 2.1019 2.1019 2.3425 2.3425 2.6157 2.6157 2.6572 2.6572 3.1997 3.1997 3.3767 3.3767 3.7356 3.7356 3.9476 3.9476 5.6351 5.6351 6.4267 6.4267 8.6231 8.6231 8.6532 8.6532 9.2150 9.2150 k = 0.0000 0.2162 0.1769 ( 7542 PWs) bands (ev): -8.4228 -8.4228 -8.4040 -8.4040 -8.0543 -8.0543 -8.0307 -8.0307 -3.5040 -3.5040 -3.4114 -3.4114 -3.3566 -3.3566 -3.2411 -3.2411 -1.9951 -1.9951 -1.8708 -1.8708 -1.8186 -1.8186 -1.6645 -1.6645 -1.5003 -1.5003 -1.4873 -1.4873 -0.4528 -0.4528 -0.1354 -0.1354 1.3736 1.3736 2.0312 2.0312 2.0519 2.0519 2.3261 2.3261 2.6270 2.6270 2.6676 2.6676 3.1782 3.1782 3.3599 3.3599 3.7214 3.7214 3.9373 3.9373 5.6254 5.6254 6.4545 6.4545 8.6648 8.6648 8.7455 8.7455 9.1768 9.1768 k = 0.0000 0.2297 0.1769 ( 7534 PWs) bands (ev): -8.4116 -8.4116 -8.3908 -8.3908 -8.0554 -8.0554 -8.0294 -8.0294 -3.5028 -3.5028 -3.4076 -3.4076 -3.3535 -3.3535 -3.2345 -3.2345 -1.9941 -1.9941 -1.8647 -1.8647 -1.8164 -1.8164 -1.6505 -1.6505 -1.4985 -1.4985 -1.4870 -1.4870 -0.4963 -0.4963 -0.1495 -0.1495 1.3026 1.3026 1.9985 1.9985 2.0257 2.0257 2.3111 2.3111 2.6398 2.6398 2.6803 2.6803 3.1574 3.1574 3.3415 3.3415 3.7065 3.7065 3.9244 3.9244 5.6181 5.6181 6.4774 6.4774 8.6932 8.6932 8.8398 8.8398 9.1515 9.1515 k = 0.0000 0.2432 0.1769 ( 7526 PWs) bands (ev): -8.4001 -8.4001 -8.3770 -8.3770 -8.0567 -8.0567 -8.0282 -8.0282 -3.5015 -3.5015 -3.4053 -3.4053 -3.3488 -3.3488 -3.2279 -3.2279 -1.9930 -1.9930 -1.8601 -1.8601 -1.8128 -1.8128 -1.6358 -1.6358 -1.4967 -1.4967 -1.4863 -1.4863 -0.5411 -0.5411 -0.1662 -0.1662 1.2342 1.2342 1.9425 1.9425 2.0232 2.0232 2.2974 2.2974 2.6536 2.6536 2.6947 2.6947 3.1373 3.1373 3.3215 3.3215 3.6909 3.6909 3.9090 3.9090 5.6137 5.6137 6.4954 6.4954 8.7071 8.7071 8.9342 8.9342 9.1421 9.1421 k = 0.0000 0.2568 0.1769 ( 7522 PWs) bands (ev): -8.3882 -8.3882 -8.3629 -8.3629 -8.0582 -8.0582 -8.0274 -8.0274 -3.4999 -3.4999 -3.4042 -3.4042 -3.3424 -3.3424 -3.2212 -3.2212 -1.9916 -1.9916 -1.8573 -1.8573 -1.8076 -1.8076 -1.6205 -1.6205 -1.4950 -1.4950 -1.4850 -1.4850 -0.5865 -0.5865 -0.1858 -0.1858 1.1695 1.1695 1.8847 1.8847 2.0236 2.0236 2.2853 2.2853 2.6681 2.6681 2.7107 2.7107 3.1178 3.1178 3.2998 3.2998 3.6745 3.6745 3.8914 3.8914 5.6123 5.6123 6.5083 6.5083 8.7074 8.7074 9.0265 9.0265 9.1500 9.1500 k = 0.0000 0.2703 0.1769 ( 7526 PWs) bands (ev): -8.3760 -8.3760 -8.3485 -8.3485 -8.0601 -8.0601 -8.0269 -8.0269 -3.4982 -3.4982 -3.4042 -3.4042 -3.3347 -3.3347 -3.2146 -3.2146 -1.9900 -1.9900 -1.8561 -1.8561 -1.8008 -1.8008 -1.6045 -1.6045 -1.4937 -1.4937 -1.4828 -1.4828 -0.6324 -0.6324 -0.2087 -0.2087 1.1093 1.1093 1.8258 1.8258 2.0269 2.0269 2.2750 2.2750 2.6825 2.6825 2.7280 2.7280 3.0990 3.0990 3.2765 3.2765 3.6573 3.6573 3.8718 3.8718 5.6141 5.6141 6.5162 6.5162 8.6976 8.6976 9.1111 9.1111 9.1771 9.1771 k = 0.0000 0.2838 0.1769 ( 7528 PWs) bands (ev): -8.3636 -8.3636 -8.3339 -8.3339 -8.0623 -8.0623 -8.0267 -8.0267 -3.4964 -3.4964 -3.4051 -3.4051 -3.3260 -3.3260 -3.2082 -3.2082 -1.9883 -1.9883 -1.8563 -1.8563 -1.7928 -1.7928 -1.5880 -1.5880 -1.4931 -1.4931 -1.4795 -1.4795 -0.6781 -0.6781 -0.2351 -0.2351 1.0544 1.0544 1.7661 1.7661 2.0328 2.0328 2.2669 2.2669 2.6959 2.6959 2.7467 2.7467 3.0811 3.0811 3.2519 3.2519 3.6394 3.6394 3.8506 3.8506 5.6192 5.6192 6.5191 6.5191 8.6826 8.6826 9.1711 9.1711 9.2355 9.2355 k = 0.0000 0.2973 0.1769 ( 7536 PWs) bands (ev): -8.3509 -8.3509 -8.3191 -8.3191 -8.0649 -8.0649 -8.0270 -8.0270 -3.4944 -3.4944 -3.4065 -3.4065 -3.3165 -3.3165 -3.2019 -3.2019 -1.9863 -1.9863 -1.8576 -1.8576 -1.7839 -1.7839 -1.5712 -1.5712 -1.4929 -1.4929 -1.4754 -1.4754 -0.7234 -0.7234 -0.2651 -0.2651 1.0055 1.0055 1.7063 1.7063 2.0413 2.0413 2.2612 2.2612 2.7073 2.7073 2.7665 2.7665 3.0640 3.0640 3.2264 3.2264 3.6207 3.6207 3.8280 3.8280 5.6277 5.6277 6.5171 6.5171 8.6664 8.6664 9.2122 9.2122 9.3149 9.3149 k = 0.0000 0.3108 0.1769 ( 7526 PWs) bands (ev): -8.3382 -8.3382 -8.3041 -8.3041 -8.0678 -8.0678 -8.0278 -8.0278 -3.4922 -3.4922 -3.4084 -3.4084 -3.3065 -3.3065 -3.1959 -3.1959 -1.9841 -1.9841 -1.8597 -1.8597 -1.7741 -1.7741 -1.5542 -1.5542 -1.4931 -1.4931 -1.4704 -1.4704 -0.7676 -0.7676 -0.2987 -0.2987 0.9628 0.9628 1.6466 1.6466 2.0521 2.0521 2.2583 2.2583 2.7154 2.7154 2.7876 2.7876 3.0474 3.0474 3.2009 3.2009 3.6015 3.6015 3.8044 3.8044 5.6396 5.6396 6.5102 6.5102 8.6519 8.6519 9.2505 9.2505 9.3953 9.3953 k = 0.0000 0.3243 0.1769 ( 7518 PWs) bands (ev): -8.3253 -8.3253 -8.2891 -8.2891 -8.0710 -8.0710 -8.0290 -8.0290 -3.4899 -3.4899 -3.4106 -3.4106 -3.2961 -3.2961 -3.1902 -3.1902 -1.9816 -1.9816 -1.8626 -1.8626 -1.7638 -1.7638 -1.5374 -1.5374 -1.4935 -1.4935 -1.4647 -1.4647 -0.8103 -0.8103 -0.3358 -0.3358 0.9267 0.9267 1.5875 1.5875 2.0650 2.0650 2.2584 2.2584 2.7194 2.7194 2.8099 2.8099 3.0307 3.0307 3.1770 3.1770 3.5818 3.5818 3.7801 3.7801 5.6547 5.6547 6.4986 6.4986 8.6411 8.6411 9.2881 9.2881 9.4710 9.4710 k = 0.0000 0.3378 0.1769 ( 7514 PWs) bands (ev): -8.3123 -8.3123 -8.2742 -8.2742 -8.0747 -8.0747 -8.0308 -8.0308 -3.4874 -3.4874 -3.4131 -3.4131 -3.2854 -3.2854 -3.1849 -3.1849 -1.9789 -1.9789 -1.8659 -1.8659 -1.7529 -1.7529 -1.5215 -1.5215 -1.4937 -1.4937 -1.4581 -1.4581 -0.8509 -0.8509 -0.3761 -0.3761 0.8973 0.8973 1.5291 1.5291 2.0799 2.0799 2.2619 2.2619 2.7184 2.7184 2.8331 2.8331 3.0122 3.0122 3.1566 3.1566 3.5618 3.5618 3.7553 3.7553 5.6730 5.6730 6.4826 6.4826 8.6351 8.6351 9.3236 9.3236 9.5393 9.5393 k = 0.0000 0.3514 0.1769 ( 7514 PWs) bands (ev): -8.2994 -8.2994 -8.2594 -8.2594 -8.0787 -8.0787 -8.0331 -8.0331 -3.4848 -3.4848 -3.4157 -3.4157 -3.2747 -3.2747 -3.1800 -3.1800 -1.9760 -1.9760 -1.8698 -1.8698 -1.7415 -1.7415 -1.5090 -1.5090 -1.4920 -1.4920 -1.4506 -1.4506 -0.8887 -0.8887 -0.4193 -0.4193 0.8745 0.8745 1.4718 1.4718 2.0964 2.0964 2.2687 2.2687 2.7121 2.7121 2.8572 2.8572 2.9901 2.9901 3.1421 3.1421 3.5417 3.5417 3.7302 3.7302 5.6943 5.6943 6.4623 6.4623 8.6347 8.6347 9.3544 9.3544 9.5976 9.5976 k = 0.0000 0.3649 0.1769 ( 7510 PWs) bands (ev): -8.2866 -8.2866 -8.2449 -8.2449 -8.0831 -8.0831 -8.0360 -8.0360 -3.4821 -3.4821 -3.4185 -3.4185 -3.2639 -3.2639 -3.1758 -3.1758 -1.9728 -1.9728 -1.8740 -1.8740 -1.7295 -1.7295 -1.5046 -1.5046 -1.4842 -1.4842 -1.4419 -1.4419 -0.9231 -0.9231 -0.4647 -0.4647 0.8579 0.8579 1.4159 1.4159 2.1146 2.1146 2.2791 2.2791 2.7006 2.7006 2.8818 2.8818 2.9630 2.9630 3.1348 3.1348 3.5220 3.5220 3.7049 3.7049 5.7184 5.7184 6.4381 6.4381 8.6402 8.6402 9.3768 9.3768 9.6440 9.6440 k = 0.0000 0.3784 0.1769 ( 7502 PWs) bands (ev): -8.2738 -8.2738 -8.2306 -8.2306 -8.0878 -8.0878 -8.0396 -8.0396 -3.4793 -3.4793 -3.4214 -3.4214 -3.2533 -3.2533 -3.1721 -3.1721 -1.9693 -1.9693 -1.8786 -1.8786 -1.7170 -1.7170 -1.5058 -1.5058 -1.4734 -1.4734 -1.4323 -1.4323 -0.9531 -0.9531 -0.5118 -0.5118 0.8475 0.8475 1.3614 1.3614 2.1342 2.1342 2.2928 2.2928 2.6843 2.6843 2.9070 2.9070 2.9313 2.9313 3.1338 3.1338 3.5029 3.5029 3.6797 3.6797 5.7451 5.7451 6.4104 6.4104 8.6518 8.6518 9.3861 9.3861 9.6792 9.6792 k = 0.0000 0.3919 0.1769 ( 7514 PWs) bands (ev): -8.2613 -8.2613 -8.2169 -8.2169 -8.0928 -8.0928 -8.0438 -8.0438 -3.4763 -3.4763 -3.4244 -3.4244 -3.2429 -3.2429 -3.1692 -3.1692 -1.9656 -1.9656 -1.8834 -1.8834 -1.7040 -1.7040 -1.5092 -1.5092 -1.4633 -1.4633 -1.4221 -1.4221 -0.9778 -0.9778 -0.5600 -0.5600 0.8427 0.8427 1.3087 1.3087 2.1553 2.1553 2.3095 2.3095 2.6640 2.6640 2.8959 2.8959 2.9324 2.9324 3.1375 3.1375 3.4850 3.4850 3.6545 3.6545 5.7743 5.7743 6.3795 6.3795 8.6693 8.6693 9.3785 9.3785 9.7083 9.7083 k = 0.0000 0.4054 0.1769 ( 7532 PWs) bands (ev): -8.2489 -8.2489 -8.2038 -8.2038 -8.0980 -8.0980 -8.0486 -8.0486 -3.4733 -3.4733 -3.4275 -3.4275 -3.2327 -3.2327 -3.1671 -3.1671 -1.9617 -1.9617 -1.8886 -1.8886 -1.6904 -1.6904 -1.5140 -1.5140 -1.4545 -1.4545 -1.4125 -1.4125 -0.9961 -0.9961 -0.6087 -0.6087 0.8433 0.8433 1.2580 1.2580 2.1778 2.1778 2.3289 2.3289 2.6409 2.6409 2.8581 2.8581 2.9578 2.9578 3.1435 3.1435 3.4691 3.4691 3.6294 3.6294 5.8058 5.8058 6.3460 6.3460 8.6926 8.6926 9.3537 9.3537 9.7374 9.7374 k = 0.0000 0.4189 0.1769 ( 7532 PWs) bands (ev): -8.2369 -8.2369 -8.1916 -8.1916 -8.1031 -8.1031 -8.0541 -8.0541 -3.4702 -3.4702 -3.4307 -3.4307 -3.2230 -3.2230 -3.1658 -3.1658 -1.9574 -1.9574 -1.8939 -1.8939 -1.6763 -1.6763 -1.5201 -1.5201 -1.4467 -1.4467 -1.4047 -1.4047 -1.0072 -1.0072 -0.6573 -0.6573 0.8489 0.8489 1.2093 1.2093 2.2018 2.2018 2.3500 2.3500 2.6160 2.6160 2.8190 2.8190 2.9832 2.9832 3.1499 3.1499 3.4559 3.4559 3.6047 3.6047 5.8392 5.8392 6.3101 6.3101 8.7215 8.7215 9.3151 9.3151 9.7689 9.7689 k = 0.0000 0.4324 0.1769 ( 7526 PWs) bands (ev): -8.2252 -8.2252 -8.1809 -8.1809 -8.1077 -8.1077 -8.0602 -8.0602 -3.4670 -3.4670 -3.4339 -3.4339 -3.2138 -3.2138 -3.1654 -3.1654 -1.9529 -1.9529 -1.8993 -1.8993 -1.6618 -1.6618 -1.5277 -1.5277 -1.4396 -1.4396 -1.3995 -1.3995 -1.0103 -1.0103 -0.7051 -0.7051 0.8591 0.8591 1.1629 1.1629 2.2272 2.2272 2.3716 2.3716 2.5911 2.5911 2.7794 2.7794 3.0083 3.0083 3.1547 3.1547 3.4464 3.4464 3.5803 3.5803 5.8745 5.8745 6.2724 6.2724 8.7555 8.7555 9.2673 9.2673 9.8020 9.8020 k = 0.0000 0.4459 0.1769 ( 7526 PWs) bands (ev): -8.2139 -8.2139 -8.1723 -8.1723 -8.1110 -8.1110 -8.0669 -8.0669 -3.4638 -3.4638 -3.4372 -3.4372 -3.2052 -3.2052 -3.1660 -3.1660 -1.9482 -1.9482 -1.9049 -1.9049 -1.6469 -1.6469 -1.5367 -1.5367 -1.4329 -1.4329 -1.3971 -1.3971 -1.0051 -1.0051 -0.7517 -0.7517 0.8737 0.8737 1.1189 1.1189 2.2539 2.2539 2.3911 2.3911 2.5690 2.5690 2.7400 2.7400 3.0329 3.0329 3.1563 3.1563 3.4416 3.4416 3.5565 3.5565 5.9114 5.9114 6.2333 6.2333 8.7943 8.7943 9.2139 9.2139 9.8350 9.8350 k = 0.0000 0.4595 0.1769 ( 7534 PWs) bands (ev): -8.2032 -8.2032 -8.1672 -8.1672 -8.1120 -8.1120 -8.0741 -8.0741 -3.4605 -3.4605 -3.4405 -3.4405 -3.1972 -3.1972 -3.1676 -3.1676 -1.9433 -1.9433 -1.9105 -1.9105 -1.6318 -1.6318 -1.5473 -1.5473 -1.4266 -1.4266 -1.3975 -1.3975 -0.9921 -0.9921 -0.7965 -0.7965 0.8924 0.8924 1.0775 1.0775 2.2818 2.2818 2.4038 2.4038 2.5548 2.5548 2.7012 2.7012 3.0566 3.0566 3.1536 3.1536 3.4422 3.4422 3.5335 3.5335 5.9496 5.9496 6.1932 6.1932 8.8374 8.8374 9.1577 9.1577 9.8666 9.8666 k = 0.0000 0.4730 0.1769 ( 7526 PWs) bands (ev): -8.1931 -8.1931 -8.1664 -8.1664 -8.1097 -8.1097 -8.0817 -8.0817 -3.4572 -3.4572 -3.4438 -3.4438 -3.1900 -3.1900 -3.1701 -3.1701 -1.9381 -1.9381 -1.9162 -1.9162 -1.6165 -1.6165 -1.5593 -1.5593 -1.4204 -1.4204 -1.4000 -1.4000 -0.9720 -0.9720 -0.8389 -0.8389 0.9149 0.9149 1.0389 1.0389 2.3103 2.3103 2.4034 2.4034 2.5548 2.5548 2.6638 2.6638 3.0791 3.0791 3.1462 3.1462 3.4481 3.4481 3.5117 3.5117 5.9890 5.9890 6.1523 6.1523 8.8845 8.8845 9.1005 9.1005 9.8956 9.8956 k = 0.0000 0.4865 0.1769 ( 7518 PWs) bands (ev): -8.1839 -8.1839 -8.1697 -8.1697 -8.1044 -8.1044 -8.0896 -8.0896 -3.4539 -3.4539 -3.4471 -3.4471 -3.1837 -3.1837 -3.1737 -3.1737 -1.9328 -1.9328 -1.9218 -1.9218 -1.6013 -1.6013 -1.5724 -1.5724 -1.4146 -1.4146 -1.4040 -1.4040 -0.9457 -0.9457 -0.8784 -0.8784 0.9409 0.9409 1.0031 1.0031 2.3388 2.3388 2.3891 2.3891 2.5703 2.5703 2.6284 2.6284 3.1000 3.1000 3.1343 3.1343 3.4589 3.4589 3.4916 3.4916 6.0292 6.0292 6.1112 6.1112 8.9350 8.9350 9.0437 9.0437 9.9214 9.9214 k = 0.0000 0.5000 0.1769 ( 7524 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1782 -3.1782 -3.1782 -3.1782 -1.9274 -1.9274 -1.9274 -1.9274 -1.5865 -1.5865 -1.5865 -1.5865 -1.4090 -1.4090 -1.4090 -1.4090 -0.9142 -0.9142 -0.9142 -0.9142 0.9704 0.9704 0.9704 0.9704 2.3660 2.3660 2.3660 2.3660 2.5964 2.5964 2.5964 2.5964 3.1187 3.1187 3.1187 3.1187 3.4737 3.4737 3.4737 3.4737 6.0700 6.0700 6.0700 6.0700 8.9882 8.9882 8.9882 8.9882 9.9434 9.9434 k = 0.0000 0.5000 0.1769 ( 7524 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1782 -3.1782 -3.1782 -3.1782 -1.9274 -1.9274 -1.9274 -1.9274 -1.5865 -1.5865 -1.5865 -1.5865 -1.4090 -1.4090 -1.4090 -1.4090 -0.9142 -0.9142 -0.9142 -0.9142 0.9704 0.9704 0.9704 0.9704 2.3660 2.3660 2.3660 2.3660 2.5964 2.5964 2.5964 2.5964 3.1187 3.1187 3.1187 3.1187 3.4737 3.4737 3.4737 3.4737 6.0700 6.0700 6.0700 6.0700 8.9882 8.9882 8.9882 8.9882 9.9434 9.9434 k = 0.0135 0.5000 0.1769 ( 7528 PWs) bands (ev): -8.1759 -8.1759 -8.1753 -8.1753 -8.0972 -8.0972 -8.0972 -8.0972 -3.4506 -3.4506 -3.4500 -3.4500 -3.1811 -3.1811 -3.1754 -3.1754 -1.9331 -1.9331 -1.9213 -1.9213 -1.5884 -1.5884 -1.5850 -1.5850 -1.4091 -1.4091 -1.4089 -1.4089 -0.9167 -0.9167 -0.9109 -0.9109 0.9709 0.9709 0.9720 0.9720 2.3593 2.3593 2.3680 2.3680 2.5796 2.5796 2.6080 2.6080 3.0968 3.0968 3.1382 3.1382 3.4704 3.4704 3.4728 3.4728 6.0592 6.0592 6.0869 6.0869 8.9728 8.9728 9.0045 9.0045 9.8878 9.8878 k = 0.0270 0.5000 0.1769 ( 7524 PWs) bands (ev): -8.1752 -8.1752 -8.1740 -8.1740 -8.0966 -8.0966 -8.0966 -8.0966 -3.4502 -3.4502 -3.4491 -3.4491 -3.1840 -3.1840 -3.1727 -3.1727 -1.9385 -1.9385 -1.9148 -1.9148 -1.5904 -1.5904 -1.5837 -1.5837 -1.4092 -1.4092 -1.4088 -1.4088 -0.9183 -0.9183 -0.9067 -0.9067 0.9732 0.9732 0.9754 0.9754 2.3474 2.3474 2.3653 2.3653 2.5590 2.5590 2.6135 2.6135 3.0737 3.0737 3.1547 3.1547 3.4629 3.4629 3.4679 3.4679 6.0544 6.0544 6.1094 6.1094 8.9585 8.9585 9.0210 9.0210 9.8321 9.8321 k = 0.0405 0.5000 0.1769 ( 7532 PWs) bands (ev): -8.1739 -8.1739 -8.1720 -8.1720 -8.0957 -8.0957 -8.0956 -8.0956 -3.4494 -3.4494 -3.4477 -3.4477 -3.1870 -3.1870 -3.1701 -3.1701 -1.9435 -1.9435 -1.9080 -1.9080 -1.5927 -1.5927 -1.5826 -1.5826 -1.4092 -1.4092 -1.4086 -1.4086 -0.9191 -0.9191 -0.9016 -0.9016 0.9775 0.9775 0.9808 0.9808 2.3297 2.3297 2.3576 2.3576 2.5360 2.5360 2.6124 2.6124 3.0506 3.0506 3.1674 3.1674 3.4513 3.4513 3.4589 3.4589 6.0555 6.0555 6.1368 6.1368 8.9451 8.9451 9.0362 9.0362 9.7791 9.7791 k = 0.0541 0.5000 0.1769 ( 7528 PWs) bands (ev): -8.1719 -8.1719 -8.1695 -8.1695 -8.0943 -8.0943 -8.0943 -8.0943 -3.4481 -3.4481 -3.4459 -3.4459 -3.1901 -3.1901 -3.1676 -3.1676 -1.9482 -1.9482 -1.9008 -1.9008 -1.5952 -1.5952 -1.5818 -1.5818 -1.4091 -1.4091 -1.4085 -1.4085 -0.9192 -0.9192 -0.8956 -0.8956 0.9837 0.9837 0.9881 0.9881 2.3052 2.3052 2.3442 2.3442 2.5125 2.5125 2.6051 2.6051 3.0284 3.0284 3.1761 3.1761 3.4358 3.4358 3.4463 3.4463 6.0622 6.0622 6.1683 6.1683 8.9320 8.9320 9.0482 9.0482 9.7316 9.7316 k = 0.0676 0.5000 0.1769 ( 7544 PWs) bands (ev): -8.1694 -8.1694 -8.1663 -8.1663 -8.0926 -8.0926 -8.0926 -8.0926 -3.4464 -3.4464 -3.4436 -3.4436 -3.1931 -3.1931 -3.1652 -3.1652 -1.9525 -1.9525 -1.8932 -1.8932 -1.5979 -1.5979 -1.5813 -1.5813 -1.4090 -1.4090 -1.4084 -1.4084 -0.9186 -0.9186 -0.8886 -0.8886 0.9917 0.9917 0.9972 0.9972 2.2732 2.2732 2.3239 2.3239 2.4896 2.4896 2.5926 2.5926 3.0077 3.0077 3.1807 3.1807 3.4166 3.4166 3.4302 3.4302 6.0738 6.0738 6.2030 6.2030 8.9187 8.9187 9.0542 9.0542 9.6928 9.6928 k = 0.0811 0.5000 0.1769 ( 7540 PWs) bands (ev): -8.1661 -8.1661 -8.1625 -8.1625 -8.0906 -8.0906 -8.0905 -8.0905 -3.4443 -3.4443 -3.4409 -3.4409 -3.1962 -3.1962 -3.1629 -3.1629 -1.9565 -1.9565 -1.8852 -1.8852 -1.6008 -1.6008 -1.5810 -1.5810 -1.4088 -1.4088 -1.4084 -1.4084 -0.9174 -0.9174 -0.8808 -0.8808 1.0016 1.0016 1.0082 1.0082 2.2339 2.2339 2.2958 2.2958 2.4682 2.4682 2.5766 2.5766 2.9885 2.9885 3.1812 3.1812 3.3941 3.3941 3.4111 3.4111 6.0894 6.0894 6.2397 6.2397 8.9042 8.9042 9.0514 9.0514 9.6654 9.6654 k = 0.0946 0.5000 0.1769 ( 7548 PWs) bands (ev): -8.1624 -8.1624 -8.1582 -8.1582 -8.0882 -8.0882 -8.0881 -8.0881 -3.4418 -3.4418 -3.4378 -3.4378 -3.1994 -3.1994 -3.1608 -3.1608 -1.9602 -1.9602 -1.8768 -1.8768 -1.6039 -1.6039 -1.5810 -1.5810 -1.4085 -1.4085 -1.4084 -1.4084 -0.9157 -0.9157 -0.8720 -0.8720 1.0132 1.0132 1.0209 1.0209 2.1879 2.1879 2.2589 2.2589 2.4481 2.4481 2.5591 2.5591 2.9703 2.9703 3.1778 3.1778 3.3686 3.3686 3.3894 3.3894 6.1083 6.1083 6.2772 6.2772 8.8879 8.8879 9.0378 9.0378 9.6510 9.6510 k = 0.1081 0.5000 0.1769 ( 7552 PWs) bands (ev): -8.1580 -8.1580 -8.1533 -8.1533 -8.0855 -8.0855 -8.0854 -8.0854 -3.4388 -3.4388 -3.4343 -3.4343 -3.2025 -3.2025 -3.1588 -3.1588 -1.9636 -1.9636 -1.8681 -1.8681 -1.6071 -1.6071 -1.5812 -1.5812 -1.4085 -1.4085 -1.4081 -1.4081 -0.9136 -0.9136 -0.8625 -0.8625 1.0264 1.0264 1.0355 1.0355 2.1363 2.1363 2.2134 2.2134 2.4291 2.4291 2.5416 2.5416 2.9525 2.9525 3.1707 3.1707 3.3404 3.3404 3.3655 3.3655 6.1294 6.1294 6.3146 6.3146 8.8693 8.8693 9.0133 9.0133 9.6486 9.6486 k = 0.1216 0.5000 0.1769 ( 7568 PWs) bands (ev): -8.1531 -8.1531 -8.1479 -8.1479 -8.0824 -8.0824 -8.0823 -8.0823 -3.4354 -3.4354 -3.4303 -3.4303 -3.2056 -3.2056 -3.1569 -3.1569 -1.9666 -1.9666 -1.8589 -1.8589 -1.6105 -1.6105 -1.5818 -1.5818 -1.4086 -1.4086 -1.4077 -1.4077 -0.9111 -0.9111 -0.8522 -0.8522 1.0413 1.0413 1.0516 1.0516 2.0804 2.0804 2.1599 2.1599 2.4106 2.4106 2.5248 2.5248 2.9343 2.9343 3.1602 3.1602 3.3099 3.3099 3.3398 3.3398 6.1519 6.1519 6.3506 6.3506 8.8481 8.8481 8.9794 8.9794 9.6547 9.6547 k = 0.1351 0.5000 0.1769 ( 7548 PWs) bands (ev): -8.1477 -8.1477 -8.1421 -8.1421 -8.0791 -8.0791 -8.0790 -8.0790 -3.4316 -3.4316 -3.4259 -3.4259 -3.2087 -3.2087 -3.1552 -3.1552 -1.9693 -1.9693 -1.8493 -1.8493 -1.6140 -1.6140 -1.5826 -1.5826 -1.4089 -1.4089 -1.4072 -1.4072 -0.9084 -0.9084 -0.8411 -0.8411 1.0575 1.0575 1.0694 1.0694 2.0214 2.0214 2.0997 2.0997 2.3920 2.3920 2.5088 2.5088 2.9151 2.9151 3.1464 3.1464 3.2776 3.2776 3.3128 3.3128 6.1749 6.1749 6.3845 6.3845 8.8245 8.8245 8.9390 8.9390 9.6644 9.6644 k = 0.1486 0.5000 0.1769 ( 7544 PWs) bands (ev): -8.1418 -8.1418 -8.1357 -8.1357 -8.0755 -8.0755 -8.0754 -8.0754 -3.4275 -3.4275 -3.4212 -3.4212 -3.2118 -3.2118 -3.1536 -3.1536 -1.9716 -1.9716 -1.8394 -1.8394 -1.6176 -1.6176 -1.5837 -1.5837 -1.4092 -1.4092 -1.4067 -1.4067 -0.9056 -0.9056 -0.8295 -0.8295 1.0751 1.0751 1.0888 1.0888 1.9607 1.9607 2.0344 2.0344 2.3730 2.3730 2.4934 2.4934 2.8944 2.8944 3.1297 3.1297 3.2439 3.2439 3.2849 3.2849 6.1977 6.1977 6.4153 6.4153 8.7989 8.7989 8.8946 8.8946 9.6720 9.6720 k = 0.1622 0.5000 0.1769 ( 7544 PWs) bands (ev): -8.1355 -8.1355 -8.1291 -8.1291 -8.0717 -8.0717 -8.0716 -8.0716 -3.4229 -3.4229 -3.4159 -3.4159 -3.2149 -3.2149 -3.1522 -3.1522 -1.9735 -1.9735 -1.8292 -1.8292 -1.6212 -1.6212 -1.5851 -1.5851 -1.4098 -1.4098 -1.4062 -1.4062 -0.9027 -0.9027 -0.8173 -0.8173 1.0937 1.0937 1.1095 1.1095 1.8992 1.8992 1.9654 1.9654 2.3534 2.3534 2.4782 2.4782 2.8719 2.8719 3.1100 3.1100 3.2092 3.2092 3.2563 3.2563 6.2197 6.2197 6.4426 6.4426 8.7720 8.7720 8.8486 8.8486 9.6725 9.6725 k = 0.1757 0.5000 0.1769 ( 7544 PWs) bands (ev): -8.1288 -8.1288 -8.1220 -8.1220 -8.0677 -8.0677 -8.0675 -8.0675 -3.4180 -3.4180 -3.4103 -3.4103 -3.2179 -3.2179 -3.1509 -3.1509 -1.9751 -1.9751 -1.8186 -1.8186 -1.6249 -1.6249 -1.5867 -1.5867 -1.4105 -1.4105 -1.4056 -1.4056 -0.9000 -0.9000 -0.8048 -0.8048 1.1130 1.1130 1.1317 1.1317 1.8381 1.8381 1.8942 1.8942 2.3329 2.3329 2.4627 2.4627 2.8476 2.8476 3.0877 3.0877 3.1740 3.1740 3.2273 3.2273 6.2403 6.2403 6.4660 6.4660 8.7445 8.7445 8.8027 8.8027 9.6622 9.6622 k = 0.1892 0.5000 0.1769 ( 7540 PWs) bands (ev): -8.1217 -8.1217 -8.1147 -8.1147 -8.0634 -8.0634 -8.0633 -8.0633 -3.4128 -3.4128 -3.4043 -3.4043 -3.2209 -3.2209 -3.1498 -3.1498 -1.9762 -1.9762 -1.8077 -1.8077 -1.6286 -1.6286 -1.5886 -1.5886 -1.4114 -1.4114 -1.4050 -1.4050 -0.8974 -0.8974 -0.7921 -0.7921 1.1327 1.1327 1.1550 1.1550 1.7785 1.7785 1.8219 1.8219 2.3114 2.3114 2.4467 2.4467 2.8215 2.8215 3.0626 3.0626 3.1385 3.1385 3.1980 3.1980 6.2594 6.2594 6.4853 6.4853 8.7170 8.7170 8.7580 8.7580 9.6395 9.6395 k = 0.2027 0.5000 0.1769 ( 7536 PWs) bands (ev): -8.1144 -8.1144 -8.1071 -8.1071 -8.0590 -8.0590 -8.0589 -8.0589 -3.4073 -3.4073 -3.3979 -3.3979 -3.2238 -3.2238 -3.1489 -3.1489 -1.9768 -1.9768 -1.7967 -1.7967 -1.6322 -1.6322 -1.5908 -1.5908 -1.4125 -1.4125 -1.4045 -1.4045 -0.8951 -0.8951 -0.7793 -0.7793 1.1522 1.1522 1.1794 1.1794 1.7216 1.7216 1.7496 1.7496 2.2890 2.2890 2.4299 2.4299 2.7940 2.7940 3.0350 3.0350 3.1033 3.1033 3.1684 3.1684 6.2766 6.2766 6.5005 6.5005 8.6902 8.6902 8.7155 8.7155 9.6046 9.6046 k = 0.2162 0.5000 0.1769 ( 7532 PWs) bands (ev): -8.1068 -8.1068 -8.0993 -8.0993 -8.0545 -8.0545 -8.0544 -8.0544 -3.4016 -3.4016 -3.3910 -3.3910 -3.2267 -3.2267 -3.1481 -3.1481 -1.9770 -1.9770 -1.7854 -1.7854 -1.6358 -1.6358 -1.5931 -1.5931 -1.4140 -1.4140 -1.4040 -1.4040 -0.8931 -0.8931 -0.7666 -0.7666 1.1706 1.1706 1.2047 1.2047 1.6687 1.6687 1.6783 1.6783 2.2657 2.2657 2.4122 2.4122 2.7652 2.7652 3.0047 3.0047 3.0686 3.0686 3.1384 3.1384 6.2919 6.2919 6.5118 6.5118 8.6647 8.6647 8.6757 8.6757 9.5590 9.5590 k = 0.2297 0.5000 0.1769 ( 7516 PWs) bands (ev): -8.0990 -8.0990 -8.0913 -8.0913 -8.0499 -8.0499 -8.0497 -8.0497 -3.3956 -3.3956 -3.3838 -3.3838 -3.2296 -3.2296 -3.1476 -3.1476 -1.9766 -1.9766 -1.7740 -1.7740 -1.6392 -1.6392 -1.5957 -1.5957 -1.4158 -1.4158 -1.4036 -1.4036 -0.8916 -0.8916 -0.7543 -0.7543 1.1869 1.1869 1.2305 1.2305 1.6091 1.6091 1.6214 1.6214 2.2417 2.2417 2.3932 2.3932 2.7357 2.7357 2.9720 2.9720 3.0346 3.0346 3.1080 3.1080 6.3054 6.3054 6.5196 6.5196 8.6389 8.6389 8.6406 8.6406 9.5050 9.5050 k = 0.2432 0.5000 0.1769 ( 7512 PWs) bands (ev): -8.0911 -8.0911 -8.0833 -8.0833 -8.0452 -8.0452 -8.0451 -8.0451 -3.3894 -3.3894 -3.3763 -3.3763 -3.2324 -3.2324 -3.1472 -3.1472 -1.9756 -1.9756 -1.7626 -1.7626 -1.6426 -1.6426 -1.5984 -1.5984 -1.4181 -1.4181 -1.4033 -1.4033 -0.8906 -0.8906 -0.7426 -0.7426 1.1995 1.1995 1.2562 1.2562 1.5430 1.5430 1.5818 1.5818 2.2170 2.2170 2.3731 2.3731 2.7059 2.7059 2.9370 2.9370 3.0014 3.0014 3.0772 3.0772 6.3172 6.3172 6.5241 6.5241 8.6053 8.6053 8.6183 8.6183 9.4447 9.4447 k = 0.2568 0.5000 0.1769 ( 7512 PWs) bands (ev): -8.0831 -8.0831 -8.0753 -8.0753 -8.0405 -8.0405 -8.0403 -8.0403 -3.3830 -3.3830 -3.3683 -3.3683 -3.2351 -3.2351 -3.1470 -3.1470 -1.9739 -1.9739 -1.7513 -1.7513 -1.6458 -1.6458 -1.6013 -1.6013 -1.4207 -1.4207 -1.4031 -1.4031 -0.8900 -0.8900 -0.7317 -0.7317 1.2063 1.2063 1.2804 1.2804 1.4822 1.4822 1.5520 1.5520 2.1920 2.1920 2.3517 2.3517 2.6760 2.6760 2.9000 2.9000 2.9689 2.9689 3.0457 3.0457 6.3276 6.3276 6.5260 6.5260 8.5751 8.5751 8.5978 8.5978 9.3802 9.3803 k = 0.2703 0.5000 0.1769 ( 7512 PWs) bands (ev): -8.0750 -8.0750 -8.0673 -8.0673 -8.0358 -8.0358 -8.0356 -8.0356 -3.3766 -3.3766 -3.3601 -3.3601 -3.2378 -3.2378 -3.1471 -3.1471 -1.9716 -1.9716 -1.7401 -1.7401 -1.6488 -1.6488 -1.6044 -1.6044 -1.4238 -1.4238 -1.4030 -1.4030 -0.8900 -0.8900 -0.7219 -0.7219 1.2058 1.2058 1.2984 1.2984 1.4317 1.4317 1.5340 1.5340 2.1668 2.1668 2.3292 2.3292 2.6467 2.6467 2.8615 2.8615 2.9371 2.9371 3.0134 3.0134 6.3367 6.3367 6.5258 6.5258 8.5480 8.5480 8.5792 8.5792 9.3034 9.3034 k = 0.2838 0.5000 0.1769 ( 7504 PWs) bands (ev): -8.0670 -8.0670 -8.0593 -8.0593 -8.0311 -8.0311 -8.0309 -8.0309 -3.3700 -3.3700 -3.3515 -3.3515 -3.2405 -3.2405 -3.1473 -3.1473 -1.9685 -1.9685 -1.7293 -1.7293 -1.6516 -1.6516 -1.6076 -1.6076 -1.4275 -1.4275 -1.4031 -1.4031 -0.8903 -0.8903 -0.7134 -0.7134 1.1974 1.1974 1.2965 1.2965 1.4055 1.4055 1.5284 1.5284 2.1417 2.1417 2.3055 2.3055 2.6181 2.6181 2.8218 2.8218 2.9057 2.9057 2.9804 2.9804 6.3448 6.3448 6.5238 6.5238 8.5241 8.5241 8.5624 8.5624 9.2283 9.2283 k = 0.2973 0.5000 0.1769 ( 7504 PWs) bands (ev): -8.0591 -8.0591 -8.0515 -8.0515 -8.0265 -8.0265 -8.0263 -8.0263 -3.3634 -3.3634 -3.3426 -3.3426 -3.2431 -3.2431 -3.1479 -3.1479 -1.9646 -1.9646 -1.7189 -1.7189 -1.6542 -1.6542 -1.6110 -1.6110 -1.4316 -1.4316 -1.4034 -1.4034 -0.8910 -0.8910 -0.7064 -0.7064 1.1826 1.1826 1.2663 1.2663 1.4123 1.4123 1.5337 1.5337 2.1170 2.1170 2.2808 2.2808 2.5907 2.5907 2.7811 2.7811 2.8748 2.8748 2.9467 2.9467 6.3522 6.3522 6.5206 6.5206 8.5031 8.5031 8.5473 8.5473 9.1552 9.1552 k = 0.3108 0.5000 0.1769 ( 7496 PWs) bands (ev): -8.0514 -8.0514 -8.0440 -8.0440 -8.0220 -8.0220 -8.0218 -8.0218 -3.3569 -3.3569 -3.3335 -3.3335 -3.2456 -3.2456 -3.1487 -3.1487 -1.9598 -1.9598 -1.7092 -1.7092 -1.6566 -1.6566 -1.6145 -1.6145 -1.4361 -1.4361 -1.4039 -1.4039 -0.8918 -0.8918 -0.7013 -0.7013 1.1637 1.1637 1.2253 1.2253 1.4350 1.4350 1.5476 1.5476 2.0931 2.0931 2.2552 2.2552 2.5648 2.5648 2.7400 2.7400 2.8444 2.8444 2.9121 2.9121 6.3592 6.3592 6.5166 6.5166 8.4850 8.4850 8.5337 8.5337 9.0847 9.0847 k = 0.3243 0.5000 0.1769 ( 7496 PWs) bands (ev): -8.0438 -8.0438 -8.0366 -8.0366 -8.0177 -8.0177 -8.0175 -8.0175 -3.3504 -3.3504 -3.3241 -3.3241 -3.2482 -3.2482 -3.1497 -3.1497 -1.9540 -1.9540 -1.7004 -1.7004 -1.6588 -1.6588 -1.6181 -1.6181 -1.4409 -1.4409 -1.4047 -1.4047 -0.8927 -0.8927 -0.6982 -0.6982 1.1431 1.1431 1.1843 1.1843 1.4629 1.4629 1.5673 1.5673 2.0703 2.0703 2.2289 2.2289 2.5406 2.5406 2.6986 2.6986 2.8143 2.8143 2.8769 2.8769 6.3659 6.3659 6.5121 6.5121 8.4693 8.4693 8.5213 8.5213 9.0176 9.0176 k = 0.3378 0.5000 0.1769 ( 7492 PWs) bands (ev): -8.0365 -8.0365 -8.0297 -8.0297 -8.0135 -8.0135 -8.0133 -8.0133 -3.3440 -3.3440 -3.3146 -3.3146 -3.2507 -3.2507 -3.1511 -3.1511 -1.9472 -1.9472 -1.6927 -1.6927 -1.6607 -1.6607 -1.6221 -1.6221 -1.4459 -1.4459 -1.4057 -1.4057 -0.8933 -0.8933 -0.6973 -0.6973 1.1227 1.1227 1.1465 1.1465 1.4928 1.4928 1.5909 1.5909 2.0487 2.0487 2.2021 2.2021 2.5184 2.5184 2.6575 2.6575 2.7846 2.7846 2.8410 2.8410 6.3726 6.3726 6.5074 6.5074 8.4558 8.4558 8.5099 8.5099 8.9543 8.9543 k = 0.3514 0.5000 0.1769 ( 7488 PWs) bands (ev): -8.0296 -8.0296 -8.0230 -8.0230 -8.0095 -8.0095 -8.0093 -8.0093 -3.3377 -3.3377 -3.3049 -3.3049 -3.2532 -3.2532 -3.1529 -3.1529 -1.9393 -1.9393 -1.6864 -1.6864 -1.6623 -1.6623 -1.6263 -1.6263 -1.4507 -1.4507 -1.4069 -1.4069 -0.8935 -0.8935 -0.6986 -0.6986 1.1034 1.1034 1.1130 1.1130 1.5236 1.5236 1.6168 1.6168 2.0286 2.0286 2.1748 2.1748 2.4985 2.4985 2.6172 2.6172 2.7554 2.7554 2.8045 2.8045 6.3793 6.3793 6.5028 6.5028 8.4443 8.4443 8.4991 8.4991 8.8955 8.8955 k = 0.3649 0.5000 0.1769 ( 7476 PWs) bands (ev): -8.0230 -8.0230 -8.0168 -8.0168 -8.0057 -8.0057 -8.0055 -8.0055 -3.3316 -3.3316 -3.2951 -3.2951 -3.2557 -3.2557 -3.1550 -3.1550 -1.9303 -1.9303 -1.6817 -1.6817 -1.6637 -1.6637 -1.6310 -1.6310 -1.4551 -1.4551 -1.4084 -1.4084 -0.8929 -0.8929 -0.7021 -0.7021 1.0841 1.0841 1.0859 1.0859 1.5549 1.5549 1.6439 1.6439 2.0103 2.0103 2.1473 2.1473 2.4811 2.4811 2.5783 2.5783 2.7265 2.7265 2.7678 2.7678 6.3861 6.3861 6.4982 6.4982 8.4344 8.4344 8.4885 8.4885 8.8419 8.8419 k = 0.3784 0.5000 0.1769 ( 7472 PWs) bands (ev): -8.0168 -8.0168 -8.0111 -8.0111 -8.0022 -8.0022 -8.0020 -8.0020 -3.3258 -3.3258 -3.2852 -3.2852 -3.2581 -3.2581 -3.1576 -3.1576 -1.9202 -1.9202 -1.6791 -1.6791 -1.6648 -1.6648 -1.6362 -1.6362 -1.4587 -1.4587 -1.4103 -1.4103 -0.8915 -0.8915 -0.7078 -0.7078 1.0598 1.0598 1.0704 1.0704 1.5862 1.5862 1.6713 1.6713 1.9937 1.9937 2.1196 2.1196 2.4667 2.4667 2.5415 2.5415 2.6982 2.6982 2.7308 2.7308 6.3932 6.3932 6.4939 6.4939 8.4256 8.4256 8.4777 8.4777 8.7939 8.7940 k = 0.3919 0.5000 0.1769 ( 7472 PWs) bands (ev): -8.0111 -8.0111 -8.0060 -8.0060 -7.9989 -7.9989 -7.9987 -7.9987 -3.3201 -3.3201 -3.2755 -3.2755 -3.2606 -3.2606 -3.1606 -3.1606 -1.9088 -1.9088 -1.6789 -1.6789 -1.6656 -1.6656 -1.6416 -1.6416 -1.4612 -1.4612 -1.4125 -1.4125 -0.8889 -0.8889 -0.7157 -0.7157 1.0401 1.0401 1.0569 1.0569 1.6175 1.6175 1.6984 1.6984 1.9787 1.9787 2.0918 2.0918 2.4553 2.4553 2.5076 2.5076 2.6704 2.6704 2.6939 2.6939 6.4004 6.4004 6.4898 6.4898 8.4178 8.4178 8.4663 8.4663 8.7522 8.7522 k = 0.4054 0.5000 0.1769 ( 7488 PWs) bands (ev): -8.0060 -8.0060 -8.0014 -8.0014 -7.9960 -7.9960 -7.9958 -7.9958 -3.3147 -3.3147 -3.2666 -3.2666 -3.2622 -3.2622 -3.1641 -3.1641 -1.8963 -1.8963 -1.6819 -1.6819 -1.6662 -1.6662 -1.6469 -1.6469 -1.4623 -1.4623 -1.4150 -1.4150 -0.8851 -0.8851 -0.7253 -0.7253 1.0247 1.0247 1.0454 1.0454 1.6485 1.6485 1.7248 1.7248 1.9650 1.9650 2.0642 2.0642 2.4472 2.4472 2.4775 2.4775 2.6432 2.6432 2.6574 2.6574 6.4077 6.4077 6.4859 6.4859 8.4105 8.4105 8.4541 8.4541 8.7171 8.7171 k = 0.4189 0.5000 0.1769 ( 7488 PWs) bands (ev): -8.0014 -8.0014 -7.9975 -7.9975 -7.9933 -7.9933 -7.9932 -7.9932 -3.3096 -3.3096 -3.2664 -3.2664 -3.2554 -3.2554 -3.1681 -3.1681 -1.8825 -1.8825 -1.6886 -1.6886 -1.6665 -1.6665 -1.6512 -1.6512 -1.4620 -1.4620 -1.4178 -1.4178 -0.8798 -0.8798 -0.7366 -0.7366 1.0132 1.0132 1.0355 1.0355 1.6792 1.6792 1.7500 1.7500 1.9520 1.9520 2.0369 2.0369 2.4425 2.4425 2.4524 2.4524 2.6169 2.6169 2.6214 2.6214 6.4151 6.4151 6.4820 6.4820 8.4035 8.4035 8.4412 8.4412 8.6886 8.6886 k = 0.4324 0.5000 0.1769 ( 7480 PWs) bands (ev): -7.9975 -7.9975 -7.9943 -7.9943 -7.9909 -7.9909 -7.9908 -7.9908 -3.3047 -3.3047 -3.2690 -3.2690 -3.2460 -3.2460 -3.1726 -3.1726 -1.8677 -1.8677 -1.6990 -1.6990 -1.6665 -1.6665 -1.6544 -1.6544 -1.4604 -1.4604 -1.4210 -1.4210 -0.8731 -0.8731 -0.7492 -0.7492 1.0051 1.0051 1.0271 1.0271 1.7094 1.7094 1.7740 1.7740 1.9391 1.9391 2.0100 2.0100 2.4333 2.4333 2.4413 2.4413 2.5865 2.5865 2.5914 2.5914 6.4224 6.4224 6.4782 6.4782 8.3969 8.3969 8.4279 8.4279 8.6664 8.6664 k = 0.4459 0.5000 0.1769 ( 7492 PWs) bands (ev): -7.9943 -7.9943 -7.9918 -7.9918 -7.9889 -7.9889 -7.9887 -7.9887 -3.3001 -3.3001 -3.2717 -3.2717 -3.2368 -3.2368 -3.1777 -3.1777 -1.8518 -1.8518 -1.7124 -1.7124 -1.6663 -1.6663 -1.6568 -1.6568 -1.4578 -1.4578 -1.4245 -1.4245 -0.8650 -0.8650 -0.7627 -0.7627 1.0001 1.0001 1.0199 1.0199 1.7390 1.7390 1.7969 1.7969 1.9253 1.9253 1.9836 1.9836 2.4210 2.4210 2.4435 2.4435 2.5530 2.5530 2.5672 2.5672 6.4297 6.4297 6.4742 6.4742 8.3909 8.3909 8.4150 8.4150 8.6498 8.6498 k = 0.4595 0.5000 0.1769 ( 7492 PWs) bands (ev): -7.9917 -7.9917 -7.9900 -7.9900 -7.9873 -7.9873 -7.9869 -7.9869 -3.2958 -3.2958 -3.2746 -3.2746 -3.2279 -3.2279 -3.1833 -3.1833 -1.8351 -1.8351 -1.7280 -1.7280 -1.6659 -1.6659 -1.6588 -1.6588 -1.4543 -1.4543 -1.4283 -1.4283 -0.8553 -0.8553 -0.7768 -0.7768 0.9975 0.9975 1.0138 1.0138 1.7678 1.7678 1.8188 1.8188 1.9098 1.9098 1.9581 1.9581 2.4161 2.4161 2.4490 2.4490 2.5217 2.5217 2.5443 2.5443 6.4366 6.4366 6.4701 6.4701 8.3859 8.3859 8.4034 8.4034 8.6381 8.6381 k = 0.4730 0.5000 0.1769 ( 7488 PWs) bands (ev): -7.9898 -7.9898 -7.9888 -7.9888 -7.9860 -7.9860 -7.9857 -7.9857 -3.2917 -3.2917 -3.2777 -3.2777 -3.2193 -3.2193 -3.1895 -3.1895 -1.8175 -1.8175 -1.7450 -1.7450 -1.6652 -1.6652 -1.6605 -1.6605 -1.4502 -1.4502 -1.4325 -1.4325 -0.8444 -0.8444 -0.7912 -0.7912 0.9970 0.9970 1.0085 1.0085 1.7955 1.7955 1.8400 1.8400 1.8925 1.8925 1.9334 1.9334 2.4186 2.4186 2.4570 2.4570 2.4937 2.4937 2.5231 2.5231 6.4433 6.4433 6.4656 6.4656 8.3825 8.3825 8.3937 8.3937 8.6304 8.6322 k = 0.4865 0.5000 0.1769 ( 7488 PWs) bands (ev): -7.9887 -7.9887 -7.9882 -7.9882 -7.9851 -7.9851 -7.9849 -7.9849 -3.2879 -3.2879 -3.2809 -3.2809 -3.2112 -3.2112 -3.1962 -3.1962 -1.7995 -1.7995 -1.7628 -1.7628 -1.6643 -1.6643 -1.6619 -1.6619 -1.4458 -1.4458 -1.4368 -1.4368 -0.8323 -0.8323 -0.8054 -0.8054 0.9981 0.9981 1.0041 1.0041 1.8217 1.8217 1.8573 1.8573 1.8766 1.8766 1.9099 1.9099 2.4281 2.4281 2.4601 2.4601 2.4771 2.4771 2.5039 2.5039 6.4496 6.4496 6.4607 6.4607 8.3812 8.3812 8.3867 8.3867 8.6266 8.6268 k = 0.5000 0.5000 0.1769 ( 7488 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2843 -3.2843 -3.2843 -3.2843 -3.2034 -3.2034 -3.2034 -3.2034 -1.7811 -1.7811 -1.7811 -1.7811 -1.6632 -1.6632 -1.6632 -1.6632 -1.4413 -1.4413 -1.4413 -1.4413 -0.8192 -0.8192 -0.8192 -0.8192 1.0006 1.0006 1.0006 1.0006 1.8455 1.8455 1.8455 1.8455 1.8879 1.8879 1.8879 1.8879 2.4433 2.4433 2.4433 2.4433 2.4873 2.4873 2.4873 2.4873 6.4554 6.4554 6.4554 6.4554 8.3825 8.3825 8.3825 8.3825 8.6256 8.6256 k = 0.5000 0.5000 0.1769 ( 7488 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2843 -3.2843 -3.2843 -3.2843 -3.2034 -3.2034 -3.2034 -3.2034 -1.7811 -1.7811 -1.7811 -1.7811 -1.6632 -1.6632 -1.6632 -1.6632 -1.4413 -1.4413 -1.4413 -1.4413 -0.8192 -0.8192 -0.8192 -0.8192 1.0006 1.0006 1.0006 1.0006 1.8455 1.8455 1.8455 1.8455 1.8879 1.8879 1.8879 1.8879 2.4433 2.4433 2.4433 2.4433 2.4873 2.4873 2.4873 2.4873 6.4554 6.4554 6.4554 6.4554 8.3825 8.3825 8.3825 8.3825 8.6256 8.6256 k = 0.4902 0.4902 0.1769 ( 7492 PWs) bands (ev): -7.9887 -7.9887 -7.9883 -7.9883 -7.9851 -7.9851 -7.9849 -7.9849 -3.2880 -3.2880 -3.2808 -3.2808 -3.2114 -3.2114 -3.1960 -3.1960 -1.7999 -1.7999 -1.7624 -1.7624 -1.6642 -1.6642 -1.6619 -1.6619 -1.4459 -1.4459 -1.4367 -1.4367 -0.8326 -0.8326 -0.8050 -0.8050 0.9981 0.9981 1.0042 1.0042 1.8199 1.8199 1.8645 1.8645 1.8698 1.8698 1.9112 1.9112 2.4273 2.4273 2.4629 2.4629 2.4745 2.4745 2.5049 2.5049 6.4494 6.4494 6.4609 6.4609 8.3812 8.3812 8.3868 8.3868 8.6264 8.6268 k = 0.4804 0.4804 0.1769 ( 7490 PWs) bands (ev): -7.9900 -7.9900 -7.9894 -7.9894 -7.9857 -7.9857 -7.9856 -7.9856 -3.2919 -3.2919 -3.2776 -3.2776 -3.2197 -3.2197 -3.1892 -3.1892 -1.8184 -1.8184 -1.7444 -1.7444 -1.6644 -1.6644 -1.6608 -1.6608 -1.4505 -1.4505 -1.4322 -1.4322 -0.8452 -0.8452 -0.7901 -0.7901 0.9967 0.9967 1.0088 1.0088 1.7893 1.7893 1.8566 1.8566 1.8783 1.8783 1.9370 1.9370 2.4157 2.4157 2.4666 2.4666 2.4848 2.4848 2.5270 2.5270 6.4430 6.4430 6.4659 6.4659 8.3830 8.3830 8.3942 8.3942 8.6308 8.6309 k = 0.4706 0.4706 0.1769 ( 7482 PWs) bands (ev): -7.9922 -7.9922 -7.9918 -7.9918 -7.9864 -7.9864 -7.9861 -7.9861 -3.2960 -3.2960 -3.2746 -3.2746 -3.2285 -3.2285 -3.1830 -3.1830 -1.8361 -1.8361 -1.7285 -1.7285 -1.6627 -1.6627 -1.6601 -1.6601 -1.4549 -1.4549 -1.4280 -1.4280 -0.8568 -0.8568 -0.7747 -0.7747 0.9967 0.9967 1.0144 1.0144 1.7563 1.7563 1.8469 1.8469 1.8881 1.8881 1.9631 1.9631 2.4091 2.4091 2.4640 2.4640 2.5085 2.5085 2.5531 2.5531 6.4361 6.4361 6.4707 6.4707 8.3877 8.3877 8.4045 8.4045 8.6386 8.6386 k = 0.4608 0.4608 0.1769 ( 7480 PWs) bands (ev): -7.9956 -7.9956 -7.9954 -7.9954 -7.9872 -7.9872 -7.9865 -7.9865 -3.3003 -3.3003 -3.2719 -3.2719 -3.2375 -3.2375 -3.1775 -3.1775 -1.8531 -1.8531 -1.7164 -1.7164 -1.6599 -1.6599 -1.6574 -1.6574 -1.4590 -1.4590 -1.4240 -1.4240 -0.8672 -0.8672 -0.7587 -0.7587 0.9980 0.9980 1.0207 1.0207 1.7227 1.7227 1.8400 1.8400 1.8940 1.8940 1.9887 1.9887 2.4074 2.4074 2.4674 2.4674 2.5337 2.5337 2.5824 2.5824 6.4289 6.4289 6.4754 6.4754 8.3952 8.3952 8.4178 8.4178 8.6497 8.6498 k = 0.4510 0.4510 0.1769 ( 7486 PWs) bands (ev): -8.0002 -8.0002 -8.0002 -8.0002 -7.9880 -7.9880 -7.9868 -7.9868 -3.3048 -3.3048 -3.2695 -3.2695 -3.2466 -3.2466 -3.1727 -3.1727 -1.8690 -1.8690 -1.7096 -1.7096 -1.6604 -1.6604 -1.6473 -1.6473 -1.4627 -1.4627 -1.4204 -1.4204 -0.8764 -0.8764 -0.7423 -0.7423 1.0008 1.0008 1.0278 1.0278 1.6896 1.6896 1.8356 1.8356 1.8958 1.8958 2.0140 2.0140 2.4098 2.4098 2.4772 2.4772 2.5605 2.5605 2.6140 2.6140 6.4217 6.4217 6.4802 6.4802 8.4054 8.4054 8.4338 8.4338 8.6641 8.6641 k = 0.4412 0.4412 0.1769 ( 7482 PWs) bands (ev): -8.0060 -8.0060 -8.0059 -8.0059 -7.9888 -7.9888 -7.9872 -7.9872 -3.3095 -3.3095 -3.2675 -3.2675 -3.2559 -3.2559 -3.1687 -3.1687 -1.8838 -1.8838 -1.7073 -1.7073 -1.6616 -1.6616 -1.6333 -1.6333 -1.4659 -1.4659 -1.4172 -1.4172 -0.8841 -0.8841 -0.7255 -0.7255 1.0051 1.0051 1.0354 1.0354 1.6578 1.6578 1.8338 1.8338 1.8937 1.8937 2.0395 2.0395 2.4155 2.4155 2.4935 2.4935 2.5888 2.5888 2.6472 2.6472 6.4146 6.4146 6.4855 6.4855 8.4183 8.4183 8.4525 8.4525 8.6816 8.6816 k = 0.4314 0.4314 0.1769 ( 7498 PWs) bands (ev): -8.0129 -8.0129 -8.0126 -8.0126 -7.9897 -7.9897 -7.9877 -7.9877 -3.3144 -3.3144 -3.2658 -3.2658 -3.2651 -3.2651 -3.1654 -3.1654 -1.8975 -1.8975 -1.7077 -1.7077 -1.6636 -1.6636 -1.6176 -1.6176 -1.4686 -1.4686 -1.4144 -1.4144 -0.8901 -0.8901 -0.7084 -0.7084 1.0110 1.0110 1.0435 1.0435 1.6279 1.6279 1.8344 1.8344 1.8886 1.8886 2.0652 2.0652 2.4243 2.4243 2.5154 2.5154 2.6185 2.6185 2.6814 2.6814 6.4079 6.4079 6.4914 6.4914 8.4336 8.4336 8.4738 8.4738 8.7019 8.7020 k = 0.4216 0.4216 0.1769 ( 7490 PWs) bands (ev): -8.0207 -8.0207 -8.0202 -8.0202 -7.9907 -7.9907 -7.9883 -7.9883 -3.3197 -3.3197 -3.2741 -3.2741 -3.2646 -3.2646 -3.1629 -3.1629 -1.9099 -1.9099 -1.7096 -1.7096 -1.6664 -1.6664 -1.6016 -1.6016 -1.4708 -1.4708 -1.4122 -1.4122 -0.8943 -0.8943 -0.6911 -0.6911 1.0185 1.0185 1.0519 1.0519 1.6006 1.6006 1.8374 1.8374 1.8813 1.8813 2.0912 2.0912 2.4360 2.4360 2.5417 2.5417 2.6494 2.6494 2.7162 2.7162 6.4017 6.4017 6.4983 6.4983 8.4511 8.4511 8.4973 8.4973 8.7251 8.7251 k = 0.4118 0.4118 0.1769 ( 7482 PWs) bands (ev): -8.0294 -8.0294 -8.0289 -8.0289 -7.9917 -7.9917 -7.9890 -7.9890 -3.3253 -3.3253 -3.2828 -3.2828 -3.2639 -3.2639 -3.1612 -3.1612 -1.9212 -1.9212 -1.7123 -1.7123 -1.6700 -1.6700 -1.5864 -1.5864 -1.4725 -1.4725 -1.4104 -1.4104 -0.8964 -0.8964 -0.6735 -0.6735 1.0277 1.0277 1.0607 1.0607 1.5762 1.5762 1.8428 1.8428 1.8731 1.8731 2.1171 2.1171 2.4509 2.4509 2.5712 2.5712 2.6808 2.6808 2.7518 2.7518 6.3965 6.3965 6.5063 6.5063 8.4708 8.4708 8.5230 8.5230 8.7506 8.7506 k = 0.4020 0.4020 0.1769 ( 7480 PWs) bands (ev): -8.0390 -8.0390 -8.0384 -8.0384 -7.9928 -7.9928 -7.9898 -7.9898 -3.3314 -3.3314 -3.2910 -3.2910 -3.2637 -3.2637 -3.1601 -3.1601 -1.9312 -1.9312 -1.7154 -1.7154 -1.6744 -1.6744 -1.5725 -1.5725 -1.4736 -1.4736 -1.4091 -1.4091 -0.8962 -0.8962 -0.6557 -0.6557 1.0387 1.0387 1.0696 1.0696 1.5553 1.5553 1.8505 1.8505 1.8647 1.8647 2.1429 2.1429 2.4690 2.4690 2.6027 2.6027 2.7122 2.7122 2.7882 2.7882 6.3923 6.3923 6.5155 6.5155 8.4924 8.4924 8.5506 8.5506 8.7785 8.7785 k = 0.3922 0.3922 0.1769 ( 7496 PWs) bands (ev): -8.0495 -8.0495 -8.0488 -8.0488 -7.9940 -7.9940 -7.9908 -7.9908 -3.3380 -3.3380 -3.2986 -3.2986 -3.2640 -3.2640 -3.1597 -3.1597 -1.9401 -1.9401 -1.7188 -1.7188 -1.6794 -1.6794 -1.5603 -1.5603 -1.4744 -1.4744 -1.4085 -1.4085 -0.8936 -0.8936 -0.6377 -0.6377 1.0516 1.0516 1.0787 1.0787 1.5381 1.5381 1.8570 1.8570 1.8604 1.8604 2.1682 2.1682 2.4903 2.4903 2.6355 2.6355 2.7428 2.7428 2.8259 2.8259 6.3892 6.3892 6.5261 6.5261 8.5159 8.5159 8.5799 8.5799 8.8085 8.8085 k = 0.3824 0.3824 0.1769 ( 7496 PWs) bands (ev): -8.0608 -8.0608 -8.0600 -8.0600 -7.9953 -7.9953 -7.9918 -7.9918 -3.3450 -3.3450 -3.3056 -3.3056 -3.2649 -3.2649 -3.1599 -3.1599 -1.9478 -1.9478 -1.7223 -1.7223 -1.6850 -1.6850 -1.5501 -1.5501 -1.4747 -1.4747 -1.4086 -1.4086 -0.8883 -0.8883 -0.6197 -0.6197 1.0662 1.0662 1.0880 1.0880 1.5250 1.5250 1.8506 1.8506 1.8724 1.8724 2.1930 2.1930 2.5145 2.5145 2.6691 2.6691 2.7719 2.7719 2.8653 2.8653 6.3874 6.3874 6.5381 6.5381 8.5410 8.5410 8.6108 8.6108 8.8403 8.8403 k = 0.3725 0.3725 0.1769 ( 7506 PWs) bands (ev): -8.0728 -8.0728 -8.0719 -8.0719 -7.9967 -7.9967 -7.9929 -7.9929 -3.3526 -3.3526 -3.3119 -3.3119 -3.2664 -3.2664 -3.1607 -3.1607 -1.9545 -1.9545 -1.7260 -1.7260 -1.6911 -1.6911 -1.5418 -1.5418 -1.4748 -1.4748 -1.4095 -1.4095 -0.8803 -0.8803 -0.6016 -0.6016 1.0828 1.0828 1.0975 1.0975 1.5161 1.5161 1.8459 1.8459 1.8864 1.8864 2.2171 2.2171 2.5412 2.5412 2.7033 2.7033 2.7988 2.7988 2.9067 2.9067 6.3869 6.3869 6.5513 6.5513 8.5676 8.5676 8.6430 8.6430 8.8738 8.8738 k = 0.3627 0.3627 0.1769 ( 7506 PWs) bands (ev): -8.0855 -8.0855 -8.0846 -8.0846 -7.9982 -7.9982 -7.9940 -7.9940 -3.3605 -3.3605 -3.3176 -3.3176 -3.2685 -3.2685 -3.1619 -3.1619 -1.9602 -1.9602 -1.7299 -1.7299 -1.6975 -1.6975 -1.5356 -1.5356 -1.4747 -1.4747 -1.4114 -1.4114 -0.8694 -0.8694 -0.5835 -0.5835 1.1014 1.1014 1.1073 1.1073 1.5114 1.5114 1.8433 1.8433 1.9023 1.9023 2.2405 2.2405 2.5698 2.5698 2.7379 2.7379 2.8234 2.8234 2.9501 2.9501 6.3875 6.3875 6.5655 6.5655 8.5955 8.5955 8.6764 8.6764 8.9089 8.9089 k = 0.3529 0.3529 0.1769 ( 7504 PWs) bands (ev): -8.0988 -8.0988 -8.0979 -8.0979 -7.9997 -7.9997 -7.9953 -7.9953 -3.3687 -3.3687 -3.3226 -3.3226 -3.2713 -3.2713 -3.1637 -3.1637 -1.9650 -1.9650 -1.7338 -1.7338 -1.7042 -1.7042 -1.5312 -1.5312 -1.4745 -1.4745 -1.4144 -1.4144 -0.8559 -0.8559 -0.5653 -0.5653 1.1176 1.1176 1.1219 1.1219 1.5111 1.5111 1.8429 1.8429 1.9198 1.9198 2.2633 2.2633 2.5997 2.5997 2.7732 2.7732 2.8455 2.8455 2.9955 2.9955 6.3891 6.3891 6.5805 6.5805 8.6247 8.6247 8.7106 8.7106 8.9452 8.9452 k = 0.3431 0.3431 0.1769 ( 7516 PWs) bands (ev): -8.1127 -8.1127 -8.1117 -8.1117 -8.0013 -8.0013 -7.9967 -7.9967 -3.3770 -3.3770 -3.3272 -3.3272 -3.2747 -3.2747 -3.1658 -3.1658 -1.9690 -1.9690 -1.7379 -1.7379 -1.7111 -1.7111 -1.5284 -1.5284 -1.4742 -1.4742 -1.4186 -1.4186 -0.8397 -0.8397 -0.5472 -0.5472 1.1287 1.1287 1.1445 1.1445 1.5148 1.5148 1.8449 1.8449 1.9390 1.9390 2.2855 2.2855 2.6301 2.6301 2.8094 2.8094 2.8654 2.8654 3.0426 3.0426 6.3914 6.3914 6.5958 6.5958 8.6548 8.6548 8.7456 8.7456 8.9827 8.9827 k = 0.3333 0.3333 0.1769 ( 7532 PWs) bands (ev): -8.1272 -8.1272 -8.1262 -8.1262 -8.0030 -8.0030 -7.9982 -7.9982 -3.3854 -3.3854 -3.3314 -3.3314 -3.2787 -3.2787 -3.1682 -3.1682 -1.9722 -1.9722 -1.7421 -1.7421 -1.7181 -1.7181 -1.5271 -1.5271 -1.4739 -1.4739 -1.4240 -1.4240 -0.8210 -0.8210 -0.5290 -0.5290 1.1408 1.1408 1.1690 1.1690 1.5226 1.5226 1.8493 1.8493 1.9596 1.9596 2.3072 2.3072 2.6602 2.6602 2.8469 2.8469 2.8831 2.8831 3.0911 3.0911 6.3941 6.3941 6.6110 6.6110 8.6859 8.6859 8.7810 8.7810 9.0212 9.0212 k = 0.3235 0.3235 0.1769 ( 7540 PWs) bands (ev): -8.1421 -8.1421 -8.1411 -8.1411 -8.0047 -8.0047 -7.9997 -7.9997 -3.3937 -3.3937 -3.3352 -3.3352 -3.2834 -3.2834 -3.1709 -3.1709 -1.9749 -1.9749 -1.7465 -1.7465 -1.7251 -1.7251 -1.5269 -1.5269 -1.4736 -1.4736 -1.4307 -1.4307 -0.8001 -0.8001 -0.5109 -0.5109 1.1542 1.1542 1.1956 1.1956 1.5341 1.5341 1.8562 1.8562 1.9814 1.9814 2.3283 2.3283 2.6896 2.6896 2.8860 2.8860 2.8989 2.8989 3.1408 3.1408 6.3969 6.3969 6.6255 6.6255 8.7177 8.7177 8.8168 8.8168 9.0605 9.0605 k = 0.3137 0.3137 0.1769 ( 7538 PWs) bands (ev): -8.1574 -8.1574 -8.1564 -8.1564 -8.0065 -8.0065 -8.0013 -8.0013 -3.4019 -3.4019 -3.3386 -3.3386 -3.2886 -3.2886 -3.1739 -3.1739 -1.9770 -1.9770 -1.7511 -1.7511 -1.7320 -1.7320 -1.5278 -1.5278 -1.4735 -1.4735 -1.4386 -1.4386 -0.7773 -0.7773 -0.4928 -0.4928 1.1691 1.1691 1.2243 1.2243 1.5490 1.5490 1.8655 1.8655 2.0043 2.0043 2.3487 2.3487 2.7179 2.7179 2.9132 2.9132 2.9268 2.9268 3.1913 3.1913 6.3992 6.3992 6.6387 6.6387 8.7502 8.7502 8.8528 8.8528 9.1005 9.1005 k = 0.3039 0.3039 0.1769 ( 7520 PWs) bands (ev): -8.1730 -8.1730 -8.1720 -8.1720 -8.0083 -8.0083 -8.0030 -8.0030 -3.4099 -3.4099 -3.3418 -3.3418 -3.2944 -3.2944 -3.1771 -3.1771 -1.9787 -1.9787 -1.7560 -1.7560 -1.7388 -1.7388 -1.5294 -1.5294 -1.4734 -1.4734 -1.4474 -1.4474 -0.7527 -0.7527 -0.4748 -0.4748 1.1859 1.1859 1.2550 1.2550 1.5671 1.5671 1.8771 1.8771 2.0282 2.0282 2.3685 2.3685 2.7450 2.7450 2.9262 2.9262 2.9694 2.9694 3.2424 3.2424 6.4007 6.4007 6.6501 6.6501 8.7832 8.7832 8.8888 8.8888 9.1409 9.1409 k = 0.2941 0.2941 0.1769 ( 7520 PWs) bands (ev): -8.1889 -8.1889 -8.1879 -8.1879 -8.0102 -8.0102 -8.0048 -8.0048 -3.4177 -3.4177 -3.3447 -3.3447 -3.3006 -3.3006 -3.1806 -3.1806 -1.9801 -1.9801 -1.7611 -1.7611 -1.7454 -1.7454 -1.5318 -1.5318 -1.4735 -1.4735 -1.4570 -1.4570 -0.7267 -0.7267 -0.4567 -0.4567 1.2046 1.2046 1.2877 1.2877 1.5881 1.5881 1.8910 1.8910 2.0528 2.0528 2.3874 2.3874 2.7712 2.7712 2.9382 2.9382 3.0135 3.0135 3.2937 3.2937 6.4008 6.4008 6.6589 6.6589 8.8166 8.8166 8.9247 8.9247 9.1816 9.1816 k = 0.2843 0.2843 0.1769 ( 7518 PWs) bands (ev): -8.2050 -8.2050 -8.2041 -8.2041 -8.0122 -8.0122 -8.0066 -8.0066 -3.4252 -3.4252 -3.3473 -3.3473 -3.3073 -3.3073 -3.1842 -3.1842 -1.9812 -1.9812 -1.7666 -1.7666 -1.7519 -1.7519 -1.5349 -1.5349 -1.4736 -1.4736 -1.4670 -1.4670 -0.6994 -0.6994 -0.4387 -0.4387 1.2255 1.2255 1.3223 1.3223 1.6117 1.6117 1.9069 1.9069 2.0781 2.0781 2.4052 2.4052 2.7969 2.7969 2.9496 2.9496 3.0589 3.0589 3.3450 3.3450 6.3991 6.3991 6.6647 6.6647 8.8503 8.8503 8.9604 8.9604 9.2223 9.2223 k = 0.2745 0.2745 0.1769 ( 7526 PWs) bands (ev): -8.2213 -8.2213 -8.2204 -8.2204 -8.0142 -8.0142 -8.0085 -8.0085 -3.4325 -3.4325 -3.3497 -3.3497 -3.3143 -3.3143 -3.1881 -3.1881 -1.9821 -1.9821 -1.7724 -1.7724 -1.7581 -1.7581 -1.5389 -1.5389 -1.4771 -1.4771 -1.4739 -1.4739 -0.6713 -0.6713 -0.4207 -0.4207 1.2485 1.2485 1.3588 1.3588 1.6377 1.6377 1.9247 1.9247 2.1038 2.1038 2.4218 2.4218 2.8224 2.8224 2.9607 2.9607 3.1051 3.1051 3.3960 3.3960 6.3950 6.3950 6.6669 6.6669 8.8841 8.8841 8.9958 8.9958 9.2625 9.2625 k = 0.2647 0.2647 0.1769 ( 7530 PWs) bands (ev): -8.2377 -8.2377 -8.2368 -8.2368 -8.0162 -8.0162 -8.0105 -8.0105 -3.4394 -3.4394 -3.3518 -3.3518 -3.3216 -3.3216 -3.1921 -3.1921 -1.9829 -1.9829 -1.7785 -1.7785 -1.7640 -1.7640 -1.5439 -1.5439 -1.4868 -1.4868 -1.4744 -1.4744 -0.6424 -0.6424 -0.4027 -0.4027 1.2738 1.2738 1.3972 1.3972 1.6659 1.6659 1.9443 1.9443 2.1299 2.1299 2.4371 2.4371 2.8482 2.8482 2.9718 2.9718 3.1519 3.1519 3.4464 3.4464 6.3883 6.3883 6.6652 6.6652 8.9177 8.9177 9.0306 9.0306 9.3016 9.3016 k = 0.2549 0.2549 0.1769 ( 7532 PWs) bands (ev): -8.2541 -8.2541 -8.2532 -8.2532 -8.0182 -8.0182 -8.0125 -8.0125 -3.4461 -3.4461 -3.3537 -3.3537 -3.3292 -3.3292 -3.1964 -3.1964 -1.9836 -1.9836 -1.7850 -1.7850 -1.7697 -1.7697 -1.5504 -1.5504 -1.4954 -1.4954 -1.4749 -1.4749 -0.6129 -0.6129 -0.3847 -0.3847 1.3012 1.3012 1.4373 1.4373 1.6961 1.6961 1.9653 1.9653 2.1561 2.1561 2.4510 2.4510 2.8747 2.8747 2.9832 2.9832 3.1988 3.1988 3.4958 3.4958 6.3787 6.3787 6.6591 6.6591 8.9506 8.9506 9.0647 9.0647 9.3389 9.3389 k = 0.2451 0.2451 0.1769 ( 7536 PWs) bands (ev): -8.2704 -8.2704 -8.2696 -8.2696 -8.0202 -8.0202 -8.0145 -8.0145 -3.4524 -3.4524 -3.3553 -3.3553 -3.3369 -3.3369 -3.2008 -3.2008 -1.9843 -1.9843 -1.7918 -1.7918 -1.7750 -1.7750 -1.5586 -1.5586 -1.5025 -1.5025 -1.4755 -1.4755 -0.5832 -0.5832 -0.3668 -0.3668 1.3306 1.3306 1.4789 1.4789 1.7280 1.7280 1.9876 1.9876 2.1825 2.1825 2.4634 2.4634 2.9023 2.9023 2.9952 2.9952 3.2455 3.2455 3.5440 3.5440 6.3659 6.3659 6.6487 6.6487 8.9821 8.9821 9.0972 9.0972 9.3734 9.3734 k = 0.2353 0.2353 0.1769 ( 7540 PWs) bands (ev): -8.2866 -8.2866 -8.2858 -8.2858 -8.0223 -8.0223 -8.0165 -8.0165 -3.4584 -3.4584 -3.3567 -3.3567 -3.3448 -3.3448 -3.2054 -3.2054 -1.9850 -1.9850 -1.7990 -1.7990 -1.7801 -1.7801 -1.5684 -1.5684 -1.5080 -1.5080 -1.4762 -1.4762 -0.5532 -0.5532 -0.3488 -0.3488 1.3619 1.3619 1.5221 1.5221 1.7616 1.7616 2.0109 2.0109 2.2088 2.2088 2.4745 2.4745 2.9312 2.9312 3.0080 3.0080 3.2915 3.2915 3.5906 3.5906 6.3498 6.3498 6.6337 6.6337 9.0112 9.0112 9.1272 9.1272 9.4040 9.4040 k = 0.2255 0.2255 0.1769 ( 7540 PWs) bands (ev): -8.3027 -8.3027 -8.3019 -8.3019 -8.0243 -8.0243 -8.0186 -8.0186 -3.4640 -3.4640 -3.3579 -3.3579 -3.3527 -3.3527 -3.2102 -3.2102 -1.9858 -1.9858 -1.8065 -1.8065 -1.7848 -1.7848 -1.5797 -1.5797 -1.5118 -1.5118 -1.4769 -1.4769 -0.5233 -0.5233 -0.3309 -0.3309 1.3950 1.3950 1.5665 1.5665 1.7966 1.7966 2.0351 2.0351 2.2351 2.2351 2.4843 2.4843 2.9613 2.9613 3.0219 3.0219 3.3368 3.3368 3.6355 3.6355 6.3304 6.3304 6.6144 6.6144 9.0360 9.0360 9.1523 9.1523 9.4297 9.4297 k = 0.2157 0.2157 0.1769 ( 7544 PWs) bands (ev): -8.3186 -8.3186 -8.3178 -8.3178 -8.0264 -8.0264 -8.0207 -8.0207 -3.4693 -3.4693 -3.3607 -3.3607 -3.3588 -3.3588 -3.2151 -3.2151 -1.9866 -1.9866 -1.8143 -1.8143 -1.7892 -1.7892 -1.5919 -1.5919 -1.5145 -1.5145 -1.4777 -1.4777 -0.4935 -0.4935 -0.3130 -0.3130 1.4296 1.4296 1.6120 1.6120 1.8328 1.8328 2.0597 2.0597 2.2612 2.2612 2.4932 2.4932 2.9928 2.9928 3.0371 3.0371 3.3808 3.3808 3.6781 3.6781 6.3079 6.3079 6.5909 6.5909 9.0540 9.0540 9.1682 9.1682 9.4499 9.4499 k = 0.2059 0.2059 0.1769 ( 7542 PWs) bands (ev): -8.3341 -8.3341 -8.3335 -8.3335 -8.0284 -8.0284 -8.0228 -8.0228 -3.4742 -3.4742 -3.3686 -3.3686 -3.3595 -3.3595 -3.2201 -3.2201 -1.9874 -1.9874 -1.8225 -1.8225 -1.7933 -1.7933 -1.6047 -1.6047 -1.5161 -1.5161 -1.4785 -1.4785 -0.4640 -0.4640 -0.2953 -0.2953 1.4655 1.4655 1.6585 1.6585 1.8702 1.8702 2.0846 2.0846 2.2871 2.2871 2.5014 2.5014 3.0255 3.0255 3.0536 3.0536 3.4235 3.4235 3.7184 3.7184 6.2823 6.2823 6.5635 6.5635 9.0615 9.0615 9.1672 9.1672 9.4655 9.4655 k = 0.1961 0.1961 0.1769 ( 7534 PWs) bands (ev): -8.3494 -8.3494 -8.3487 -8.3487 -8.0304 -8.0304 -8.0249 -8.0249 -3.4787 -3.4787 -3.3765 -3.3765 -3.3600 -3.3600 -3.2253 -3.2253 -1.9883 -1.9883 -1.8308 -1.8308 -1.7971 -1.7971 -1.6178 -1.6178 -1.5170 -1.5170 -1.4793 -1.4793 -0.4349 -0.4349 -0.2777 -0.2777 1.5023 1.5023 1.7055 1.7055 1.9085 1.9085 2.1094 2.1094 2.3129 2.3129 2.5093 2.5093 3.0591 3.0591 3.0716 3.0716 3.4647 3.4647 3.7559 3.7559 6.2541 6.2541 6.5327 6.5327 9.0542 9.0542 9.1398 9.1398 9.4788 9.4789 k = 0.1863 0.1863 0.1769 ( 7530 PWs) bands (ev): -8.3642 -8.3642 -8.3636 -8.3636 -8.0324 -8.0324 -8.0269 -8.0269 -3.4829 -3.4829 -3.3844 -3.3844 -3.3602 -3.3602 -3.2306 -3.2306 -1.9892 -1.9892 -1.8394 -1.8394 -1.8005 -1.8005 -1.6310 -1.6310 -1.5173 -1.5173 -1.4801 -1.4801 -0.4063 -0.4063 -0.2603 -0.2603 1.5400 1.5400 1.7529 1.7529 1.9476 1.9476 2.1340 2.1340 2.3384 2.3384 2.5171 2.5171 3.0910 3.0910 3.0936 3.0936 3.5040 3.5040 3.7905 3.7905 6.2235 6.2235 6.4988 6.4988 9.0287 9.0287 9.0831 9.0831 9.4935 9.4935 k = 0.1765 0.1765 0.1769 ( 7530 PWs) bands (ev): -8.3787 -8.3787 -8.3781 -8.3781 -8.0343 -8.0343 -8.0290 -8.0290 -3.4868 -3.4868 -3.3921 -3.3921 -3.3602 -3.3602 -3.2359 -3.2359 -1.9901 -1.9901 -1.8481 -1.8481 -1.8036 -1.8036 -1.6439 -1.6439 -1.5171 -1.5171 -1.4809 -1.4809 -0.3784 -0.3784 -0.2433 -0.2433 1.5781 1.5781 1.8002 1.8002 1.9873 1.9873 2.1581 2.1581 2.3637 2.3637 2.5252 2.5252 3.1119 3.1119 3.1284 3.1284 3.5415 3.5415 3.8218 3.8218 6.1910 6.1910 6.4624 6.4624 8.9843 8.9843 9.0042 9.0042 9.5115 9.5122 k = 0.1667 0.1667 0.1769 ( 7528 PWs) bands (ev): -8.3926 -8.3926 -8.3921 -8.3921 -8.0361 -8.0361 -8.0310 -8.0310 -3.4902 -3.4902 -3.3997 -3.3997 -3.3600 -3.3600 -3.2413 -3.2413 -1.9910 -1.9910 -1.8570 -1.8570 -1.8063 -1.8063 -1.6566 -1.6566 -1.5166 -1.5166 -1.4817 -1.4817 -0.3512 -0.3512 -0.2266 -0.2266 1.6164 1.6164 1.8471 1.8471 2.0275 2.0275 2.1816 2.1816 2.3888 2.3888 2.5339 2.5339 3.1343 3.1343 3.1634 3.1634 3.5769 3.5769 3.8498 3.8498 6.1570 6.1570 6.4239 6.4239 8.9126 8.9126 8.9236 8.9236 9.5355 9.5356 k = 0.1569 0.1569 0.1769 ( 7528 PWs) bands (ev): -8.4060 -8.4060 -8.4055 -8.4055 -8.0379 -8.0379 -8.0330 -8.0330 -3.4933 -3.4933 -3.4071 -3.4071 -3.3595 -3.3595 -3.2468 -3.2468 -1.9919 -1.9919 -1.8659 -1.8659 -1.8087 -1.8087 -1.6690 -1.6690 -1.5158 -1.5158 -1.4824 -1.4824 -0.3249 -0.3249 -0.2103 -0.2103 1.6547 1.6547 1.8930 1.8930 2.0680 2.0680 2.2045 2.2045 2.4137 2.4137 2.5435 2.5435 3.1579 3.1579 3.1982 3.1982 3.6104 3.6104 3.8742 3.8742 6.1219 6.1219 6.3837 6.3837 8.8154 8.8154 8.8508 8.8508 9.5626 9.5626 k = 0.1471 0.1471 0.1769 ( 7524 PWs) bands (ev): -8.4188 -8.4188 -8.4183 -8.4183 -8.0397 -8.0397 -8.0349 -8.0349 -3.4960 -3.4960 -3.4144 -3.4144 -3.3588 -3.3588 -3.2522 -3.2522 -1.9928 -1.9928 -1.8749 -1.8749 -1.8108 -1.8108 -1.6809 -1.6809 -1.5148 -1.5148 -1.4831 -1.4831 -0.2995 -0.2995 -0.1945 -0.1945 1.6925 1.6925 1.9371 1.9371 2.1086 2.1086 2.2268 2.2268 2.4384 2.4384 2.5539 2.5539 3.1828 3.1828 3.2323 3.2323 3.6418 3.6418 3.8949 3.8949 6.0864 6.0864 6.3424 6.3424 8.7168 8.7168 8.7701 8.7701 9.5916 9.5916 k = 0.1373 0.1373 0.1769 ( 7530 PWs) bands (ev): -8.4310 -8.4310 -8.4306 -8.4306 -8.0413 -8.0413 -8.0368 -8.0368 -3.4984 -3.4984 -3.4214 -3.4214 -3.3580 -3.3580 -3.2577 -3.2577 -1.9936 -1.9936 -1.8838 -1.8838 -1.8125 -1.8125 -1.6923 -1.6923 -1.5136 -1.5136 -1.4838 -1.4838 -0.2751 -0.2751 -0.1794 -0.1794 1.7298 1.7298 1.9788 1.9788 2.1492 2.1492 2.2490 2.2490 2.4627 2.4627 2.5653 2.5653 3.2086 3.2086 3.2654 3.2654 3.6711 3.6711 3.9119 3.9119 6.0508 6.0508 6.3003 6.3003 8.6196 8.6196 8.6852 8.6852 9.6165 9.6165 k = 0.1275 0.1275 0.1769 ( 7530 PWs) bands (ev): -8.4425 -8.4425 -8.4421 -8.4421 -8.0429 -8.0429 -8.0386 -8.0386 -3.5004 -3.5004 -3.4283 -3.4283 -3.3569 -3.3569 -3.2631 -3.2631 -1.9942 -1.9942 -1.8926 -1.8926 -1.8138 -1.8138 -1.7032 -1.7032 -1.5122 -1.5122 -1.4845 -1.4845 -0.2519 -0.2519 -0.1650 -0.1650 1.7662 1.7662 2.0172 2.0172 2.1894 2.1894 2.2715 2.2715 2.4867 2.4867 2.5775 2.5775 3.2352 3.2352 3.2971 3.2971 3.6985 3.6985 3.9252 3.9252 6.0158 6.0158 6.2578 6.2578 8.5257 8.5257 8.5990 8.5990 9.6482 9.6482 k = 0.1176 0.1176 0.1769 ( 7536 PWs) bands (ev): -8.4533 -8.4533 -8.4530 -8.4530 -8.0444 -8.0444 -8.0403 -8.0403 -3.5020 -3.5020 -3.4349 -3.4349 -3.3556 -3.3556 -3.2685 -3.2685 -1.9948 -1.9948 -1.9013 -1.9013 -1.8148 -1.8148 -1.7136 -1.7136 -1.5108 -1.5108 -1.4851 -1.4851 -0.2299 -0.2299 -0.1514 -0.1514 1.8015 1.8015 2.0512 2.0512 2.2292 2.2292 2.2950 2.2950 2.5100 2.5100 2.5904 2.5904 3.2623 3.2623 3.3271 3.3271 3.7240 3.7240 3.9350 3.9350 5.9818 5.9818 6.2153 6.2153 8.4361 8.4361 8.5136 8.5136 9.6720 9.6721 k = 0.1078 0.1078 0.1769 ( 7532 PWs) bands (ev): -8.4634 -8.4634 -8.4631 -8.4631 -8.0457 -8.0457 -8.0420 -8.0420 -3.5032 -3.5032 -3.4413 -3.4413 -3.3541 -3.3541 -3.2738 -3.2738 -1.9951 -1.9951 -1.9097 -1.9097 -1.8154 -1.8154 -1.7234 -1.7234 -1.5093 -1.5093 -1.4857 -1.4857 -0.2092 -0.2092 -0.1387 -0.1387 1.8356 1.8356 2.0800 2.0800 2.2682 2.2682 2.3200 2.3200 2.5326 2.5326 2.6035 2.6035 3.2897 3.2897 3.3549 3.3549 3.7477 3.7477 3.9413 3.9413 5.9494 5.9494 6.1731 6.1731 8.3518 8.3518 8.4305 8.4305 9.6909 9.6909 k = 0.0980 0.0980 0.1769 ( 7528 PWs) bands (ev): -8.4727 -8.4727 -8.4725 -8.4725 -8.0470 -8.0470 -8.0435 -8.0435 -3.5041 -3.5041 -3.4475 -3.4475 -3.3523 -3.3523 -3.2791 -3.2791 -1.9953 -1.9953 -1.9180 -1.9180 -1.8157 -1.8157 -1.7327 -1.7327 -1.5078 -1.5078 -1.4864 -1.4864 -0.1899 -0.1899 -0.1270 -0.1270 1.8684 1.8684 2.1031 2.1031 2.3063 2.3063 2.3468 2.3468 2.5542 2.5542 2.6166 2.6166 3.3170 3.3170 3.3804 3.3804 3.7697 3.7697 3.9445 3.9445 5.9190 5.9190 6.1316 6.1316 8.2736 8.2736 8.3511 8.3511 9.7024 9.7035 k = 0.0882 0.0882 0.1769 ( 7536 PWs) bands (ev): -8.4813 -8.4813 -8.4810 -8.4810 -8.0481 -8.0481 -8.0449 -8.0449 -3.5046 -3.5046 -3.4533 -3.4533 -3.3504 -3.3504 -3.2842 -3.2842 -1.9952 -1.9952 -1.9259 -1.9259 -1.8156 -1.8156 -1.7414 -1.7414 -1.5062 -1.5062 -1.4870 -1.4870 -0.1719 -0.1719 -0.1163 -0.1163 1.8996 1.8996 2.1204 2.1204 2.3430 2.3430 2.3749 2.3749 2.5745 2.5745 2.6291 2.6291 3.3438 3.3438 3.4033 3.4033 3.7900 3.7900 3.9450 3.9450 5.8913 5.8913 6.0911 6.0911 8.2019 8.2019 8.2764 8.2764 9.7006 9.7006 k = 0.0784 0.0784 0.1769 ( 7534 PWs) bands (ev): -8.4890 -8.4890 -8.4888 -8.4888 -8.0491 -8.0491 -8.0463 -8.0463 -3.5047 -3.5047 -3.4589 -3.4589 -3.3483 -3.3483 -3.2893 -3.2893 -1.9948 -1.9948 -1.9335 -1.9335 -1.8151 -1.8151 -1.7495 -1.7495 -1.5047 -1.5047 -1.4876 -1.4876 -0.1555 -0.1555 -0.1068 -0.1068 1.9293 1.9293 2.1325 2.1325 2.3780 2.3780 2.4037 2.4037 2.5934 2.5934 2.6409 2.6409 3.3697 3.3697 3.4236 3.4236 3.8085 3.8085 3.9430 3.9430 5.8667 5.8667 6.0517 6.0517 8.1373 8.1373 8.2071 8.2071 9.7018 9.7092 k = 0.0686 0.0686 0.1769 ( 7540 PWs) bands (ev): -8.4958 -8.4958 -8.4956 -8.4956 -8.0500 -8.0500 -8.0475 -8.0475 -3.5045 -3.5045 -3.4642 -3.4642 -3.3460 -3.3460 -3.2942 -3.2942 -1.9942 -1.9942 -1.9407 -1.9407 -1.8142 -1.8142 -1.7572 -1.7572 -1.5031 -1.5031 -1.4883 -1.4883 -0.1405 -0.1405 -0.0986 -0.0986 1.9573 1.9573 2.1399 2.1399 2.4111 2.4111 2.4323 2.4323 2.6106 2.6106 2.6513 2.6513 3.3942 3.3942 3.4412 3.4412 3.8253 3.8253 3.9392 3.9392 5.8456 5.8456 6.0140 6.0140 8.0802 8.0802 8.1439 8.1439 9.7034 9.7048 k = 0.0588 0.0588 0.1769 ( 7536 PWs) bands (ev): -8.5018 -8.5018 -8.5016 -8.5016 -8.0508 -8.0508 -8.0486 -8.0486 -3.5039 -3.5039 -3.4692 -3.4692 -3.3435 -3.3435 -3.2990 -3.2990 -1.9932 -1.9932 -1.9475 -1.9475 -1.8129 -1.8129 -1.7643 -1.7643 -1.5017 -1.5017 -1.4889 -1.4889 -0.1271 -0.1271 -0.0917 -0.0917 1.9835 1.9835 2.1433 2.1433 2.4417 2.4417 2.4595 2.4595 2.6258 2.6258 2.6602 2.6602 3.4169 3.4169 3.4561 3.4561 3.8403 3.8403 3.9340 3.9340 5.8285 5.8285 5.9782 5.9782 8.0308 8.0308 8.0874 8.0874 9.6965 9.6975 k = 0.0490 0.0490 0.1769 ( 7542 PWs) bands (ev): -8.5069 -8.5069 -8.5068 -8.5068 -8.0514 -8.0514 -8.0495 -8.0495 -3.5029 -3.5029 -3.4740 -3.4740 -3.3408 -3.3408 -3.3036 -3.3036 -1.9918 -1.9918 -1.9539 -1.9539 -1.8112 -1.8112 -1.7709 -1.7709 -1.5002 -1.5002 -1.4897 -1.4897 -0.1153 -0.1153 -0.0861 -0.0861 2.0080 2.0080 2.1432 2.1432 2.4694 2.4694 2.4843 2.4843 2.6390 2.6390 2.6673 2.6673 3.4373 3.4373 3.4685 3.4685 3.8535 3.8535 3.9279 3.9279 5.8158 5.8158 5.9446 5.9446 7.9895 7.9895 8.0380 8.0380 9.6883 9.6893 k = 0.0392 0.0392 0.1769 ( 7536 PWs) bands (ev): -8.5111 -8.5111 -8.5110 -8.5110 -8.0519 -8.0519 -8.0504 -8.0504 -3.5016 -3.5016 -3.4784 -3.4784 -3.3379 -3.3379 -3.3081 -3.3081 -1.9901 -1.9901 -1.9598 -1.9598 -1.8091 -1.8091 -1.7769 -1.7769 -1.4989 -1.4989 -1.4904 -1.4904 -0.1051 -0.1051 -0.0820 -0.0820 2.0307 2.0307 2.1400 2.1400 2.4936 2.4936 2.5058 2.5058 2.6500 2.6500 2.6724 2.6724 3.4548 3.4548 3.4784 3.4784 3.8649 3.8649 3.9215 3.9215 5.8078 5.8078 5.9137 5.9137 7.9564 7.9564 7.9961 7.9961 9.6806 9.6812 k = 0.0294 0.0294 0.1769 ( 7528 PWs) bands (ev): -8.5143 -8.5143 -8.5142 -8.5142 -8.0522 -8.0522 -8.0511 -8.0511 -3.4999 -3.4999 -3.4824 -3.4824 -3.3348 -3.3348 -3.3124 -3.3124 -1.9879 -1.9879 -1.9652 -1.9652 -1.8066 -1.8066 -1.7825 -1.7825 -1.4976 -1.4976 -1.4912 -1.4912 -0.0966 -0.0966 -0.0793 -0.0793 2.0515 2.0515 2.1342 2.1342 2.5138 2.5138 2.5233 2.5233 2.6589 2.6589 2.6756 2.6756 3.4693 3.4693 3.4858 3.4858 3.8746 3.8746 3.9150 3.9150 5.8047 5.8047 5.8859 5.8859 7.9317 7.9317 7.9619 7.9619 9.6742 9.6742 k = 0.0196 0.0196 0.1769 ( 7522 PWs) bands (ev): -8.5167 -8.5167 -8.5166 -8.5166 -8.0524 -8.0524 -8.0516 -8.0516 -3.4979 -3.4979 -3.4862 -3.4862 -3.3315 -3.3315 -3.3166 -3.3166 -1.9853 -1.9853 -1.9702 -1.9702 -1.8037 -1.8037 -1.7877 -1.7877 -1.4963 -1.4963 -1.4921 -1.4921 -0.0896 -0.0896 -0.0782 -0.0782 2.0705 2.0705 2.1258 2.1258 2.5294 2.5294 2.5359 2.5359 2.6658 2.6658 2.6768 2.6768 3.4803 3.4803 3.4907 3.4907 3.8829 3.8829 3.9087 3.9087 5.8065 5.8065 5.8615 5.8615 7.9155 7.9155 7.9359 7.9359 9.6690 9.6690 k = 0.0098 0.0098 0.1769 ( 7516 PWs) bands (ev): -8.5181 -8.5181 -8.5180 -8.5180 -8.0524 -8.0524 -8.0520 -8.0520 -3.4955 -3.4955 -3.4896 -3.4896 -3.3281 -3.3281 -3.3206 -3.3206 -1.9822 -1.9822 -1.9747 -1.9747 -1.8003 -1.8003 -1.7924 -1.7924 -1.4952 -1.4952 -1.4931 -1.4931 -0.0843 -0.0843 -0.0786 -0.0786 2.0874 2.0874 2.1152 2.1152 2.5397 2.5397 2.5430 2.5430 2.6709 2.6709 2.6764 2.6764 3.4878 3.4878 3.4927 3.4927 3.8900 3.8900 3.9026 3.9026 5.8133 5.8133 5.8411 5.8411 7.9078 7.9078 7.9181 7.9181 9.6657 9.6657 k = 0.0000 0.0000 0.1769 ( 7512 PWs) bands (ev): -8.5185 -8.5185 -8.5185 -8.5185 -8.0523 -8.0523 -8.0523 -8.0523 -3.4927 -3.4927 -3.4927 -3.4927 -3.3244 -3.3244 -3.3244 -3.3244 -1.9787 -1.9787 -1.9787 -1.9787 -1.7966 -1.7966 -1.7966 -1.7966 -1.4941 -1.4941 -1.4941 -1.4941 -0.0807 -0.0807 -0.0807 -0.0807 2.1023 2.1023 2.1023 2.1023 2.5443 2.5443 2.5443 2.5443 2.6744 2.6744 2.6744 2.6744 3.4919 3.4919 3.4919 3.4919 3.8964 3.8964 3.8964 3.8964 5.8249 5.8249 5.8249 5.8249 7.9087 7.9087 7.9087 7.9087 9.6647 9.6647 k = 0.0000 0.5000-0.0000 ( 7550 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1774 -3.1774 -3.1774 -3.1774 -1.9283 -1.9283 -1.9283 -1.9283 -1.5772 -1.5772 -1.5772 -1.5772 -1.4024 -1.4024 -1.4024 -1.4024 -0.9548 -0.9548 -0.9548 -0.9548 1.1800 1.1800 1.1800 1.1800 1.8764 1.8764 1.8764 1.8764 2.8008 2.8008 2.8008 2.8008 3.1942 3.1942 3.1942 3.1942 3.5576 3.5576 3.5576 3.5576 5.9521 5.9521 5.9521 5.9521 9.3226 9.3226 9.3226 9.3226 9.7402 9.7402 k = 0.0000 0.5000 0.0136 ( 7542 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1774 -3.1774 -3.1774 -3.1774 -1.9283 -1.9283 -1.9283 -1.9283 -1.5773 -1.5773 -1.5773 -1.5773 -1.4025 -1.4025 -1.4025 -1.4025 -0.9542 -0.9542 -0.9542 -0.9542 1.1758 1.1758 1.1758 1.1758 1.8829 1.8829 1.8829 1.8829 2.7996 2.7996 2.7996 2.7996 3.1933 3.1933 3.1933 3.1933 3.5561 3.5561 3.5561 3.5561 5.9538 5.9538 5.9538 5.9538 9.3152 9.3152 9.3152 9.3152 9.7459 9.7459 k = 0.0000 0.5000 0.0272 ( 7534 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1775 -3.1775 -3.1775 -3.1775 -1.9283 -1.9283 -1.9283 -1.9283 -1.5777 -1.5777 -1.5777 -1.5777 -1.4028 -1.4028 -1.4028 -1.4028 -0.9525 -0.9525 -0.9525 -0.9525 1.1639 1.1639 1.1639 1.1639 1.9018 1.9018 1.9018 1.9018 2.7961 2.7961 2.7961 2.7961 3.1906 3.1906 3.1906 3.1906 3.5518 3.5518 3.5518 3.5518 5.9589 5.9589 5.9589 5.9589 9.2943 9.2943 9.2943 9.2943 9.7615 9.7615 k = 0.0000 0.5000 0.0408 ( 7530 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4508 -3.4508 -3.4508 -3.4508 -3.1775 -3.1775 -3.1775 -3.1775 -1.9282 -1.9282 -1.9282 -1.9282 -1.5784 -1.5784 -1.5784 -1.5784 -1.4033 -1.4033 -1.4033 -1.4033 -0.9497 -0.9497 -0.9497 -0.9497 1.1457 1.1457 1.1457 1.1457 1.9314 1.9314 1.9314 1.9314 2.7900 2.7900 2.7900 2.7900 3.1861 3.1861 3.1861 3.1861 3.5451 3.5451 3.5451 3.5451 5.9670 5.9670 5.9670 5.9670 9.2636 9.2636 9.2636 9.2636 9.7837 9.7837 k = 0.0000 0.5000 0.0544 ( 7544 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4507 -3.4507 -3.4507 -3.4507 -3.1776 -3.1776 -3.1776 -3.1776 -1.9281 -1.9281 -1.9281 -1.9281 -1.5792 -1.5792 -1.5792 -1.5792 -1.4040 -1.4040 -1.4040 -1.4040 -0.9460 -0.9460 -0.9460 -0.9460 1.1232 1.1232 1.1232 1.1232 1.9698 1.9698 1.9698 1.9698 2.7812 2.7812 2.7812 2.7812 3.1800 3.1800 3.1800 3.1800 3.5364 3.5364 3.5364 3.5364 5.9776 5.9776 5.9776 5.9776 9.2269 9.2269 9.2269 9.2269 9.8091 9.8091 k = 0.0000 0.5000 0.0680 ( 7546 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4507 -3.4507 -3.4507 -3.4507 -3.1777 -3.1777 -3.1777 -3.1777 -1.9280 -1.9280 -1.9280 -1.9280 -1.5802 -1.5802 -1.5802 -1.5802 -1.4047 -1.4047 -1.4047 -1.4047 -0.9417 -0.9417 -0.9417 -0.9417 1.0985 1.0985 1.0985 1.0985 2.0148 2.0148 2.0148 2.0148 2.7693 2.7693 2.7693 2.7693 3.1725 3.1725 3.1725 3.1725 3.5265 3.5265 3.5265 3.5265 5.9902 5.9902 5.9902 5.9902 9.1875 9.1875 9.1875 9.1875 9.8350 9.8350 k = 0.0000 0.5000 0.0817 ( 7546 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4507 -3.4507 -3.4507 -3.4507 -3.1778 -3.1778 -3.1778 -3.1778 -1.9279 -1.9279 -1.9279 -1.9279 -1.5813 -1.5813 -1.5813 -1.5813 -1.4055 -1.4055 -1.4055 -1.4055 -0.9370 -0.9370 -0.9370 -0.9370 1.0733 1.0733 1.0733 1.0733 2.0645 2.0645 2.0645 2.0645 2.7540 2.7540 2.7540 2.7540 3.1638 3.1638 3.1638 3.1638 3.5161 3.5161 3.5161 3.5161 6.0040 6.0040 6.0040 6.0040 9.1479 9.1479 9.1479 9.1479 9.8595 9.8595 k = 0.0000 0.5000 0.0953 ( 7542 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4506 -3.4506 -3.4506 -3.4506 -3.1779 -3.1779 -3.1779 -3.1779 -1.9278 -1.9278 -1.9278 -1.9278 -1.5824 -1.5824 -1.5824 -1.5824 -1.4063 -1.4063 -1.4063 -1.4063 -0.9321 -0.9321 -0.9321 -0.9321 1.0489 1.0489 1.0489 1.0489 2.1171 2.1171 2.1171 2.1171 2.7351 2.7351 2.7351 2.7351 3.1545 3.1545 3.1545 3.1545 3.5060 3.5060 3.5060 3.5060 6.0182 6.0182 6.0182 6.0182 9.1100 9.1100 9.1100 9.1100 9.8816 9.8816 k = 0.0000 0.5000 0.1089 ( 7540 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4506 -3.4506 -3.4506 -3.4506 -3.1780 -3.1780 -3.1780 -3.1780 -1.9277 -1.9277 -1.9277 -1.9277 -1.5835 -1.5835 -1.5835 -1.5835 -1.4071 -1.4071 -1.4071 -1.4071 -0.9273 -0.9273 -0.9273 -0.9273 1.0266 1.0266 1.0266 1.0266 2.1710 2.1710 2.1710 2.1710 2.7123 2.7123 2.7123 2.7123 3.1452 3.1452 3.1452 3.1452 3.4967 3.4967 3.4967 3.4967 6.0320 6.0320 6.0320 6.0320 9.0754 9.0754 9.0754 9.0754 9.9005 9.9005 k = 0.0000 0.5000 0.1225 ( 7522 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4506 -3.4506 -3.4506 -3.4506 -3.1780 -3.1780 -3.1780 -3.1780 -1.9276 -1.9276 -1.9276 -1.9276 -1.5845 -1.5845 -1.5845 -1.5845 -1.4077 -1.4077 -1.4077 -1.4077 -0.9230 -0.9230 -0.9230 -0.9230 1.0073 1.0073 1.0073 1.0073 2.2244 2.2244 2.2244 2.2244 2.6861 2.6861 2.6861 2.6861 3.1365 3.1365 3.1365 3.1365 3.4886 3.4886 3.4886 3.4886 6.0446 6.0446 6.0446 6.0446 9.0454 9.0454 9.0454 9.0454 9.9161 9.9161 k = 0.0000 0.5000 0.1361 ( 7536 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1781 -3.1781 -3.1781 -3.1781 -1.9275 -1.9275 -1.9275 -1.9275 -1.5854 -1.5854 -1.5854 -1.5854 -1.4083 -1.4083 -1.4083 -1.4083 -0.9193 -0.9193 -0.9193 -0.9193 0.9915 0.9915 0.9915 0.9915 2.2752 2.2752 2.2752 2.2752 2.6575 2.6575 2.6575 2.6575 3.1291 3.1291 3.1291 3.1291 3.4822 3.4822 3.4822 3.4822 6.0552 6.0552 6.0552 6.0552 9.0210 9.0210 9.0210 9.0210 9.9281 9.9281 k = 0.0000 0.5000 0.1497 ( 7536 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1782 -3.1782 -3.1782 -3.1782 -1.9274 -1.9274 -1.9274 -1.9274 -1.5860 -1.5860 -1.5860 -1.5860 -1.4087 -1.4087 -1.4087 -1.4087 -0.9165 -0.9165 -0.9165 -0.9165 0.9799 0.9799 0.9799 0.9799 2.3200 2.3200 2.3200 2.3200 2.6290 2.6290 2.6290 2.6290 3.1234 3.1234 3.1234 3.1234 3.4775 3.4775 3.4775 3.4775 6.0633 6.0633 6.0633 6.0633 9.0030 9.0030 9.0030 9.0030 9.9366 9.9366 k = 0.0000 0.5000 0.1633 ( 7512 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1782 -3.1782 -3.1782 -3.1782 -1.9274 -1.9274 -1.9274 -1.9274 -1.5864 -1.5864 -1.5864 -1.5864 -1.4089 -1.4089 -1.4089 -1.4089 -0.9148 -0.9148 -0.9148 -0.9148 0.9728 0.9728 0.9728 0.9728 2.3532 2.3532 2.3532 2.3532 2.6059 2.6059 2.6059 2.6059 3.1199 3.1199 3.1199 3.1199 3.4746 3.4746 3.4746 3.4746 6.0683 6.0683 6.0683 6.0683 8.9920 8.9920 8.9920 8.9920 9.9417 9.9417 k = 0.0000 0.5000 0.1769 ( 7524 PWs) bands (ev): -8.1759 -8.1759 -8.1759 -8.1759 -8.0974 -8.0974 -8.0974 -8.0974 -3.4505 -3.4505 -3.4505 -3.4505 -3.1782 -3.1782 -3.1782 -3.1782 -1.9274 -1.9274 -1.9274 -1.9274 -1.5865 -1.5865 -1.5865 -1.5865 -1.4090 -1.4090 -1.4090 -1.4090 -0.9142 -0.9142 -0.9142 -0.9142 0.9704 0.9704 0.9704 0.9704 2.3660 2.3660 2.3660 2.3660 2.5964 2.5964 2.5964 2.5964 3.1187 3.1187 3.1187 3.1187 3.4737 3.4737 3.4737 3.4737 6.0700 6.0700 6.0700 6.0700 8.9882 8.9882 8.9882 8.9882 9.9434 9.9434 k = 0.5000 0.5000-0.0000 ( 7512 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2851 -3.2851 -3.2851 -3.2851 -3.2026 -3.2026 -3.2026 -3.2026 -1.7877 -1.7877 -1.7877 -1.7877 -1.6572 -1.6572 -1.6572 -1.6572 -1.4390 -1.4390 -1.4390 -1.4390 -0.8182 -0.8182 -0.8182 -0.8182 0.9868 0.9868 0.9868 0.9868 1.8108 1.8108 1.8108 1.8108 1.9256 1.9256 1.9256 1.9256 2.3374 2.3374 2.3374 2.3374 2.6251 2.6251 2.6251 2.6251 6.4003 6.4003 6.4003 6.4003 7.8529 7.8529 7.8529 7.8529 9.5473 9.5473 k = 0.5000 0.5000 0.0136 ( 7504 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2851 -3.2851 -3.2851 -3.2851 -3.2026 -3.2026 -3.2026 -3.2026 -1.7876 -1.7876 -1.7876 -1.7876 -1.6573 -1.6573 -1.6573 -1.6573 -1.4390 -1.4390 -1.4390 -1.4390 -0.8182 -0.8182 -0.8182 -0.8182 0.9870 0.9870 0.9870 0.9870 1.8111 1.8111 1.8111 1.8111 1.9253 1.9253 1.9253 1.9253 2.3382 2.3382 2.3382 2.3382 2.6238 2.6238 2.6238 2.6238 6.4010 6.4010 6.4010 6.4010 7.8570 7.8570 7.8570 7.8570 9.5353 9.5353 k = 0.5000 0.5000 0.0272 ( 7504 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2850 -3.2850 -3.2850 -3.2850 -3.2026 -3.2026 -3.2026 -3.2026 -1.7873 -1.7873 -1.7873 -1.7873 -1.6575 -1.6575 -1.6575 -1.6575 -1.4391 -1.4391 -1.4391 -1.4391 -0.8182 -0.8182 -0.8182 -0.8182 0.9876 0.9876 0.9876 0.9876 1.8120 1.8120 1.8120 1.8120 1.9244 1.9244 1.9244 1.9244 2.3404 2.3404 2.3404 2.3404 2.6202 2.6202 2.6202 2.6202 6.4034 6.4034 6.4034 6.4034 7.8691 7.8691 7.8691 7.8691 9.5006 9.5006 k = 0.5000 0.5000 0.0408 ( 7496 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2850 -3.2850 -3.2850 -3.2850 -3.2027 -3.2027 -3.2027 -3.2027 -1.7869 -1.7869 -1.7869 -1.7869 -1.6579 -1.6579 -1.6579 -1.6579 -1.4393 -1.4393 -1.4393 -1.4393 -0.8183 -0.8183 -0.8183 -0.8183 0.9885 0.9885 0.9885 0.9885 1.8135 1.8135 1.8135 1.8135 1.9228 1.9228 1.9228 1.9228 2.3441 2.3441 2.3441 2.3441 2.6142 2.6142 2.6142 2.6142 6.4071 6.4071 6.4071 6.4071 7.8892 7.8892 7.8892 7.8892 9.4459 9.4459 k = 0.5000 0.5000 0.0544 ( 7504 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2849 -3.2849 -3.2849 -3.2849 -3.2028 -3.2028 -3.2028 -3.2028 -1.7863 -1.7863 -1.7863 -1.7863 -1.6584 -1.6584 -1.6584 -1.6584 -1.4395 -1.4395 -1.4395 -1.4395 -0.8184 -0.8184 -0.8184 -0.8184 0.9897 0.9897 0.9897 0.9897 1.8156 1.8156 1.8156 1.8156 1.9206 1.9206 1.9206 1.9206 2.3493 2.3493 2.3493 2.3493 2.6059 2.6059 2.6059 2.6059 6.4120 6.4120 6.4120 6.4120 7.9171 7.9171 7.9171 7.9171 9.3754 9.3754 k = 0.5000 0.5000 0.0680 ( 7504 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2848 -3.2848 -3.2848 -3.2848 -3.2029 -3.2029 -3.2029 -3.2029 -1.7856 -1.7856 -1.7856 -1.7856 -1.6591 -1.6591 -1.6591 -1.6591 -1.4397 -1.4397 -1.4397 -1.4397 -0.8185 -0.8185 -0.8185 -0.8185 0.9912 0.9912 0.9912 0.9912 1.8182 1.8182 1.8182 1.8182 1.9178 1.9178 1.9178 1.9178 2.3561 2.3561 2.3561 2.3561 2.5956 2.5956 2.5956 2.5956 6.4179 6.4179 6.4179 6.4179 7.9526 7.9526 7.9526 7.9526 9.2931 9.2931 k = 0.5000 0.5000 0.0817 ( 7508 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2847 -3.2847 -3.2847 -3.2847 -3.2030 -3.2030 -3.2030 -3.2030 -1.7849 -1.7849 -1.7849 -1.7849 -1.6597 -1.6597 -1.6597 -1.6597 -1.4400 -1.4400 -1.4400 -1.4400 -0.8186 -0.8186 -0.8186 -0.8186 0.9928 0.9928 0.9928 0.9928 1.8214 1.8214 1.8214 1.8214 1.9143 1.9143 1.9143 1.9143 2.3644 2.3644 2.3644 2.3644 2.5835 2.5835 2.5835 2.5835 6.4243 6.4243 6.4243 6.4243 7.9955 7.9955 7.9955 7.9955 9.2026 9.2026 k = 0.5000 0.5000 0.0953 ( 7492 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2846 -3.2846 -3.2846 -3.2846 -3.2031 -3.2031 -3.2031 -3.2031 -1.7841 -1.7841 -1.7841 -1.7841 -1.6605 -1.6605 -1.6605 -1.6605 -1.4403 -1.4403 -1.4403 -1.4403 -0.8187 -0.8187 -0.8187 -0.8187 0.9945 0.9945 0.9945 0.9945 1.8251 1.8251 1.8251 1.8251 1.9102 1.9102 1.9102 1.9102 2.3742 2.3742 2.3742 2.3742 2.5698 2.5698 2.5698 2.5698 6.4309 6.4309 6.4309 6.4309 8.0452 8.0452 8.0452 8.0452 9.1072 9.1072 k = 0.5000 0.5000 0.1089 ( 7484 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2845 -3.2845 -3.2845 -3.2845 -3.2032 -3.2032 -3.2032 -3.2032 -1.7833 -1.7833 -1.7833 -1.7833 -1.6612 -1.6612 -1.6612 -1.6612 -1.4406 -1.4406 -1.4406 -1.4406 -0.8189 -0.8189 -0.8189 -0.8189 0.9961 0.9961 0.9961 0.9961 1.8292 1.8292 1.8292 1.8292 1.9058 1.9058 1.9058 1.9058 2.3855 2.3855 2.3855 2.3855 2.5549 2.5549 2.5549 2.5549 6.4374 6.4374 6.4374 6.4374 8.1014 8.1014 8.1014 8.1014 9.0096 9.0096 k = 0.5000 0.5000 0.1225 ( 7480 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2845 -3.2845 -3.2845 -3.2845 -3.2032 -3.2032 -3.2032 -3.2032 -1.7826 -1.7826 -1.7826 -1.7826 -1.6618 -1.6618 -1.6618 -1.6618 -1.4408 -1.4408 -1.4408 -1.4408 -0.8190 -0.8190 -0.8190 -0.8190 0.9976 0.9976 0.9976 0.9976 1.8335 1.8335 1.8335 1.8335 1.9010 1.9010 1.9010 1.9010 2.3980 2.3980 2.3980 2.3980 2.5391 2.5391 2.5391 2.5391 6.4433 6.4433 6.4433 6.4433 8.1630 8.1630 8.1630 8.1630 8.9122 8.9122 k = 0.5000 0.5000 0.1361 ( 7476 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2844 -3.2844 -3.2844 -3.2844 -3.2033 -3.2033 -3.2033 -3.2033 -1.7820 -1.7820 -1.7820 -1.7820 -1.6624 -1.6624 -1.6624 -1.6624 -1.4410 -1.4410 -1.4410 -1.4410 -0.8191 -0.8191 -0.8191 -0.8191 0.9988 0.9988 0.9988 0.9988 1.8377 1.8377 1.8377 1.8377 1.8963 1.8963 1.8963 1.8963 2.4114 2.4114 2.4114 2.4114 2.5230 2.5230 2.5230 2.5230 6.4483 6.4483 6.4483 6.4483 8.2288 8.2288 8.2288 8.2288 8.8176 8.8176 k = 0.5000 0.5000 0.1497 ( 7476 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2843 -3.2843 -3.2843 -3.2843 -3.2034 -3.2034 -3.2034 -3.2034 -1.7815 -1.7815 -1.7815 -1.7815 -1.6628 -1.6628 -1.6628 -1.6628 -1.4412 -1.4412 -1.4412 -1.4412 -0.8191 -0.8191 -0.8191 -0.8191 0.9998 0.9998 0.9998 0.9998 1.8416 1.8416 1.8416 1.8416 1.8921 1.8921 1.8921 1.8921 2.4252 2.4252 2.4252 2.4252 2.5072 2.5072 2.5072 2.5072 6.4522 6.4522 6.4522 6.4522 8.2955 8.2955 8.2955 8.2955 8.7298 8.7298 k = 0.5000 0.5000 0.1633 ( 7488 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2843 -3.2843 -3.2843 -3.2843 -3.2034 -3.2034 -3.2034 -3.2034 -1.7812 -1.7812 -1.7812 -1.7812 -1.6631 -1.6631 -1.6631 -1.6631 -1.4413 -1.4413 -1.4413 -1.4413 -0.8192 -0.8192 -0.8192 -0.8192 1.0004 1.0004 1.0004 1.0004 1.8444 1.8444 1.8444 1.8444 1.8890 1.8890 1.8890 1.8890 2.4375 2.4375 2.4375 2.4375 2.4936 2.4936 2.4936 2.4936 6.4546 6.4546 6.4546 6.4546 8.3548 8.3548 8.3548 8.3548 8.6576 8.6576 k = 0.5000 0.5000 0.1769 ( 7488 PWs) bands (ev): -7.9882 -7.9882 -7.9882 -7.9882 -7.9847 -7.9847 -7.9847 -7.9847 -3.2843 -3.2843 -3.2843 -3.2843 -3.2034 -3.2034 -3.2034 -3.2034 -1.7811 -1.7811 -1.7811 -1.7811 -1.6632 -1.6632 -1.6632 -1.6632 -1.4413 -1.4413 -1.4413 -1.4413 -0.8192 -0.8192 -0.8192 -0.8192 1.0006 1.0006 1.0006 1.0006 1.8455 1.8455 1.8455 1.8455 1.8879 1.8879 1.8879 1.8879 2.4433 2.4433 2.4433 2.4433 2.4873 2.4873 2.4873 2.4873 6.4554 6.4554 6.4554 6.4554 8.3825 8.3825 8.3825 8.3825 8.6256 8.6256 Writing output data file HgI2.save init_run : 0.38s CPU 0.53s WALL ( 1 calls) electrons : 577.74s CPU 583.45s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.05s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 577.73s CPU 583.43s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.10s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.05s WALL ( 298 calls) cegterg : 555.42s CPU 560.58s WALL ( 888 calls) Called by sum_band: Called by *egterg: h_psi : 260.83s CPU 265.58s WALL ( 16428 calls) s_psi : 14.41s CPU 14.61s WALL ( 16428 calls) g_psi : 0.31s CPU 0.41s WALL ( 15242 calls) cdiaghg : 243.76s CPU 243.98s WALL ( 15540 calls) cegterg:over : 21.96s CPU 22.08s WALL ( 15242 calls) cegterg:upda : 15.44s CPU 15.60s WALL ( 15242 calls) cegterg:last : 8.09s CPU 8.05s WALL ( 2080 calls) cdiaghg:chol : 9.06s CPU 8.87s WALL ( 15540 calls) cdiaghg:inve : 5.33s CPU 5.41s WALL ( 15540 calls) cdiaghg:para : 14.20s CPU 14.18s WALL ( 31080 calls) Called by h_psi: h_psi:vloc : 226.68s CPU 231.45s WALL ( 16428 calls) h_psi:vnl : 33.79s CPU 33.73s WALL ( 16428 calls) add_vuspsi : 17.70s CPU 17.80s WALL ( 16428 calls) General routines calbec : 16.04s CPU 15.88s WALL ( 16428 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 216.01s CPU 220.80s WALL ( 1490372 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.28s WALL ( 596 calls) Parallel routines fft_scatter : 152.19s CPU 156.35s WALL ( 1490395 calls) PWSCF : 10m23.66s CPU 10m42.51s WALL This run was terminated on: 23:31:51 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=