Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:14:52 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./KMgSb.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 70 43 12 4552 2173 330 Max 71 44 13 4561 2190 337 Sum 2545 1565 437 164057 78503 11973 bravais-lattice index = 14 lattice parameter (alat) = 9.0934 a.u. unit-cell volume = 1281.6443 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.093361 celldm(2)= 1.000000 celldm(3)= 1.704489 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 1.704489 ) 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 0.586686 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential K 9.00 39.09830 K( 1.00) Sb 5.00 121.76000 Sb( 1.00) Mg 10.00 24.30500 Mg( 1.00) 16 Sym. Ops., with inversion, found (12 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 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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 ) ( 0.0000000 ) 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= 295 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0033898 k( 3) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0033898 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0033898 k( 6) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0033898 k( 7) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0033898 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0033898 k( 10) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0033898 k( 11) = ( 0.0000000 0.1515151 -0.0000000), wk = 0.0033898 k( 12) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0033898 k( 13) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0033898 k( 14) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0033898 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0033898 k( 16) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0033898 k( 17) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0033898 k( 18) = ( 0.0000000 0.2575758 -0.0000000), wk = 0.0033898 k( 19) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0033898 k( 20) = ( 0.0000000 0.2878788 -0.0000000), wk = 0.0033898 k( 21) = ( 0.0000000 0.3030303 -0.0000000), wk = 0.0033898 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033898 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033898 k( 24) = ( 0.0000000 0.3484849 -0.0000000), wk = 0.0033898 k( 25) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0033898 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0033898 k( 27) = ( 0.0000000 0.3939394 -0.0000000), wk = 0.0033898 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0033898 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0033898 k( 30) = ( 0.0000000 0.4393939 -0.0000000), wk = 0.0033898 k( 31) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0033898 k( 32) = ( 0.0000000 0.4696970 -0.0000000), wk = 0.0033898 k( 33) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0033898 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 35) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 36) = ( 0.0151515 0.5000000 -0.0000000), wk = 0.0033898 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.0606061 0.5000000 -0.0000000), wk = 0.0033898 k( 40) = ( 0.0757576 0.5000000 -0.0000000), wk = 0.0033898 k( 41) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0033898 k( 42) = ( 0.1060606 0.5000000 -0.0000000), wk = 0.0033898 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0033898 k( 45) = ( 0.1515151 0.5000000 -0.0000000), wk = 0.0033898 k( 46) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0033898 k( 47) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0033898 k( 48) = ( 0.1969697 0.5000000 -0.0000000), wk = 0.0033898 k( 49) = ( 0.2121212 0.5000000 -0.0000000), wk = 0.0033898 k( 50) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0033898 k( 51) = ( 0.2424242 0.5000000 -0.0000000), wk = 0.0033898 k( 52) = ( 0.2575758 0.5000000 -0.0000000), wk = 0.0033898 k( 53) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0033898 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3030303 0.5000000 -0.0000000), wk = 0.0033898 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3787879 0.5000000 -0.0000000), wk = 0.0033898 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0033898 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0033898 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0033898 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0033898 k( 65) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0033898 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0033898 k( 67) = ( 0.4848485 0.5000000 -0.0000000), wk = 0.0033898 k( 68) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 69) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0033898 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0033898 k( 72) = ( 0.4680851 0.4680851 -0.0000000), wk = 0.0033898 k( 73) = ( 0.4574468 0.4574468 -0.0000000), wk = 0.0033898 k( 74) = ( 0.4468085 0.4468085 -0.0000000), wk = 0.0033898 k( 75) = ( 0.4361702 0.4361702 -0.0000000), wk = 0.0033898 k( 76) = ( 0.4255319 0.4255319 -0.0000000), wk = 0.0033898 k( 77) = ( 0.4148936 0.4148936 -0.0000000), wk = 0.0033898 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0033898 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0033898 k( 80) = ( 0.3829787 0.3829787 -0.0000000), wk = 0.0033898 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0033898 k( 82) = ( 0.3617021 0.3617021 -0.0000000), wk = 0.0033898 k( 83) = ( 0.3510638 0.3510638 -0.0000000), wk = 0.0033898 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0033898 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0033898 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0033898 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0033898 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0033898 k( 91) = ( 0.2659574 0.2659574 -0.0000000), wk = 0.0033898 k( 92) = ( 0.2553191 0.2553191 -0.0000000), wk = 0.0033898 k( 93) = ( 0.2446809 0.2446808 -0.0000000), wk = 0.0033898 k( 94) = ( 0.2340425 0.2340425 -0.0000000), wk = 0.0033898 k( 95) = ( 0.2234043 0.2234043 -0.0000000), wk = 0.0033898 k( 96) = ( 0.2127660 0.2127660 -0.0000000), wk = 0.0033898 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0033898 k( 99) = ( 0.1808511 0.1808511 -0.0000000), wk = 0.0033898 k( 100) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0033898 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0033898 k( 103) = ( 0.1382979 0.1382979 -0.0000000), wk = 0.0033898 k( 104) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0033898 k( 105) = ( 0.1170213 0.1170213 -0.0000000), wk = 0.0033898 k( 106) = ( 0.1063830 0.1063830 -0.0000000), wk = 0.0033898 k( 107) = ( 0.0957447 0.0957447 -0.0000000), wk = 0.0033898 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0744681 0.0744681 -0.0000000), wk = 0.0033898 k( 110) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0033898 k( 111) = ( 0.0531915 0.0531915 -0.0000000), wk = 0.0033898 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0319149 0.0319149 -0.0000000), wk = 0.0033898 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0146672), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0293343), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0440015), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.0586686), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.0733358), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.0880029), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.1026701), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.1173372), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.1320044), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.1466715), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.1613387), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.1760059), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.1906730), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.2053402), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.2200073), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.2346745), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.2493416), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.2640088), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.2786759), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.2933431), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.2933431), wk = 0.0033898 k( 139) = ( 0.0000000 0.0151515 0.2933431), wk = 0.0033898 k( 140) = ( 0.0000000 0.0303030 0.2933431), wk = 0.0033898 k( 141) = ( 0.0000000 0.0454546 0.2933431), wk = 0.0033898 k( 142) = ( 0.0000000 0.0606061 0.2933431), wk = 0.0033898 k( 143) = ( 0.0000000 0.0757576 0.2933431), wk = 0.0033898 k( 144) = ( 0.0000000 0.0909091 0.2933431), wk = 0.0033898 k( 145) = ( 0.0000000 0.1060606 0.2933431), wk = 0.0033898 k( 146) = ( 0.0000000 0.1212121 0.2933431), wk = 0.0033898 k( 147) = ( 0.0000000 0.1363636 0.2933431), wk = 0.0033898 k( 148) = ( 0.0000000 0.1515151 0.2933431), wk = 0.0033898 k( 149) = ( 0.0000000 0.1666667 0.2933431), wk = 0.0033898 k( 150) = ( 0.0000000 0.1818182 0.2933431), wk = 0.0033898 k( 151) = ( 0.0000000 0.1969697 0.2933431), wk = 0.0033898 k( 152) = ( 0.0000000 0.2121212 0.2933431), wk = 0.0033898 k( 153) = ( 0.0000000 0.2272727 0.2933431), wk = 0.0033898 k( 154) = ( 0.0000000 0.2424242 0.2933431), wk = 0.0033898 k( 155) = ( 0.0000000 0.2575758 0.2933431), wk = 0.0033898 k( 156) = ( 0.0000000 0.2727273 0.2933431), wk = 0.0033898 k( 157) = ( 0.0000000 0.2878788 0.2933431), wk = 0.0033898 k( 158) = ( 0.0000000 0.3030303 0.2933431), wk = 0.0033898 k( 159) = ( 0.0000000 0.3181818 0.2933431), wk = 0.0033898 k( 160) = ( 0.0000000 0.3333333 0.2933431), wk = 0.0033898 k( 161) = ( 0.0000000 0.3484849 0.2933431), wk = 0.0033898 k( 162) = ( 0.0000000 0.3636364 0.2933431), wk = 0.0033898 k( 163) = ( 0.0000000 0.3787879 0.2933431), wk = 0.0033898 k( 164) = ( 0.0000000 0.3939394 0.2933431), wk = 0.0033898 k( 165) = ( 0.0000000 0.4090909 0.2933431), wk = 0.0033898 k( 166) = ( 0.0000000 0.4242424 0.2933431), wk = 0.0033898 k( 167) = ( 0.0000000 0.4393939 0.2933431), wk = 0.0033898 k( 168) = ( 0.0000000 0.4545455 0.2933431), wk = 0.0033898 k( 169) = ( 0.0000000 0.4696970 0.2933431), wk = 0.0033898 k( 170) = ( 0.0000000 0.4848485 0.2933431), wk = 0.0033898 k( 171) = ( 0.0000000 0.5000000 0.2933431), wk = 0.0033898 k( 172) = ( 0.0000000 0.5000000 0.2933431), wk = 0.0033898 k( 173) = ( 0.0151515 0.5000000 0.2933431), wk = 0.0033898 k( 174) = ( 0.0303030 0.5000000 0.2933431), wk = 0.0033898 k( 175) = ( 0.0454546 0.5000000 0.2933431), wk = 0.0033898 k( 176) = ( 0.0606061 0.5000000 0.2933431), wk = 0.0033898 k( 177) = ( 0.0757576 0.5000000 0.2933431), wk = 0.0033898 k( 178) = ( 0.0909091 0.5000000 0.2933431), wk = 0.0033898 k( 179) = ( 0.1060606 0.5000000 0.2933431), wk = 0.0033898 k( 180) = ( 0.1212121 0.5000000 0.2933431), wk = 0.0033898 k( 181) = ( 0.1363636 0.5000000 0.2933431), wk = 0.0033898 k( 182) = ( 0.1515151 0.5000000 0.2933431), wk = 0.0033898 k( 183) = ( 0.1666667 0.5000000 0.2933431), wk = 0.0033898 k( 184) = ( 0.1818182 0.5000000 0.2933431), wk = 0.0033898 k( 185) = ( 0.1969697 0.5000000 0.2933431), wk = 0.0033898 k( 186) = ( 0.2121212 0.5000000 0.2933431), wk = 0.0033898 k( 187) = ( 0.2272727 0.5000000 0.2933431), wk = 0.0033898 k( 188) = ( 0.2424242 0.5000000 0.2933431), wk = 0.0033898 k( 189) = ( 0.2575758 0.5000000 0.2933431), wk = 0.0033898 k( 190) = ( 0.2727273 0.5000000 0.2933431), wk = 0.0033898 k( 191) = ( 0.2878788 0.5000000 0.2933431), wk = 0.0033898 k( 192) = ( 0.3030303 0.5000000 0.2933431), wk = 0.0033898 k( 193) = ( 0.3181818 0.5000000 0.2933431), wk = 0.0033898 k( 194) = ( 0.3333333 0.5000000 0.2933431), wk = 0.0033898 k( 195) = ( 0.3484849 0.5000000 0.2933431), wk = 0.0033898 k( 196) = ( 0.3636364 0.5000000 0.2933431), wk = 0.0033898 k( 197) = ( 0.3787879 0.5000000 0.2933431), wk = 0.0033898 k( 198) = ( 0.3939394 0.5000000 0.2933431), wk = 0.0033898 k( 199) = ( 0.4090909 0.5000000 0.2933431), wk = 0.0033898 k( 200) = ( 0.4242424 0.5000000 0.2933431), wk = 0.0033898 k( 201) = ( 0.4393939 0.5000000 0.2933431), wk = 0.0033898 k( 202) = ( 0.4545455 0.5000000 0.2933431), wk = 0.0033898 k( 203) = ( 0.4696970 0.5000000 0.2933431), wk = 0.0033898 k( 204) = ( 0.4848485 0.5000000 0.2933431), wk = 0.0033898 k( 205) = ( 0.5000000 0.5000000 0.2933431), wk = 0.0033898 k( 206) = ( 0.5000000 0.5000000 0.2933431), wk = 0.0033898 k( 207) = ( 0.4893617 0.4893617 0.2933431), wk = 0.0033898 k( 208) = ( 0.4787234 0.4787234 0.2933431), wk = 0.0033898 k( 209) = ( 0.4680851 0.4680851 0.2933431), wk = 0.0033898 k( 210) = ( 0.4574468 0.4574468 0.2933431), wk = 0.0033898 k( 211) = ( 0.4468085 0.4468085 0.2933431), wk = 0.0033898 k( 212) = ( 0.4361702 0.4361702 0.2933431), wk = 0.0033898 k( 213) = ( 0.4255319 0.4255319 0.2933431), wk = 0.0033898 k( 214) = ( 0.4148936 0.4148936 0.2933431), wk = 0.0033898 k( 215) = ( 0.4042553 0.4042553 0.2933431), wk = 0.0033898 k( 216) = ( 0.3936170 0.3936170 0.2933431), wk = 0.0033898 k( 217) = ( 0.3829787 0.3829787 0.2933431), wk = 0.0033898 k( 218) = ( 0.3723404 0.3723404 0.2933431), wk = 0.0033898 k( 219) = ( 0.3617021 0.3617021 0.2933431), wk = 0.0033898 k( 220) = ( 0.3510638 0.3510638 0.2933431), wk = 0.0033898 k( 221) = ( 0.3404255 0.3404255 0.2933431), wk = 0.0033898 k( 222) = ( 0.3297872 0.3297872 0.2933431), wk = 0.0033898 k( 223) = ( 0.3191489 0.3191489 0.2933431), wk = 0.0033898 k( 224) = ( 0.3085106 0.3085106 0.2933431), wk = 0.0033898 k( 225) = ( 0.2978723 0.2978723 0.2933431), wk = 0.0033898 k( 226) = ( 0.2872340 0.2872340 0.2933431), wk = 0.0033898 k( 227) = ( 0.2765957 0.2765957 0.2933431), wk = 0.0033898 k( 228) = ( 0.2659574 0.2659574 0.2933431), wk = 0.0033898 k( 229) = ( 0.2553191 0.2553191 0.2933431), wk = 0.0033898 k( 230) = ( 0.2446809 0.2446808 0.2933431), wk = 0.0033898 k( 231) = ( 0.2340425 0.2340425 0.2933431), wk = 0.0033898 k( 232) = ( 0.2234043 0.2234043 0.2933431), wk = 0.0033898 k( 233) = ( 0.2127660 0.2127660 0.2933431), wk = 0.0033898 k( 234) = ( 0.2021277 0.2021277 0.2933431), wk = 0.0033898 k( 235) = ( 0.1914894 0.1914894 0.2933431), wk = 0.0033898 k( 236) = ( 0.1808511 0.1808511 0.2933431), wk = 0.0033898 k( 237) = ( 0.1702128 0.1702128 0.2933431), wk = 0.0033898 k( 238) = ( 0.1595745 0.1595745 0.2933431), wk = 0.0033898 k( 239) = ( 0.1489362 0.1489362 0.2933431), wk = 0.0033898 k( 240) = ( 0.1382979 0.1382979 0.2933431), wk = 0.0033898 k( 241) = ( 0.1276596 0.1276596 0.2933431), wk = 0.0033898 k( 242) = ( 0.1170213 0.1170213 0.2933431), wk = 0.0033898 k( 243) = ( 0.1063830 0.1063830 0.2933431), wk = 0.0033898 k( 244) = ( 0.0957447 0.0957447 0.2933431), wk = 0.0033898 k( 245) = ( 0.0851064 0.0851064 0.2933431), wk = 0.0033898 k( 246) = ( 0.0744681 0.0744681 0.2933431), wk = 0.0033898 k( 247) = ( 0.0638298 0.0638298 0.2933431), wk = 0.0033898 k( 248) = ( 0.0531915 0.0531915 0.2933431), wk = 0.0033898 k( 249) = ( 0.0425532 0.0425532 0.2933431), wk = 0.0033898 k( 250) = ( 0.0319149 0.0319149 0.2933431), wk = 0.0033898 k( 251) = ( 0.0212766 0.0212766 0.2933431), wk = 0.0033898 k( 252) = ( 0.0106383 0.0106383 0.2933431), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.2933431), wk = 0.0033898 k( 254) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033898 k( 255) = ( 0.0000000 0.5000000 0.0146672), wk = 0.0033898 k( 256) = ( 0.0000000 0.5000000 0.0293343), wk = 0.0033898 k( 257) = ( 0.0000000 0.5000000 0.0440015), wk = 0.0033898 k( 258) = ( 0.0000000 0.5000000 0.0586686), wk = 0.0033898 k( 259) = ( 0.0000000 0.5000000 0.0733358), wk = 0.0033898 k( 260) = ( 0.0000000 0.5000000 0.0880029), wk = 0.0033898 k( 261) = ( 0.0000000 0.5000000 0.1026701), wk = 0.0033898 k( 262) = ( 0.0000000 0.5000000 0.1173372), wk = 0.0033898 k( 263) = ( 0.0000000 0.5000000 0.1320044), wk = 0.0033898 k( 264) = ( 0.0000000 0.5000000 0.1466715), wk = 0.0033898 k( 265) = ( 0.0000000 0.5000000 0.1613387), wk = 0.0033898 k( 266) = ( 0.0000000 0.5000000 0.1760059), wk = 0.0033898 k( 267) = ( 0.0000000 0.5000000 0.1906730), wk = 0.0033898 k( 268) = ( 0.0000000 0.5000000 0.2053402), wk = 0.0033898 k( 269) = ( 0.0000000 0.5000000 0.2200073), wk = 0.0033898 k( 270) = ( 0.0000000 0.5000000 0.2346745), wk = 0.0033898 k( 271) = ( 0.0000000 0.5000000 0.2493416), wk = 0.0033898 k( 272) = ( 0.0000000 0.5000000 0.2640088), wk = 0.0033898 k( 273) = ( 0.0000000 0.5000000 0.2786759), wk = 0.0033898 k( 274) = ( 0.0000000 0.5000000 0.2933431), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 0.0146672), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 0.0293343), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 0.0440015), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 0.0586686), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 0.0733358), wk = 0.0033898 k( 281) = ( 0.5000000 0.5000000 0.0880029), wk = 0.0033898 k( 282) = ( 0.5000000 0.5000000 0.1026701), wk = 0.0033898 k( 283) = ( 0.5000000 0.5000000 0.1173372), wk = 0.0033898 k( 284) = ( 0.5000000 0.5000000 0.1320044), wk = 0.0033898 k( 285) = ( 0.5000000 0.5000000 0.1466715), wk = 0.0033898 k( 286) = ( 0.5000000 0.5000000 0.1613387), wk = 0.0033898 k( 287) = ( 0.5000000 0.5000000 0.1760059), wk = 0.0033898 k( 288) = ( 0.5000000 0.5000000 0.1906730), wk = 0.0033898 k( 289) = ( 0.5000000 0.5000000 0.2053402), wk = 0.0033898 k( 290) = ( 0.5000000 0.5000000 0.2200073), wk = 0.0033898 k( 291) = ( 0.5000000 0.5000000 0.2346745), wk = 0.0033898 k( 292) = ( 0.5000000 0.5000000 0.2493416), wk = 0.0033898 k( 293) = ( 0.5000000 0.5000000 0.2640088), wk = 0.0033898 k( 294) = ( 0.5000000 0.5000000 0.2786759), wk = 0.0033898 k( 295) = ( 0.5000000 0.5000000 0.2933431), wk = 0.0033898 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 2) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0033898 k( 3) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0033898 k( 4) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0033898 k( 5) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0033898 k( 6) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0033898 k( 7) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0033898 k( 8) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0033898 k( 9) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0033898 k( 10) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0033898 k( 11) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0033898 k( 12) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0033898 k( 13) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0033898 k( 14) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0033898 k( 15) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0033898 k( 16) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0033898 k( 17) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0033898 k( 18) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0033898 k( 19) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0033898 k( 20) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0033898 k( 21) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0033898 k( 22) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0033898 k( 23) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0033898 k( 24) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0033898 k( 25) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0033898 k( 26) = ( 0.0000000 0.3787879 -0.0000000), wk = 0.0033898 k( 27) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0033898 k( 28) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0033898 k( 29) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0033898 k( 30) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0033898 k( 31) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0033898 k( 32) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0033898 k( 33) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0033898 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033898 k( 35) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033898 k( 36) = ( 0.0151515 0.5000000 0.0000000), wk = 0.0033898 k( 37) = ( 0.0303030 0.5000000 -0.0000000), wk = 0.0033898 k( 38) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0033898 k( 39) = ( 0.0606061 0.5000000 0.0000000), wk = 0.0033898 k( 40) = ( 0.0757576 0.5000000 0.0000000), wk = 0.0033898 k( 41) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0033898 k( 42) = ( 0.1060606 0.5000000 0.0000000), wk = 0.0033898 k( 43) = ( 0.1212121 0.5000000 -0.0000000), wk = 0.0033898 k( 44) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0033898 k( 45) = ( 0.1515151 0.5000000 0.0000000), wk = 0.0033898 k( 46) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0033898 k( 47) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0033898 k( 48) = ( 0.1969697 0.5000000 0.0000000), wk = 0.0033898 k( 49) = ( 0.2121212 0.5000000 0.0000000), wk = 0.0033898 k( 50) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0033898 k( 51) = ( 0.2424242 0.5000000 0.0000000), wk = 0.0033898 k( 52) = ( 0.2575758 0.5000000 0.0000000), wk = 0.0033898 k( 53) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0033898 k( 54) = ( 0.2878788 0.5000000 -0.0000000), wk = 0.0033898 k( 55) = ( 0.3030303 0.5000000 0.0000000), wk = 0.0033898 k( 56) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0033898 k( 57) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0033898 k( 58) = ( 0.3484849 0.5000000 -0.0000000), wk = 0.0033898 k( 59) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0033898 k( 60) = ( 0.3787879 0.5000000 0.0000000), wk = 0.0033898 k( 61) = ( 0.3939394 0.5000000 -0.0000000), wk = 0.0033898 k( 62) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0033898 k( 63) = ( 0.4242424 0.5000000 -0.0000000), wk = 0.0033898 k( 64) = ( 0.4393939 0.5000000 -0.0000000), wk = 0.0033898 k( 65) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0033898 k( 66) = ( 0.4696970 0.5000000 -0.0000000), wk = 0.0033898 k( 67) = ( 0.4848485 0.5000000 0.0000000), wk = 0.0033898 k( 68) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 69) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 70) = ( 0.4893617 0.4893617 -0.0000000), wk = 0.0033898 k( 71) = ( 0.4787234 0.4787234 -0.0000000), wk = 0.0033898 k( 72) = ( 0.4680851 0.4680851 0.0000000), wk = 0.0033898 k( 73) = ( 0.4574468 0.4574468 0.0000000), wk = 0.0033898 k( 74) = ( 0.4468085 0.4468085 0.0000000), wk = 0.0033898 k( 75) = ( 0.4361702 0.4361702 0.0000000), wk = 0.0033898 k( 76) = ( 0.4255319 0.4255319 0.0000000), wk = 0.0033898 k( 77) = ( 0.4148936 0.4148936 0.0000000), wk = 0.0033898 k( 78) = ( 0.4042553 0.4042553 -0.0000000), wk = 0.0033898 k( 79) = ( 0.3936170 0.3936170 -0.0000000), wk = 0.0033898 k( 80) = ( 0.3829787 0.3829787 0.0000000), wk = 0.0033898 k( 81) = ( 0.3723404 0.3723404 -0.0000000), wk = 0.0033898 k( 82) = ( 0.3617021 0.3617021 0.0000000), wk = 0.0033898 k( 83) = ( 0.3510638 0.3510638 0.0000000), wk = 0.0033898 k( 84) = ( 0.3404255 0.3404255 -0.0000000), wk = 0.0033898 k( 85) = ( 0.3297872 0.3297872 -0.0000000), wk = 0.0033898 k( 86) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0033898 k( 87) = ( 0.3085106 0.3085106 -0.0000000), wk = 0.0033898 k( 88) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0033898 k( 89) = ( 0.2872340 0.2872340 -0.0000000), wk = 0.0033898 k( 90) = ( 0.2765957 0.2765957 0.0000000), wk = 0.0033898 k( 91) = ( 0.2659574 0.2659574 0.0000000), wk = 0.0033898 k( 92) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0033898 k( 93) = ( 0.2446809 0.2446809 -0.0000000), wk = 0.0033898 k( 94) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0033898 k( 95) = ( 0.2234043 0.2234043 0.0000000), wk = 0.0033898 k( 96) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0033898 k( 97) = ( 0.2021277 0.2021277 -0.0000000), wk = 0.0033898 k( 98) = ( 0.1914894 0.1914894 0.0000000), wk = 0.0033898 k( 99) = ( 0.1808511 0.1808511 0.0000000), wk = 0.0033898 k( 100) = ( 0.1702128 0.1702128 0.0000000), wk = 0.0033898 k( 101) = ( 0.1595745 0.1595745 -0.0000000), wk = 0.0033898 k( 102) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0033898 k( 103) = ( 0.1382979 0.1382979 0.0000000), wk = 0.0033898 k( 104) = ( 0.1276596 0.1276596 0.0000000), wk = 0.0033898 k( 105) = ( 0.1170213 0.1170213 0.0000000), wk = 0.0033898 k( 106) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0033898 k( 107) = ( 0.0957447 0.0957447 0.0000000), wk = 0.0033898 k( 108) = ( 0.0851064 0.0851064 -0.0000000), wk = 0.0033898 k( 109) = ( 0.0744681 0.0744681 0.0000000), wk = 0.0033898 k( 110) = ( 0.0638298 0.0638298 0.0000000), wk = 0.0033898 k( 111) = ( 0.0531915 0.0531915 0.0000000), wk = 0.0033898 k( 112) = ( 0.0425532 0.0425532 -0.0000000), wk = 0.0033898 k( 113) = ( 0.0319149 0.0319149 0.0000000), wk = 0.0033898 k( 114) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0033898 k( 115) = ( 0.0106383 0.0106383 -0.0000000), wk = 0.0033898 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033898 k( 118) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033898 k( 119) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033898 k( 120) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033898 k( 121) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033898 k( 122) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033898 k( 123) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033898 k( 124) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033898 k( 125) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033898 k( 126) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033898 k( 127) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033898 k( 128) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033898 k( 129) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033898 k( 130) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033898 k( 131) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033898 k( 132) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033898 k( 133) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033898 k( 134) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033898 k( 135) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033898 k( 136) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033898 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 139) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0033898 k( 140) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0033898 k( 141) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0033898 k( 142) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0033898 k( 143) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0033898 k( 144) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0033898 k( 145) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0033898 k( 146) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0033898 k( 147) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0033898 k( 148) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0033898 k( 149) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0033898 k( 150) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0033898 k( 151) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0033898 k( 152) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0033898 k( 153) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0033898 k( 154) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0033898 k( 155) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0033898 k( 156) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0033898 k( 157) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0033898 k( 158) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0033898 k( 159) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0033898 k( 160) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0033898 k( 161) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0033898 k( 162) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0033898 k( 163) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0033898 k( 164) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0033898 k( 165) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0033898 k( 166) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0033898 k( 167) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0033898 k( 168) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0033898 k( 169) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0033898 k( 170) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0033898 k( 171) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 172) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 173) = ( 0.0151515 0.5000000 0.5000000), wk = 0.0033898 k( 174) = ( 0.0303030 0.5000000 0.5000000), wk = 0.0033898 k( 175) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0033898 k( 176) = ( 0.0606061 0.5000000 0.5000000), wk = 0.0033898 k( 177) = ( 0.0757576 0.5000000 0.5000000), wk = 0.0033898 k( 178) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0033898 k( 179) = ( 0.1060606 0.5000000 0.5000000), wk = 0.0033898 k( 180) = ( 0.1212121 0.5000000 0.5000000), wk = 0.0033898 k( 181) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0033898 k( 182) = ( 0.1515151 0.5000000 0.5000000), wk = 0.0033898 k( 183) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0033898 k( 184) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0033898 k( 185) = ( 0.1969697 0.5000000 0.5000000), wk = 0.0033898 k( 186) = ( 0.2121212 0.5000000 0.5000000), wk = 0.0033898 k( 187) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0033898 k( 188) = ( 0.2424242 0.5000000 0.5000000), wk = 0.0033898 k( 189) = ( 0.2575758 0.5000000 0.5000000), wk = 0.0033898 k( 190) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0033898 k( 191) = ( 0.2878788 0.5000000 0.5000000), wk = 0.0033898 k( 192) = ( 0.3030303 0.5000000 0.5000000), wk = 0.0033898 k( 193) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0033898 k( 194) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0033898 k( 195) = ( 0.3484849 0.5000000 0.5000000), wk = 0.0033898 k( 196) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0033898 k( 197) = ( 0.3787879 0.5000000 0.5000000), wk = 0.0033898 k( 198) = ( 0.3939394 0.5000000 0.5000000), wk = 0.0033898 k( 199) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0033898 k( 200) = ( 0.4242424 0.5000000 0.5000000), wk = 0.0033898 k( 201) = ( 0.4393939 0.5000000 0.5000000), wk = 0.0033898 k( 202) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0033898 k( 203) = ( 0.4696970 0.5000000 0.5000000), wk = 0.0033898 k( 204) = ( 0.4848485 0.5000000 0.5000000), wk = 0.0033898 k( 205) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 206) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 k( 207) = ( 0.4893617 0.4893617 0.5000000), wk = 0.0033898 k( 208) = ( 0.4787234 0.4787234 0.5000000), wk = 0.0033898 k( 209) = ( 0.4680851 0.4680851 0.5000000), wk = 0.0033898 k( 210) = ( 0.4574468 0.4574468 0.5000000), wk = 0.0033898 k( 211) = ( 0.4468085 0.4468085 0.5000000), wk = 0.0033898 k( 212) = ( 0.4361702 0.4361702 0.5000000), wk = 0.0033898 k( 213) = ( 0.4255319 0.4255319 0.5000000), wk = 0.0033898 k( 214) = ( 0.4148936 0.4148936 0.5000000), wk = 0.0033898 k( 215) = ( 0.4042553 0.4042553 0.5000000), wk = 0.0033898 k( 216) = ( 0.3936170 0.3936170 0.5000000), wk = 0.0033898 k( 217) = ( 0.3829787 0.3829787 0.5000000), wk = 0.0033898 k( 218) = ( 0.3723404 0.3723404 0.5000000), wk = 0.0033898 k( 219) = ( 0.3617021 0.3617021 0.5000000), wk = 0.0033898 k( 220) = ( 0.3510638 0.3510638 0.5000000), wk = 0.0033898 k( 221) = ( 0.3404255 0.3404255 0.5000000), wk = 0.0033898 k( 222) = ( 0.3297872 0.3297872 0.5000000), wk = 0.0033898 k( 223) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0033898 k( 224) = ( 0.3085106 0.3085106 0.5000000), wk = 0.0033898 k( 225) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0033898 k( 226) = ( 0.2872340 0.2872340 0.5000000), wk = 0.0033898 k( 227) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0033898 k( 228) = ( 0.2659574 0.2659574 0.5000000), wk = 0.0033898 k( 229) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0033898 k( 230) = ( 0.2446809 0.2446809 0.5000000), wk = 0.0033898 k( 231) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0033898 k( 232) = ( 0.2234043 0.2234043 0.5000000), wk = 0.0033898 k( 233) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0033898 k( 234) = ( 0.2021277 0.2021277 0.5000000), wk = 0.0033898 k( 235) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0033898 k( 236) = ( 0.1808511 0.1808511 0.5000000), wk = 0.0033898 k( 237) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0033898 k( 238) = ( 0.1595745 0.1595745 0.5000000), wk = 0.0033898 k( 239) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0033898 k( 240) = ( 0.1382979 0.1382979 0.5000000), wk = 0.0033898 k( 241) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0033898 k( 242) = ( 0.1170213 0.1170213 0.5000000), wk = 0.0033898 k( 243) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0033898 k( 244) = ( 0.0957447 0.0957447 0.5000000), wk = 0.0033898 k( 245) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0033898 k( 246) = ( 0.0744681 0.0744681 0.5000000), wk = 0.0033898 k( 247) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0033898 k( 248) = ( 0.0531915 0.0531915 0.5000000), wk = 0.0033898 k( 249) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0033898 k( 250) = ( 0.0319149 0.0319149 0.5000000), wk = 0.0033898 k( 251) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0033898 k( 252) = ( 0.0106383 0.0106383 0.5000000), wk = 0.0033898 k( 253) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033898 k( 254) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033898 k( 255) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0033898 k( 256) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0033898 k( 257) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0033898 k( 258) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0033898 k( 259) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0033898 k( 260) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0033898 k( 261) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0033898 k( 262) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0033898 k( 263) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0033898 k( 264) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0033898 k( 265) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0033898 k( 266) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0033898 k( 267) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0033898 k( 268) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0033898 k( 269) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0033898 k( 270) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0033898 k( 271) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0033898 k( 272) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0033898 k( 273) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0033898 k( 274) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033898 k( 275) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033898 k( 276) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0033898 k( 277) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0033898 k( 278) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0033898 k( 279) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0033898 k( 280) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0033898 k( 281) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0033898 k( 282) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0033898 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0033898 k( 284) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0033898 k( 285) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0033898 k( 286) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0033898 k( 287) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0033898 k( 288) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0033898 k( 289) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0033898 k( 290) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0033898 k( 291) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0033898 k( 292) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0033898 k( 293) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0033898 k( 294) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0033898 k( 295) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033898 Dense grid: 164057 G-vectors FFT dimensions: ( 60, 60, 100) Smooth grid: 78503 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 548, 58) NL pseudopotentials 0.69 Mb ( 274, 164) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 4561) G-vector shells 0.02 Mb ( 2081) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.94 Mb ( 548, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.29 Mb ( 164, 2, 58) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./KMgSb.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 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.3 secs Computing kpt #: 5 total cpu time spent up to now is 7.3 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.5 secs Computing kpt #: 11 total cpu time spent up to now is 12.4 secs Computing kpt #: 12 total cpu time spent up to now is 13.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.1 secs Computing kpt #: 14 total cpu time spent up to now is 14.9 secs Computing kpt #: 15 total cpu time spent up to now is 15.8 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.5 secs Computing kpt #: 18 total cpu time spent up to now is 18.3 secs Computing kpt #: 19 total cpu time spent up to now is 19.1 secs Computing kpt #: 20 total cpu time spent up to now is 20.0 secs Computing kpt #: 21 total cpu time spent up to now is 21.0 secs Computing kpt #: 22 total cpu time spent up to now is 22.0 secs Computing kpt #: 23 total cpu time spent up to now is 23.1 secs Computing kpt #: 24 total cpu time spent up to now is 24.1 secs Computing kpt #: 25 total cpu time spent up to now is 25.1 secs Computing kpt #: 26 total cpu time spent up to now is 26.1 secs Computing kpt #: 27 total cpu time spent up to now is 27.1 secs Computing kpt #: 28 total cpu time spent up to now is 28.1 secs Computing kpt #: 29 total cpu time spent up to now is 29.1 secs Computing kpt #: 30 total cpu time spent up to now is 30.1 secs Computing kpt #: 31 total cpu time spent up to now is 31.0 secs Computing kpt #: 32 total cpu time spent up to now is 32.0 secs Computing kpt #: 33 total cpu time spent up to now is 33.1 secs Computing kpt #: 34 total cpu time spent up to now is 34.0 secs Computing kpt #: 35 total cpu time spent up to now is 34.9 secs Computing kpt #: 36 total cpu time spent up to now is 35.9 secs Computing kpt #: 37 total cpu time spent up to now is 36.8 secs Computing kpt #: 38 total cpu time spent up to now is 37.7 secs Computing kpt #: 39 total cpu time spent up to now is 38.6 secs Computing kpt #: 40 total cpu time spent up to now is 39.5 secs Computing kpt #: 41 total cpu time spent up to now is 40.4 secs Computing kpt #: 42 total cpu time spent up to now is 41.3 secs Computing kpt #: 43 total cpu time spent up to now is 42.2 secs Computing kpt #: 44 total cpu time spent up to now is 43.2 secs Computing kpt #: 45 total cpu time spent up to now is 44.1 secs Computing kpt #: 46 total cpu time spent up to now is 45.1 secs Computing kpt #: 47 total cpu time spent up to now is 46.0 secs Computing kpt #: 48 total cpu time spent up to now is 47.0 secs Computing kpt #: 49 total cpu time spent up to now is 48.0 secs Computing kpt #: 50 total cpu time spent up to now is 49.0 secs Computing kpt #: 51 total cpu time spent up to now is 50.4 secs Computing kpt #: 52 total cpu time spent up to now is 51.6 secs Computing kpt #: 53 total cpu time spent up to now is 52.6 secs Computing kpt #: 54 total cpu time spent up to now is 53.9 secs Computing kpt #: 55 total cpu time spent up to now is 54.9 secs Computing kpt #: 56 total cpu time spent up to now is 56.2 secs Computing kpt #: 57 total cpu time spent up to now is 57.4 secs Computing kpt #: 58 total cpu time spent up to now is 58.7 secs Computing kpt #: 59 total cpu time spent up to now is 60.0 secs Computing kpt #: 60 total cpu time spent up to now is 61.2 secs Computing kpt #: 61 total cpu time spent up to now is 62.5 secs Computing kpt #: 62 total cpu time spent up to now is 63.8 secs Computing kpt #: 63 total cpu time spent up to now is 64.8 secs Computing kpt #: 64 total cpu time spent up to now is 66.1 secs Computing kpt #: 65 total cpu time spent up to now is 67.3 secs Computing kpt #: 66 total cpu time spent up to now is 68.6 secs Computing kpt #: 67 total cpu time spent up to now is 69.9 secs Computing kpt #: 68 total cpu time spent up to now is 70.7 secs Computing kpt #: 69 total cpu time spent up to now is 71.5 secs Computing kpt #: 70 total cpu time spent up to now is 73.4 secs Computing kpt #: 71 total cpu time spent up to now is 74.4 secs Computing kpt #: 72 total cpu time spent up to now is 75.4 secs Computing kpt #: 73 total cpu time spent up to now is 76.4 secs Computing kpt #: 74 total cpu time spent up to now is 77.5 secs Computing kpt #: 75 total cpu time spent up to now is 78.5 secs Computing kpt #: 76 total cpu time spent up to now is 79.5 secs Computing kpt #: 77 total cpu time spent up to now is 80.5 secs Computing kpt #: 78 total cpu time spent up to now is 81.5 secs Computing kpt #: 79 total cpu time spent up to now is 82.6 secs Computing kpt #: 80 total cpu time spent up to now is 83.6 secs Computing kpt #: 81 total cpu time spent up to now is 84.7 secs Computing kpt #: 82 total cpu time spent up to now is 85.8 secs Computing kpt #: 83 total cpu time spent up to now is 86.9 secs Computing kpt #: 84 total cpu time spent up to now is 87.9 secs Computing kpt #: 85 total cpu time spent up to now is 88.9 secs Computing kpt #: 86 total cpu time spent up to now is 89.9 secs Computing kpt #: 87 total cpu time spent up to now is 90.9 secs Computing kpt #: 88 total cpu time spent up to now is 91.9 secs Computing kpt #: 89 total cpu time spent up to now is 92.9 secs Computing kpt #: 90 total cpu time spent up to now is 93.9 secs Computing kpt #: 91 total cpu time spent up to now is 94.8 secs Computing kpt #: 92 total cpu time spent up to now is 95.8 secs Computing kpt #: 93 total cpu time spent up to now is 96.9 secs Computing kpt #: 94 total cpu time spent up to now is 97.8 secs Computing kpt #: 95 total cpu time spent up to now is 98.9 secs Computing kpt #: 96 total cpu time spent up to now is 99.9 secs Computing kpt #: 97 total cpu time spent up to now is 100.9 secs Computing kpt #: 98 total cpu time spent up to now is 101.8 secs Computing kpt #: 99 total cpu time spent up to now is 102.7 secs Computing kpt #: 100 total cpu time spent up to now is 103.7 secs Computing kpt #: 101 total cpu time spent up to now is 104.7 secs Computing kpt #: 102 total cpu time spent up to now is 105.7 secs Computing kpt #: 103 total cpu time spent up to now is 106.7 secs Computing kpt #: 104 total cpu time spent up to now is 107.7 secs Computing kpt #: 105 total cpu time spent up to now is 108.7 secs Computing kpt #: 106 total cpu time spent up to now is 109.7 secs Computing kpt #: 107 total cpu time spent up to now is 110.6 secs Computing kpt #: 108 total cpu time spent up to now is 111.6 secs Computing kpt #: 109 total cpu time spent up to now is 112.5 secs Computing kpt #: 110 total cpu time spent up to now is 113.5 secs Computing kpt #: 111 total cpu time spent up to now is 114.5 secs Computing kpt #: 112 total cpu time spent up to now is 115.4 secs Computing kpt #: 113 total cpu time spent up to now is 116.4 secs Computing kpt #: 114 total cpu time spent up to now is 117.3 secs Computing kpt #: 115 total cpu time spent up to now is 118.3 secs Computing kpt #: 116 total cpu time spent up to now is 119.3 secs Computing kpt #: 117 total cpu time spent up to now is 120.2 secs Computing kpt #: 118 total cpu time spent up to now is 121.2 secs Computing kpt #: 119 total cpu time spent up to now is 122.2 secs Computing kpt #: 120 total cpu time spent up to now is 123.2 secs Computing kpt #: 121 total cpu time spent up to now is 124.3 secs Computing kpt #: 122 total cpu time spent up to now is 125.4 secs Computing kpt #: 123 total cpu time spent up to now is 126.4 secs Computing kpt #: 124 total cpu time spent up to now is 127.4 secs Computing kpt #: 125 total cpu time spent up to now is 128.5 secs Computing kpt #: 126 total cpu time spent up to now is 129.7 secs Computing kpt #: 127 total cpu time spent up to now is 130.9 secs Computing kpt #: 128 total cpu time spent up to now is 131.8 secs Computing kpt #: 129 total cpu time spent up to now is 132.8 secs Computing kpt #: 130 total cpu time spent up to now is 133.6 secs Computing kpt #: 131 total cpu time spent up to now is 134.4 secs Computing kpt #: 132 total cpu time spent up to now is 135.1 secs Computing kpt #: 133 total cpu time spent up to now is 135.9 secs Computing kpt #: 134 total cpu time spent up to now is 136.7 secs Computing kpt #: 135 total cpu time spent up to now is 137.5 secs Computing kpt #: 136 total cpu time spent up to now is 138.3 secs Computing kpt #: 137 total cpu time spent up to now is 139.1 secs Computing kpt #: 138 total cpu time spent up to now is 139.9 secs Computing kpt #: 139 total cpu time spent up to now is 140.7 secs Computing kpt #: 140 total cpu time spent up to now is 141.4 secs Computing kpt #: 141 total cpu time spent up to now is 142.2 secs Computing kpt #: 142 total cpu time spent up to now is 143.0 secs Computing kpt #: 143 total cpu time spent up to now is 143.8 secs Computing kpt #: 144 total cpu time spent up to now is 144.6 secs Computing kpt #: 145 total cpu time spent up to now is 145.3 secs Computing kpt #: 146 total cpu time spent up to now is 146.1 secs Computing kpt #: 147 total cpu time spent up to now is 146.9 secs Computing kpt #: 148 total cpu time spent up to now is 147.7 secs Computing kpt #: 149 total cpu time spent up to now is 148.5 secs Computing kpt #: 150 total cpu time spent up to now is 149.4 secs Computing kpt #: 151 total cpu time spent up to now is 150.2 secs Computing kpt #: 152 total cpu time spent up to now is 151.2 secs Computing kpt #: 153 total cpu time spent up to now is 152.0 secs Computing kpt #: 154 total cpu time spent up to now is 152.9 secs Computing kpt #: 155 total cpu time spent up to now is 153.7 secs Computing kpt #: 156 total cpu time spent up to now is 154.7 secs Computing kpt #: 157 total cpu time spent up to now is 155.7 secs Computing kpt #: 158 total cpu time spent up to now is 156.7 secs Computing kpt #: 159 total cpu time spent up to now is 157.7 secs Computing kpt #: 160 total cpu time spent up to now is 158.7 secs Computing kpt #: 161 total cpu time spent up to now is 159.6 secs Computing kpt #: 162 total cpu time spent up to now is 160.7 secs Computing kpt #: 163 total cpu time spent up to now is 162.1 secs Computing kpt #: 164 total cpu time spent up to now is 163.1 secs Computing kpt #: 165 total cpu time spent up to now is 164.1 secs Computing kpt #: 166 total cpu time spent up to now is 165.1 secs Computing kpt #: 167 total cpu time spent up to now is 166.1 secs Computing kpt #: 168 total cpu time spent up to now is 167.1 secs Computing kpt #: 169 total cpu time spent up to now is 168.1 secs Computing kpt #: 170 total cpu time spent up to now is 169.1 secs Computing kpt #: 171 total cpu time spent up to now is 169.9 secs Computing kpt #: 172 total cpu time spent up to now is 170.8 secs Computing kpt #: 173 total cpu time spent up to now is 171.8 secs Computing kpt #: 174 total cpu time spent up to now is 172.8 secs Computing kpt #: 175 total cpu time spent up to now is 173.9 secs Computing kpt #: 176 total cpu time spent up to now is 174.8 secs Computing kpt #: 177 total cpu time spent up to now is 175.8 secs Computing kpt #: 178 total cpu time spent up to now is 176.8 secs Computing kpt #: 179 total cpu time spent up to now is 177.8 secs Computing kpt #: 180 total cpu time spent up to now is 178.8 secs Computing kpt #: 181 total cpu time spent up to now is 179.8 secs Computing kpt #: 182 total cpu time spent up to now is 180.7 secs Computing kpt #: 183 total cpu time spent up to now is 181.6 secs Computing kpt #: 184 total cpu time spent up to now is 182.5 secs Computing kpt #: 185 total cpu time spent up to now is 183.5 secs Computing kpt #: 186 total cpu time spent up to now is 184.5 secs Computing kpt #: 187 total cpu time spent up to now is 185.5 secs Computing kpt #: 188 total cpu time spent up to now is 186.5 secs Computing kpt #: 189 total cpu time spent up to now is 187.5 secs Computing kpt #: 190 total cpu time spent up to now is 188.4 secs Computing kpt #: 191 total cpu time spent up to now is 189.3 secs Computing kpt #: 192 total cpu time spent up to now is 190.2 secs Computing kpt #: 193 total cpu time spent up to now is 191.0 secs Computing kpt #: 194 total cpu time spent up to now is 191.9 secs Computing kpt #: 195 total cpu time spent up to now is 192.9 secs Computing kpt #: 196 total cpu time spent up to now is 193.8 secs Computing kpt #: 197 total cpu time spent up to now is 194.7 secs Computing kpt #: 198 total cpu time spent up to now is 195.6 secs Computing kpt #: 199 total cpu time spent up to now is 196.6 secs Computing kpt #: 200 total cpu time spent up to now is 197.5 secs Computing kpt #: 201 total cpu time spent up to now is 198.4 secs Computing kpt #: 202 total cpu time spent up to now is 199.3 secs Computing kpt #: 203 total cpu time spent up to now is 200.2 secs Computing kpt #: 204 total cpu time spent up to now is 201.1 secs Computing kpt #: 205 total cpu time spent up to now is 202.0 secs Computing kpt #: 206 total cpu time spent up to now is 203.0 secs Computing kpt #: 207 total cpu time spent up to now is 203.9 secs Computing kpt #: 208 total cpu time spent up to now is 204.8 secs Computing kpt #: 209 total cpu time spent up to now is 205.7 secs Computing kpt #: 210 total cpu time spent up to now is 206.5 secs Computing kpt #: 211 total cpu time spent up to now is 207.4 secs Computing kpt #: 212 total cpu time spent up to now is 208.4 secs Computing kpt #: 213 total cpu time spent up to now is 209.3 secs Computing kpt #: 214 total cpu time spent up to now is 210.2 secs Computing kpt #: 215 total cpu time spent up to now is 211.1 secs Computing kpt #: 216 total cpu time spent up to now is 212.0 secs Computing kpt #: 217 total cpu time spent up to now is 212.9 secs Computing kpt #: 218 total cpu time spent up to now is 213.9 secs Computing kpt #: 219 total cpu time spent up to now is 214.9 secs Computing kpt #: 220 total cpu time spent up to now is 215.9 secs Computing kpt #: 221 total cpu time spent up to now is 216.8 secs Computing kpt #: 222 total cpu time spent up to now is 217.7 secs Computing kpt #: 223 total cpu time spent up to now is 218.6 secs Computing kpt #: 224 total cpu time spent up to now is 219.4 secs Computing kpt #: 225 total cpu time spent up to now is 220.3 secs Computing kpt #: 226 total cpu time spent up to now is 221.1 secs Computing kpt #: 227 total cpu time spent up to now is 222.0 secs Computing kpt #: 228 total cpu time spent up to now is 222.9 secs Computing kpt #: 229 total cpu time spent up to now is 223.8 secs Computing kpt #: 230 total cpu time spent up to now is 224.8 secs Computing kpt #: 231 total cpu time spent up to now is 225.7 secs Computing kpt #: 232 total cpu time spent up to now is 226.6 secs Computing kpt #: 233 total cpu time spent up to now is 227.5 secs Computing kpt #: 234 total cpu time spent up to now is 228.4 secs Computing kpt #: 235 total cpu time spent up to now is 229.3 secs Computing kpt #: 236 total cpu time spent up to now is 230.1 secs Computing kpt #: 237 total cpu time spent up to now is 231.0 secs Computing kpt #: 238 total cpu time spent up to now is 231.9 secs Computing kpt #: 239 total cpu time spent up to now is 232.7 secs Computing kpt #: 240 total cpu time spent up to now is 233.6 secs Computing kpt #: 241 total cpu time spent up to now is 234.4 secs Computing kpt #: 242 total cpu time spent up to now is 235.2 secs Computing kpt #: 243 total cpu time spent up to now is 236.0 secs Computing kpt #: 244 total cpu time spent up to now is 236.8 secs Computing kpt #: 245 total cpu time spent up to now is 237.6 secs Computing kpt #: 246 total cpu time spent up to now is 238.4 secs Computing kpt #: 247 total cpu time spent up to now is 239.2 secs Computing kpt #: 248 total cpu time spent up to now is 240.0 secs Computing kpt #: 249 total cpu time spent up to now is 240.8 secs Computing kpt #: 250 total cpu time spent up to now is 241.5 secs Computing kpt #: 251 total cpu time spent up to now is 242.3 secs Computing kpt #: 252 total cpu time spent up to now is 243.1 secs Computing kpt #: 253 total cpu time spent up to now is 243.9 secs Computing kpt #: 254 total cpu time spent up to now is 244.8 secs Computing kpt #: 255 total cpu time spent up to now is 245.6 secs Computing kpt #: 256 total cpu time spent up to now is 246.5 secs Computing kpt #: 257 total cpu time spent up to now is 247.4 secs Computing kpt #: 258 total cpu time spent up to now is 248.4 secs Computing kpt #: 259 total cpu time spent up to now is 249.3 secs Computing kpt #: 260 total cpu time spent up to now is 250.3 secs Computing kpt #: 261 total cpu time spent up to now is 251.1 secs Computing kpt #: 262 total cpu time spent up to now is 252.1 secs Computing kpt #: 263 total cpu time spent up to now is 253.0 secs Computing kpt #: 264 total cpu time spent up to now is 253.9 secs Computing kpt #: 265 total cpu time spent up to now is 254.9 secs Computing kpt #: 266 total cpu time spent up to now is 255.8 secs Computing kpt #: 267 total cpu time spent up to now is 256.6 secs Computing kpt #: 268 total cpu time spent up to now is 257.5 secs Computing kpt #: 269 total cpu time spent up to now is 258.3 secs Computing kpt #: 270 total cpu time spent up to now is 259.1 secs Computing kpt #: 271 total cpu time spent up to now is 260.0 secs Computing kpt #: 272 total cpu time spent up to now is 260.8 secs Computing kpt #: 273 total cpu time spent up to now is 261.6 secs Computing kpt #: 274 total cpu time spent up to now is 262.4 secs Computing kpt #: 275 total cpu time spent up to now is 263.2 secs Computing kpt #: 276 total cpu time spent up to now is 264.0 secs Computing kpt #: 277 total cpu time spent up to now is 264.7 secs Computing kpt #: 278 total cpu time spent up to now is 265.5 secs Computing kpt #: 279 total cpu time spent up to now is 266.3 secs Computing kpt #: 280 total cpu time spent up to now is 267.1 secs Computing kpt #: 281 total cpu time spent up to now is 267.8 secs Computing kpt #: 282 total cpu time spent up to now is 268.6 secs Computing kpt #: 283 total cpu time spent up to now is 269.3 secs Computing kpt #: 284 total cpu time spent up to now is 270.1 secs Computing kpt #: 285 total cpu time spent up to now is 270.8 secs Computing kpt #: 286 total cpu time spent up to now is 271.6 secs Computing kpt #: 287 total cpu time spent up to now is 272.4 secs Computing kpt #: 288 total cpu time spent up to now is 273.2 secs Computing kpt #: 289 total cpu time spent up to now is 274.0 secs Computing kpt #: 290 total cpu time spent up to now is 274.8 secs Computing kpt #: 291 total cpu time spent up to now is 275.6 secs Computing kpt #: 292 total cpu time spent up to now is 276.4 secs Computing kpt #: 293 total cpu time spent up to now is 277.3 secs Computing kpt #: 294 total cpu time spent up to now is 278.2 secs Computing kpt #: 295 total cpu time spent up to now is 279.2 secs ethr = 2.08E-08, avg # of iterations = 22.6 total cpu time spent up to now is 279.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9805 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8320 -9.8320 -9.7733 -9.7733 -9.5786 -9.5786 -9.5575 -9.5575 -9.5190 -9.5190 -9.4918 -9.4918 -4.4242 -4.4242 -3.5163 -3.5163 1.6315 1.6315 3.0713 3.0713 3.3295 3.3295 3.8607 3.8607 4.4362 4.4362 4.6742 4.6742 5.7896 5.7896 5.8892 5.8892 6.1599 6.1599 7.5825 7.5825 8.7277 8.7277 k = 0.0000 0.0152-0.0000 ( 9793 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8320 -9.8320 -9.7733 -9.7733 -9.5786 -9.5786 -9.5576 -9.5576 -9.5189 -9.5189 -9.4919 -9.4919 -4.4232 -4.4232 -3.5161 -3.5161 1.6323 1.6323 3.0663 3.0663 3.3235 3.3235 3.8634 3.8634 4.4326 4.4326 4.6668 4.6668 5.7972 5.7972 5.9003 5.9003 6.1636 6.1636 7.5879 7.5879 8.6919 8.6919 k = 0.0000 0.0303-0.0000 ( 9779 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8319 -9.8319 -9.7736 -9.7736 -9.5785 -9.5785 -9.5577 -9.5577 -9.5189 -9.5189 -9.4921 -9.4921 -4.4204 -4.4204 -3.5155 -3.5155 1.6348 1.6348 3.0503 3.0503 3.3080 3.3080 3.8698 3.8698 4.4208 4.4208 4.6472 4.6472 5.8191 5.8191 5.9322 5.9322 6.1751 6.1751 7.6042 7.6042 8.6105 8.6105 k = 0.0000 0.0455-0.0000 ( 9781 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8156 -37.8156 -26.1170 -26.1170 -26.1032 -26.1032 -9.8319 -9.8319 -9.7739 -9.7739 -9.5784 -9.5784 -9.5580 -9.5580 -9.5187 -9.5187 -9.4924 -9.4924 -4.4157 -4.4157 -3.5145 -3.5145 1.6388 1.6388 3.0204 3.0204 3.2893 3.2893 3.8767 3.8767 4.3989 4.3989 4.6216 4.6216 5.8529 5.8529 5.9811 5.9811 6.1960 6.1960 7.6311 7.6311 8.5175 8.5175 k = 0.0000 0.0606-0.0000 ( 9773 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8266 -37.8266 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1169 -26.1169 -26.1032 -26.1032 -9.8319 -9.8319 -9.7744 -9.7744 -9.5782 -9.5782 -9.5584 -9.5584 -9.5186 -9.5186 -9.4929 -9.4929 -4.4091 -4.4091 -3.5132 -3.5132 1.6443 1.6443 2.9744 2.9744 3.2740 3.2740 3.8798 3.8798 4.3655 4.3655 4.5974 4.5974 5.8945 5.8945 6.0425 6.0425 6.2291 6.2291 7.6682 7.6682 8.4217 8.4217 k = 0.0000 0.0758-0.0000 ( 9775 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8266 -37.8266 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1168 -26.1168 -26.1033 -26.1033 -9.8319 -9.8319 -9.7750 -9.7750 -9.5780 -9.5780 -9.5589 -9.5589 -9.5184 -9.5184 -9.4934 -9.4934 -4.4007 -4.4007 -3.5115 -3.5115 1.6513 1.6513 2.9130 2.9130 3.2650 3.2650 3.8745 3.8745 4.3229 4.3229 4.5783 4.5783 5.9383 5.9383 6.1120 6.1120 6.2781 6.2781 7.7151 7.7151 8.3256 8.3256 k = 0.0000 0.0909-0.0000 ( 9777 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8266 -37.8266 -37.8251 -37.8251 -37.8228 -37.8228 -37.8157 -37.8157 -26.1167 -26.1167 -26.1033 -26.1033 -9.8319 -9.8319 -9.7758 -9.7758 -9.5778 -9.5778 -9.5594 -9.5594 -9.5183 -9.5183 -9.4941 -9.4941 -4.3905 -4.3905 -3.5096 -3.5096 1.6595 1.6595 2.8394 2.8394 3.2624 3.2624 3.8568 3.8568 4.2776 4.2776 4.5645 4.5645 5.9797 5.9797 6.1860 6.1860 6.3458 6.3458 7.7708 7.7708 8.2306 8.2306 k = 0.0000 0.1061-0.0000 ( 9759 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1087 -38.1087 -37.8266 -37.8266 -37.8252 -37.8252 -37.8227 -37.8227 -37.8157 -37.8157 -26.1166 -26.1166 -26.1034 -26.1034 -9.8319 -9.8319 -9.7767 -9.7767 -9.5776 -9.5776 -9.5600 -9.5600 -9.5181 -9.5181 -9.4949 -9.4949 -4.3784 -4.3784 -3.5074 -3.5074 1.6688 1.6688 2.7573 2.7573 3.2650 3.2650 3.8233 3.8233 4.2365 4.2365 4.5543 4.5543 6.0161 6.0161 6.2619 6.2619 6.4330 6.4330 7.8335 7.8335 8.1381 8.1381 k = 0.0000 0.1212-0.0000 ( 9766 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8227 -37.8227 -37.8158 -37.8158 -26.1164 -26.1164 -26.1035 -26.1035 -9.8319 -9.8319 -9.7777 -9.7777 -9.5773 -9.5773 -9.5606 -9.5606 -9.5179 -9.5179 -9.4957 -9.4957 -4.3647 -4.3647 -3.5051 -3.5051 1.6790 1.6790 2.6698 2.6698 3.2715 3.2715 3.7734 3.7734 4.2038 4.2038 4.5459 4.5459 6.0476 6.0476 6.3377 6.3377 6.5374 6.5374 7.9009 7.9009 8.0494 8.0494 k = 0.0000 0.1364-0.0000 ( 9780 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8226 -37.8226 -37.8158 -37.8158 -26.1163 -26.1163 -26.1036 -26.1036 -9.8318 -9.8318 -9.7789 -9.7789 -9.5771 -9.5771 -9.5612 -9.5612 -9.5178 -9.5178 -9.4966 -9.4966 -4.3492 -4.3492 -3.5027 -3.5027 1.6898 1.6898 2.5791 2.5791 3.2811 3.2811 3.7096 3.7096 4.1798 4.1798 4.5382 4.5382 6.0755 6.0755 6.4124 6.4124 6.6555 6.6555 7.9551 7.9551 7.9802 7.9802 k = 0.0000 0.1515-0.0000 ( 9782 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8225 -37.8225 -37.8159 -37.8159 -26.1161 -26.1161 -26.1037 -26.1037 -9.8318 -9.8318 -9.7801 -9.7801 -9.5768 -9.5768 -9.5619 -9.5619 -9.5177 -9.5177 -9.4976 -9.4976 -4.3321 -4.3321 -3.5004 -3.5004 1.7007 1.7007 2.4872 2.4872 3.2930 3.2930 3.6366 3.6366 4.1621 4.1621 4.5304 4.5304 6.1013 6.1013 6.4854 6.4854 6.7835 6.7835 7.8845 7.8845 8.0394 8.0394 k = 0.0000 0.1667-0.0000 ( 9794 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1089 -38.1089 -37.8266 -37.8266 -37.8252 -37.8252 -37.8225 -37.8225 -37.8160 -37.8160 -26.1159 -26.1159 -26.1038 -26.1038 -9.8317 -9.8317 -9.7815 -9.7815 -9.5766 -9.5766 -9.5625 -9.5625 -9.5177 -9.5177 -9.4985 -9.4985 -4.3133 -4.3133 -3.4982 -3.4982 1.7115 1.7115 2.3953 2.3953 3.3068 3.3068 3.5590 3.5590 4.1481 4.1481 4.5219 4.5219 6.1260 6.1260 6.5566 6.5566 6.9176 6.9176 7.8146 7.8146 8.0981 8.0981 k = 0.0000 0.1818-0.0000 ( 9810 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1090 -38.1090 -37.8266 -37.8266 -37.8252 -37.8252 -37.8224 -37.8224 -37.8161 -37.8161 -26.1156 -26.1156 -26.1039 -26.1039 -9.8317 -9.8317 -9.7830 -9.7830 -9.5764 -9.5764 -9.5630 -9.5630 -9.5177 -9.5177 -9.4995 -9.4995 -4.2931 -4.2931 -3.4962 -3.4962 1.7214 1.7214 2.3047 2.3047 3.3215 3.3215 3.4810 3.4810 4.1357 4.1357 4.5125 4.5125 6.1501 6.1501 6.6260 6.6260 7.0530 7.0530 7.7557 7.7557 8.1438 8.1438 k = 0.0000 0.1970-0.0000 ( 9802 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8265 -37.8265 -37.8253 -37.8253 -37.8223 -37.8223 -37.8162 -37.8162 -26.1154 -26.1154 -26.1041 -26.1041 -9.8316 -9.8316 -9.7845 -9.7845 -9.5763 -9.5763 -9.5635 -9.5635 -9.5178 -9.5178 -9.5005 -9.5005 -4.2714 -4.2714 -3.4945 -3.4945 1.7300 1.7300 2.2161 2.2161 3.3329 3.3329 3.4094 3.4094 4.1234 4.1234 4.5018 4.5018 6.1742 6.1742 6.6938 6.6938 7.1821 7.1821 7.7143 7.7143 8.1716 8.1716 k = 0.0000 0.2121-0.0000 ( 9808 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8265 -37.8265 -37.8253 -37.8253 -37.8222 -37.8222 -37.8163 -37.8163 -26.1152 -26.1152 -26.1042 -26.1042 -9.8315 -9.8315 -9.7862 -9.7862 -9.5762 -9.5762 -9.5639 -9.5639 -9.5180 -9.5180 -9.5014 -9.5014 -4.2483 -4.2483 -3.4933 -3.4933 1.7364 1.7364 2.1306 2.1306 3.3082 3.3082 3.3788 3.3788 4.1102 4.1102 4.4895 4.4895 6.1983 6.1983 6.7603 6.7603 7.2902 7.2902 7.7039 7.7039 8.1796 8.1796 k = 0.0000 0.2273-0.0000 ( 9806 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8265 -37.8265 -37.8253 -37.8253 -37.8221 -37.8221 -37.8164 -37.8164 -26.1149 -26.1149 -26.1044 -26.1044 -9.8314 -9.8314 -9.7879 -9.7879 -9.5761 -9.5761 -9.5643 -9.5643 -9.5182 -9.5182 -9.5023 -9.5023 -4.2239 -4.2239 -3.4927 -3.4927 1.7396 1.7396 2.0489 2.0489 3.2464 3.2464 3.3921 3.3921 4.0956 4.0956 4.4755 4.4755 6.2227 6.2227 6.8255 6.8255 7.3556 7.3556 7.7447 7.7447 8.1692 8.1692 k = 0.0000 0.2424-0.0000 ( 9798 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1092 -38.1092 -37.8265 -37.8265 -37.8253 -37.8253 -37.8220 -37.8220 -37.8165 -37.8165 -26.1146 -26.1146 -26.1046 -26.1046 -9.8312 -9.8312 -9.7896 -9.7896 -9.5761 -9.5761 -9.5646 -9.5646 -9.5185 -9.5185 -9.5031 -9.5031 -4.1984 -4.1984 -3.4927 -3.4927 1.7382 1.7382 1.9722 1.9722 3.1852 3.1852 3.4130 3.4130 4.0789 4.0789 4.4596 4.4596 6.2474 6.2474 6.8896 6.8896 7.3757 7.3757 7.8371 7.8371 8.1445 8.1445 k = 0.0000 0.2576-0.0000 ( 9794 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1121 -38.1121 -38.1093 -38.1093 -37.8265 -37.8265 -37.8254 -37.8254 -37.8218 -37.8218 -37.8167 -37.8167 -26.1143 -26.1143 -26.1047 -26.1047 -9.8310 -9.8310 -9.7915 -9.7915 -9.5762 -9.5762 -9.5649 -9.5649 -9.5188 -9.5188 -9.5039 -9.5039 -4.1717 -4.1717 -3.4937 -3.4937 1.7303 1.7303 1.9021 1.9021 3.1308 3.1308 3.4363 3.4363 4.0600 4.0600 4.4417 4.4417 6.2726 6.2726 6.9525 6.9525 7.3728 7.3728 7.9529 7.9529 8.1131 8.1131 k = 0.0000 0.2727-0.0000 ( 9802 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1121 -38.1121 -38.1093 -38.1093 -37.8264 -37.8264 -37.8254 -37.8254 -37.8217 -37.8217 -37.8168 -37.8168 -26.1141 -26.1141 -26.1049 -26.1049 -9.8308 -9.8308 -9.7933 -9.7933 -9.5763 -9.5763 -9.5651 -9.5651 -9.5192 -9.5192 -9.5047 -9.5047 -4.1440 -4.1440 -3.4956 -3.4956 1.7129 1.7129 1.8414 1.8414 3.0852 3.0852 3.4611 3.4611 4.0385 4.0385 4.4218 4.4218 6.2983 6.2983 7.0139 7.0139 7.3644 7.3644 8.0280 8.0280 8.1212 8.1212 k = 0.0000 0.2879-0.0000 ( 9798 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1120 -38.1120 -38.1094 -38.1094 -37.8264 -37.8264 -37.8254 -37.8254 -37.8216 -37.8216 -37.8170 -37.8170 -26.1137 -26.1137 -26.1051 -26.1051 -9.8306 -9.8306 -9.7952 -9.7952 -9.5763 -9.5763 -9.5654 -9.5654 -9.5195 -9.5195 -9.5054 -9.5054 -4.1154 -4.1154 -3.4986 -3.4986 1.6827 1.6827 1.7932 1.7932 3.0493 3.0493 3.4872 3.4872 4.0143 4.0143 4.3999 4.3999 6.3248 6.3248 7.0733 7.0733 7.3584 7.3584 7.9982 7.9982 8.2129 8.2129 k = 0.0000 0.3030-0.0000 ( 9796 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1095 -38.1095 -37.8264 -37.8264 -37.8255 -37.8255 -37.8214 -37.8214 -37.8171 -37.8171 -26.1134 -26.1134 -26.1054 -26.1054 -9.8303 -9.8303 -9.7972 -9.7972 -9.5764 -9.5764 -9.5656 -9.5656 -9.5198 -9.5198 -9.5061 -9.5061 -4.0861 -4.0861 -3.5028 -3.5028 1.6410 1.6410 1.7564 1.7564 3.0236 3.0236 3.5143 3.5143 3.9873 3.9873 4.3761 4.3761 6.3522 6.3522 7.1295 7.1295 7.3578 7.3578 7.9519 7.9519 8.2298 8.2298 k = 0.0000 0.3182-0.0000 ( 9792 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1096 -38.1096 -37.8263 -37.8263 -37.8255 -37.8255 -37.8213 -37.8213 -37.8172 -37.8172 -26.1131 -26.1131 -26.1056 -26.1056 -9.8299 -9.8299 -9.7991 -9.7991 -9.5765 -9.5765 -9.5659 -9.5659 -9.5200 -9.5200 -9.5068 -9.5068 -4.0561 -4.0561 -3.5083 -3.5083 1.5945 1.5945 1.7247 1.7247 3.0084 3.0084 3.5421 3.5421 3.9576 3.9576 4.3504 4.3504 6.3809 6.3809 7.1809 7.1809 7.3638 7.3638 7.9060 7.9060 8.2097 8.2097 k = 0.0000 0.3333-0.0000 ( 9802 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1097 -38.1097 -37.8263 -37.8263 -37.8255 -37.8255 -37.8211 -37.8211 -37.8174 -37.8174 -26.1128 -26.1128 -26.1058 -26.1058 -9.8295 -9.8295 -9.8011 -9.8011 -9.5765 -9.5765 -9.5662 -9.5662 -9.5201 -9.5201 -9.5075 -9.5075 -4.0257 -4.0257 -3.5152 -3.5152 1.5486 1.5486 1.6934 1.6934 3.0031 3.0031 3.5702 3.5702 3.9253 3.9253 4.3230 4.3230 6.4111 6.4111 7.2247 7.2247 7.3768 7.3768 7.8661 7.8661 8.1876 8.1876 k = 0.0000 0.3485-0.0000 ( 9786 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1117 -38.1117 -38.1098 -38.1098 -37.8263 -37.8263 -37.8256 -37.8256 -37.8210 -37.8210 -37.8176 -37.8176 -26.1124 -26.1124 -26.1061 -26.1061 -9.8290 -9.8290 -9.8030 -9.8030 -9.5765 -9.5765 -9.5666 -9.5666 -9.5202 -9.5202 -9.5082 -9.5082 -3.9948 -3.9948 -3.5237 -3.5237 1.5059 1.5059 1.6609 1.6609 3.0074 3.0074 3.5982 3.5982 3.8909 3.8909 4.2942 4.2942 6.4431 6.4431 7.2570 7.2570 7.3964 7.3964 7.8376 7.8376 8.1668 8.1668 k = 0.0000 0.3636-0.0000 ( 9776 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1116 -38.1116 -38.1098 -38.1098 -37.8262 -37.8262 -37.8256 -37.8256 -37.8208 -37.8208 -37.8177 -37.8177 -26.1121 -26.1121 -26.1063 -26.1063 -9.8285 -9.8285 -9.8049 -9.8049 -9.5764 -9.5764 -9.5670 -9.5670 -9.5201 -9.5201 -9.5089 -9.5089 -3.9637 -3.9637 -3.5338 -3.5338 1.4677 1.4677 1.6268 1.6268 3.0202 3.0202 3.6249 3.6249 3.8557 3.8557 4.2642 4.2642 6.4771 6.4771 7.2730 7.2730 7.4227 7.4227 7.8258 7.8258 8.1481 8.1481 k = 0.0000 0.3788-0.0000 ( 9780 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1115 -38.1115 -38.1099 -38.1099 -37.8262 -37.8262 -37.8256 -37.8256 -37.8206 -37.8206 -37.8179 -37.8179 -26.1118 -26.1118 -26.1066 -26.1066 -9.8279 -9.8279 -9.8068 -9.8068 -9.5762 -9.5762 -9.5676 -9.5676 -9.5200 -9.5200 -9.5096 -9.5096 -3.9326 -3.9326 -3.5456 -3.5456 1.4346 1.4346 1.5919 1.5919 3.0407 3.0407 3.6475 3.6475 3.8224 3.8224 4.2330 4.2330 6.5134 6.5134 7.2696 7.2696 7.4556 7.4556 7.8337 7.8337 8.1319 8.1319 k = 0.0000 0.3939-0.0000 ( 9792 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1100 -38.1100 -37.8262 -37.8262 -37.8257 -37.8257 -37.8205 -37.8205 -37.8181 -37.8181 -26.1114 -26.1114 -26.1069 -26.1069 -9.8272 -9.8272 -9.8087 -9.8087 -9.5760 -9.5760 -9.5681 -9.5681 -9.5197 -9.5197 -9.5104 -9.5104 -3.9016 -3.9016 -3.5590 -3.5590 1.4070 1.4070 1.5568 1.5568 3.0679 3.0679 3.6591 3.6591 3.7980 3.7980 4.2010 4.2010 6.5522 6.5522 7.2477 7.2477 7.4949 7.4949 7.8607 7.8607 8.1183 8.1183 k = 0.0000 0.4091-0.0000 ( 9796 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1113 -38.1113 -38.1101 -38.1101 -37.8261 -37.8261 -37.8257 -37.8257 -37.8203 -37.8203 -37.8182 -37.8182 -26.1111 -26.1111 -26.1072 -26.1072 -9.8264 -9.8264 -9.8105 -9.8105 -9.5757 -9.5757 -9.5687 -9.5687 -9.5193 -9.5193 -9.5111 -9.5111 -3.8708 -3.8708 -3.5742 -3.5742 1.3851 1.3851 1.5224 1.5224 3.1009 3.1009 3.6491 3.6491 3.7936 3.7936 4.1683 4.1683 6.5935 6.5935 7.2114 7.2114 7.5401 7.5401 7.9025 7.9025 8.1074 8.1074 k = 0.0000 0.4242-0.0000 ( 9792 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1102 -38.1102 -37.8261 -37.8261 -37.8257 -37.8257 -37.8202 -37.8202 -37.8184 -37.8184 -26.1107 -26.1107 -26.1075 -26.1075 -9.8256 -9.8256 -9.8123 -9.8123 -9.5754 -9.5754 -9.5694 -9.5694 -9.5189 -9.5189 -9.5119 -9.5119 -3.8404 -3.8404 -3.5911 -3.5911 1.3688 1.3688 1.4895 1.4895 3.1387 3.1387 3.6178 3.6178 3.8091 3.8091 4.1350 4.1350 6.6374 6.6374 7.1657 7.1657 7.5906 7.5906 7.9542 7.9542 8.0994 8.0994 k = 0.0000 0.4394-0.0000 ( 9792 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1103 -38.1103 -37.8261 -37.8261 -37.8258 -37.8258 -37.8200 -37.8200 -37.8186 -37.8186 -26.1104 -26.1104 -26.1078 -26.1078 -9.8247 -9.8247 -9.8140 -9.8140 -9.5750 -9.5750 -9.5700 -9.5700 -9.5184 -9.5184 -9.5126 -9.5126 -3.8105 -3.8105 -3.6097 -3.6097 1.3583 1.3583 1.4588 1.4588 3.1806 3.1806 3.5751 3.5751 3.8348 3.8348 4.1012 4.1012 6.6837 6.6837 7.1142 7.1142 7.6457 7.6457 8.0098 8.0098 8.0947 8.0947 k = 0.0000 0.4545-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1104 -38.1104 -37.8260 -37.8260 -37.8258 -37.8258 -37.8198 -37.8198 -37.8188 -37.8188 -26.1100 -26.1100 -26.1081 -26.1081 -9.8236 -9.8236 -9.8156 -9.8156 -9.5745 -9.5745 -9.5707 -9.5707 -9.5178 -9.5178 -9.5134 -9.5134 -3.7814 -3.7814 -3.6299 -3.6299 1.3534 1.3534 1.4311 1.4311 3.2257 3.2257 3.5272 3.5272 3.8649 3.8649 4.0671 4.0671 6.7325 6.7325 7.0595 7.0595 7.7052 7.7052 8.0516 8.0516 8.0993 8.0993 k = 0.0000 0.4697-0.0000 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1109 -38.1109 -38.1105 -38.1105 -37.8260 -37.8260 -37.8259 -37.8259 -37.8197 -37.8197 -37.8190 -37.8190 -26.1097 -26.1097 -26.1084 -26.1084 -9.8225 -9.8225 -9.8171 -9.8171 -9.5740 -9.5740 -9.5714 -9.5714 -9.5171 -9.5171 -9.5142 -9.5142 -3.7532 -3.7532 -3.6518 -3.6518 1.3539 1.3539 1.4069 1.4069 3.2734 3.2734 3.4769 3.4769 3.8971 3.8971 4.0329 4.0329 6.7835 6.7835 7.0033 7.0033 7.7684 7.7684 8.0326 8.0326 8.1121 8.1121 k = 0.0000 0.4848-0.0000 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1106 -38.1106 -37.8260 -37.8260 -37.8259 -37.8259 -37.8195 -37.8195 -37.8191 -37.8191 -26.1094 -26.1094 -26.1087 -26.1087 -9.8213 -9.8213 -9.8186 -9.8186 -9.5734 -9.5734 -9.5721 -9.5721 -9.5164 -9.5164 -9.5150 -9.5150 -3.7259 -3.7259 -3.6751 -3.6751 1.3599 1.3599 1.3867 1.3867 3.3231 3.3231 3.4255 3.4255 3.9304 3.9304 3.9986 3.9986 6.8365 6.8365 6.9470 6.9470 7.8348 7.8348 7.9724 7.9724 8.1125 8.1125 k = 0.0000 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5157 -9.5157 -9.5157 -9.5157 -3.6999 -3.6999 -3.6999 -3.6999 1.3709 1.3709 1.3709 1.3709 3.3740 3.3740 3.3740 3.3740 3.9644 3.9644 3.9644 3.9644 6.8912 6.8912 6.8912 6.8912 7.9035 7.9035 7.9035 7.9035 8.1192 8.1192 k = 0.0000 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5157 -9.5157 -9.5157 -9.5157 -3.6999 -3.6999 -3.6999 -3.6999 1.3709 1.3709 1.3709 1.3709 3.3740 3.3740 3.3740 3.3740 3.9644 3.9644 3.9644 3.9644 6.8912 6.8912 6.8912 6.8912 7.9035 7.9035 7.9035 7.9035 8.1192 8.1192 k = 0.0152 0.5000-0.0000 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8201 -9.8201 -9.8198 -9.8198 -9.5742 -9.5742 -9.5714 -9.5714 -9.5170 -9.5170 -9.5145 -9.5145 -3.6995 -3.6995 -3.6994 -3.6994 1.3699 1.3699 1.3725 1.3725 3.3716 3.3716 3.3759 3.3759 3.9559 3.9559 3.9605 3.9605 6.8915 6.8915 6.9062 6.9062 7.8966 7.8966 7.9048 7.9048 8.0769 8.0769 k = 0.0303 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8203 -9.8203 -9.8197 -9.8197 -9.5755 -9.5755 -9.5699 -9.5699 -9.5184 -9.5184 -9.5134 -9.5134 -3.6981 -3.6981 -3.6979 -3.6979 1.3697 1.3697 1.3749 1.3749 3.3685 3.3685 3.3775 3.3775 3.9358 3.9358 3.9441 3.9441 6.9063 6.9063 6.9358 6.9358 7.8813 7.8813 7.8992 7.8992 8.0078 8.0078 k = 0.0455 0.5000-0.0000 ( 9806 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8205 -9.8205 -9.8195 -9.8195 -9.5769 -9.5769 -9.5685 -9.5685 -9.5199 -9.5199 -9.5124 -9.5124 -3.6958 -3.6958 -3.6956 -3.6956 1.3701 1.3701 1.3780 1.3780 3.3642 3.3642 3.3789 3.3789 3.9054 3.9054 3.9161 3.9161 6.9334 6.9334 6.9775 6.9775 7.8525 7.8525 7.8756 7.8756 7.9519 7.9519 k = 0.0606 0.5000-0.0000 ( 9822 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8206 -9.8206 -9.8194 -9.8194 -9.5782 -9.5782 -9.5671 -9.5671 -9.5215 -9.5215 -9.5115 -9.5115 -3.6926 -3.6926 -3.6923 -3.6923 1.3711 1.3711 1.3817 1.3817 3.3583 3.3583 3.3801 3.3801 3.8668 3.8668 3.8776 3.8776 6.9682 6.9682 7.0265 7.0265 7.8110 7.8110 7.8231 7.8231 7.9298 7.9298 k = 0.0758 0.5000-0.0000 ( 9814 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1090 -26.1090 -26.1090 -26.1090 -9.8208 -9.8208 -9.8193 -9.8193 -9.5795 -9.5795 -9.5657 -9.5657 -9.5231 -9.5231 -9.5107 -9.5107 -3.6885 -3.6885 -3.6881 -3.6881 1.3726 1.3726 1.3860 1.3860 3.3498 3.3498 3.3811 3.3811 3.8225 3.8225 3.8302 3.8302 7.0044 7.0044 7.0754 7.0754 7.7678 7.7678 7.7678 7.7678 7.9239 7.9239 k = 0.0909 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1089 -26.1089 -26.1089 -26.1089 -9.8209 -9.8209 -9.8192 -9.8192 -9.5808 -9.5808 -9.5643 -9.5643 -9.5249 -9.5249 -9.5100 -9.5100 -3.6835 -3.6835 -3.6831 -3.6831 1.3745 1.3745 1.3907 1.3907 3.3377 3.3377 3.3816 3.3816 3.7752 3.7752 3.7759 3.7759 7.0335 7.0335 7.1133 7.1133 7.7285 7.7285 7.7340 7.7340 7.9258 7.9258 k = 0.1061 0.5000-0.0000 ( 9788 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1089 -26.1089 -26.1089 -26.1089 -9.8210 -9.8210 -9.8191 -9.8191 -9.5819 -9.5819 -9.5628 -9.5628 -9.5267 -9.5267 -9.5095 -9.5095 -3.6777 -3.6777 -3.6772 -3.6772 1.3766 1.3766 1.3958 1.3958 3.3206 3.3206 3.3816 3.3816 3.7164 3.7164 3.7281 3.7281 7.0467 7.0467 7.1282 7.1282 7.7125 7.7125 7.7150 7.7150 7.9390 7.9390 k = 0.1212 0.5000-0.0000 ( 9784 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8261 -37.8261 -37.8191 -37.8191 -37.8191 -37.8191 -26.1089 -26.1089 -26.1089 -26.1089 -9.8212 -9.8212 -9.8190 -9.8190 -9.5831 -9.5831 -9.5615 -9.5615 -9.5285 -9.5285 -9.5090 -9.5090 -3.6711 -3.6711 -3.6705 -3.6705 1.3789 1.3789 1.4010 1.4010 3.2970 3.2970 3.3805 3.3805 3.6540 3.6540 3.6841 3.6841 7.0391 7.0391 7.1144 7.1144 7.7076 7.7076 7.7144 7.7144 7.9735 7.9735 k = 0.1364 0.5000-0.0000 ( 9780 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8261 -37.8261 -37.8191 -37.8191 -37.8191 -37.8191 -26.1088 -26.1088 -26.1088 -26.1088 -9.8213 -9.8213 -9.8189 -9.8189 -9.5841 -9.5841 -9.5601 -9.5601 -9.5304 -9.5304 -9.5087 -9.5087 -3.6638 -3.6638 -3.6631 -3.6631 1.3810 1.3810 1.4062 1.4062 3.2657 3.2657 3.3778 3.3778 3.5907 3.5907 3.6460 3.6460 7.0120 7.0120 7.0765 7.0765 7.7029 7.7029 7.7183 7.7183 8.0399 8.0399 k = 0.1515 0.5000-0.0000 ( 9792 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8262 -37.8262 -37.8261 -37.8261 -37.8191 -37.8191 -37.8190 -37.8190 -26.1088 -26.1088 -26.1088 -26.1088 -9.8215 -9.8215 -9.8189 -9.8189 -9.5851 -9.5851 -9.5587 -9.5587 -9.5323 -9.5323 -9.5084 -9.5084 -3.6557 -3.6557 -3.6550 -3.6550 1.3829 1.3829 1.4112 1.4112 3.2267 3.2267 3.3715 3.3715 3.5296 3.5296 3.6149 3.6149 6.9705 6.9705 7.0233 7.0233 7.6932 7.6932 7.7132 7.7132 8.1389 8.1389 k = 0.1667 0.5000-0.0000 ( 9796 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8262 -37.8262 -37.8262 -37.8262 -37.8190 -37.8190 -37.8190 -37.8190 -26.1088 -26.1088 -26.1088 -26.1088 -9.8216 -9.8216 -9.8188 -9.8188 -9.5861 -9.5861 -9.5574 -9.5574 -9.5343 -9.5343 -9.5083 -9.5083 -3.6470 -3.6470 -3.6463 -3.6463 1.3843 1.3843 1.4157 1.4157 3.1812 3.1812 3.3579 3.3579 3.4759 3.4759 3.5907 3.5907 6.9202 6.9202 6.9623 6.9623 7.6763 7.6763 7.6983 7.6983 8.2633 8.2633 k = 0.1818 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8263 -37.8263 -37.8262 -37.8262 -37.8190 -37.8190 -37.8190 -37.8190 -26.1087 -26.1087 -26.1087 -26.1087 -9.8218 -9.8218 -9.8188 -9.8188 -9.5869 -9.5869 -9.5561 -9.5561 -9.5362 -9.5362 -9.5083 -9.5083 -3.6378 -3.6378 -3.6370 -3.6370 1.3850 1.3850 1.4194 1.4194 3.1313 3.1313 3.3298 3.3298 3.4376 3.4376 3.5723 3.5723 6.8657 6.8657 6.8983 6.8983 7.6526 7.6526 7.6757 7.6757 8.4054 8.4054 k = 0.1970 0.5000-0.0000 ( 9802 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8263 -37.8263 -37.8263 -37.8263 -37.8190 -37.8190 -37.8189 -37.8189 -26.1087 -26.1087 -26.1087 -26.1087 -9.8219 -9.8219 -9.8189 -9.8189 -9.5876 -9.5876 -9.5549 -9.5549 -9.5382 -9.5382 -9.5083 -9.5083 -3.6280 -3.6280 -3.6273 -3.6273 1.3847 1.3847 1.4221 1.4221 3.0794 3.0794 3.2863 3.2863 3.4163 3.4163 3.5582 3.5582 6.8098 6.8098 6.8340 6.8340 7.6233 7.6233 7.6472 7.6472 8.5600 8.5600 k = 0.2121 0.5000-0.0000 ( 9796 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8263 -37.8263 -37.8189 -37.8189 -37.8189 -37.8189 -26.1086 -26.1086 -26.1086 -26.1086 -9.8221 -9.8221 -9.8189 -9.8189 -9.5883 -9.5883 -9.5537 -9.5537 -9.5400 -9.5400 -9.5085 -9.5085 -3.6179 -3.6179 -3.6171 -3.6171 1.3833 1.3833 1.4234 1.4234 3.0277 3.0277 3.2363 3.2363 3.4040 3.4040 3.5467 3.5467 6.7547 6.7547 6.7715 6.7715 7.5891 7.5891 7.6138 7.6138 8.7234 8.7234 k = 0.2273 0.5000-0.0000 ( 9790 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8263 -37.8263 -37.8189 -37.8189 -37.8188 -37.8188 -26.1086 -26.1086 -26.1086 -26.1086 -9.8222 -9.8222 -9.8190 -9.8190 -9.5888 -9.5888 -9.5528 -9.5528 -9.5417 -9.5417 -9.5088 -9.5088 -3.6073 -3.6073 -3.6065 -3.6065 1.3805 1.3805 1.4230 1.4230 2.9781 2.9781 3.1864 3.1864 3.3947 3.3947 3.5367 3.5367 6.7018 6.7018 6.7118 6.7118 7.5507 7.5507 7.5764 7.5764 8.8927 8.8928 k = 0.2424 0.5000-0.0000 ( 9810 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8264 -37.8264 -37.8188 -37.8188 -37.8188 -37.8188 -26.1085 -26.1085 -26.1085 -26.1085 -9.8224 -9.8224 -9.8191 -9.8191 -9.5892 -9.5892 -9.5521 -9.5521 -9.5431 -9.5431 -9.5091 -9.5091 -3.5965 -3.5965 -3.5957 -3.5957 1.3761 1.3761 1.4208 1.4208 2.9319 2.9319 3.1396 3.1396 3.3857 3.3857 3.5272 3.5272 6.6521 6.6521 6.6558 6.6558 7.5087 7.5087 7.5354 7.5354 9.0655 9.0655 k = 0.2576 0.5000-0.0000 ( 9814 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8265 -37.8265 -37.8264 -37.8264 -37.8188 -37.8188 -37.8188 -37.8188 -26.1085 -26.1085 -26.1085 -26.1085 -9.8225 -9.8225 -9.8193 -9.8193 -9.5895 -9.5895 -9.5520 -9.5520 -9.5440 -9.5440 -9.5096 -9.5096 -3.5856 -3.5856 -3.5848 -3.5848 1.3702 1.3702 1.4164 1.4164 2.8904 2.8904 3.0973 3.0973 3.3760 3.3760 3.5175 3.5175 6.6043 6.6043 6.6063 6.6063 7.4636 7.4636 7.4914 7.4914 9.2384 9.2384 k = 0.2727 0.5000-0.0000 ( 9826 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8265 -37.8265 -37.8265 -37.8265 -37.8188 -37.8188 -37.8187 -37.8187 -26.1084 -26.1084 -26.1084 -26.1084 -9.8227 -9.8227 -9.8195 -9.8195 -9.5897 -9.5897 -9.5527 -9.5527 -9.5441 -9.5441 -9.5101 -9.5101 -3.5746 -3.5746 -3.5738 -3.5738 1.3626 1.3626 1.4098 1.4098 2.8542 2.8542 3.0603 3.0603 3.3651 3.3651 3.5071 3.5071 6.5577 6.5577 6.5649 6.5649 7.4159 7.4159 7.4448 7.4448 9.4058 9.4058 k = 0.2879 0.5000-0.0000 ( 9822 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8266 -37.8266 -37.8265 -37.8265 -37.8187 -37.8187 -37.8187 -37.8187 -26.1084 -26.1084 -26.1084 -26.1084 -9.8228 -9.8228 -9.8197 -9.8197 -9.5898 -9.5898 -9.5540 -9.5540 -9.5435 -9.5435 -9.5107 -9.5107 -3.5636 -3.5636 -3.5628 -3.5628 1.3533 1.3533 1.4009 1.4009 2.8241 2.8241 3.0290 3.0290 3.3527 3.3527 3.4955 3.4955 6.5164 6.5164 6.5285 6.5285 7.3660 7.3660 7.3960 7.3960 9.5553 9.5553 k = 0.3030 0.5000-0.0000 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8266 -37.8266 -37.8266 -37.8266 -37.8187 -37.8187 -37.8186 -37.8186 -26.1083 -26.1083 -26.1083 -26.1083 -9.8229 -9.8229 -9.8199 -9.8199 -9.5897 -9.5897 -9.5556 -9.5556 -9.5426 -9.5426 -9.5114 -9.5114 -3.5528 -3.5528 -3.5520 -3.5520 1.3426 1.3426 1.3897 1.3897 2.8002 2.8002 3.0035 3.0035 3.3386 3.3386 3.4825 3.4825 6.4806 6.4806 6.4971 6.4971 7.3144 7.3144 7.3454 7.3454 9.6658 9.6658 k = 0.3182 0.5000-0.0000 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8266 -37.8266 -37.8186 -37.8186 -37.8186 -37.8186 -26.1083 -26.1083 -26.1083 -26.1083 -9.8231 -9.8231 -9.8201 -9.8201 -9.5896 -9.5896 -9.5574 -9.5574 -9.5415 -9.5415 -9.5122 -9.5122 -3.5421 -3.5421 -3.5414 -3.5414 1.3306 1.3306 1.3766 1.3766 2.7827 2.7827 2.9839 2.9839 3.3227 3.3227 3.4678 3.4678 6.4505 6.4505 6.4710 6.4710 7.2616 7.2616 7.2936 7.2936 9.7317 9.7317 k = 0.3333 0.5000-0.0000 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8267 -37.8267 -37.8186 -37.8186 -37.8186 -37.8186 -26.1082 -26.1082 -26.1082 -26.1082 -9.8232 -9.8232 -9.8204 -9.8204 -9.5893 -9.5893 -9.5593 -9.5593 -9.5403 -9.5403 -9.5130 -9.5130 -3.5319 -3.5319 -3.5312 -3.5312 1.3176 1.3176 1.3618 1.3618 2.7715 2.7715 2.9699 2.9699 3.3052 3.3052 3.4513 3.4513 6.4263 6.4263 6.4503 6.4503 7.2081 7.2081 7.2410 7.2410 9.7710 9.7710 k = 0.3485 0.5000-0.0000 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8267 -37.8267 -37.8186 -37.8186 -37.8185 -37.8185 -26.1082 -26.1082 -26.1082 -26.1082 -9.8233 -9.8233 -9.8207 -9.8207 -9.5888 -9.5888 -9.5612 -9.5612 -9.5390 -9.5390 -9.5139 -9.5139 -3.5221 -3.5221 -3.5214 -3.5214 1.3040 1.3040 1.3457 1.3457 2.7663 2.7663 2.9612 2.9612 3.2861 3.2861 3.4329 3.4329 6.4079 6.4079 6.4348 6.4348 7.1544 7.1544 7.1880 7.1880 9.7966 9.7966 k = 0.3636 0.5000-0.0000 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8267 -37.8267 -37.8185 -37.8185 -37.8185 -37.8185 -26.1082 -26.1082 -26.1082 -26.1082 -9.8234 -9.8234 -9.8210 -9.8210 -9.5883 -9.5883 -9.5631 -9.5631 -9.5377 -9.5377 -9.5149 -9.5149 -3.5128 -3.5128 -3.5122 -3.5122 1.2901 1.2901 1.3288 1.3288 2.7667 2.7667 2.9572 2.9572 3.2658 3.2658 3.4128 3.4128 6.3952 6.3952 6.4245 6.4245 7.1011 7.1011 7.1353 7.1353 9.8144 9.8144 k = 0.3788 0.5000-0.0000 ( 9826 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8185 -37.8185 -37.8185 -37.8185 -26.1081 -26.1081 -26.1081 -26.1081 -9.8234 -9.8234 -9.8212 -9.8212 -9.5877 -9.5877 -9.5650 -9.5650 -9.5364 -9.5364 -9.5159 -9.5159 -3.5042 -3.5042 -3.5036 -3.5036 1.2765 1.2765 1.3117 1.3117 2.7723 2.7723 2.9573 2.9573 3.2447 3.2447 3.3909 3.3909 6.3880 6.3880 6.4191 6.4191 7.0488 7.0488 7.0833 7.0833 9.8270 9.8270 k = 0.3939 0.5000-0.0000 ( 9834 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8185 -37.8185 -37.8185 -37.8185 -26.1081 -26.1081 -26.1081 -26.1081 -9.8235 -9.8235 -9.8215 -9.8215 -9.5869 -9.5869 -9.5669 -9.5669 -9.5351 -9.5351 -9.5170 -9.5170 -3.4963 -3.4963 -3.4958 -3.4958 1.2635 1.2635 1.2949 1.2949 2.7825 2.7825 2.9604 2.9604 3.2235 3.2235 3.3676 3.3676 6.3860 6.3860 6.4181 6.4181 6.9983 6.9983 7.0326 7.0326 9.8362 9.8362 k = 0.4091 0.5000-0.0000 ( 9830 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8185 -37.8185 -37.8184 -37.8184 -26.1081 -26.1081 -26.1081 -26.1081 -9.8235 -9.8235 -9.8218 -9.8218 -9.5860 -9.5860 -9.5687 -9.5687 -9.5337 -9.5337 -9.5181 -9.5181 -3.4893 -3.4893 -3.4889 -3.4889 1.2516 1.2516 1.2789 1.2789 2.7966 2.7966 2.9653 2.9653 3.2032 3.2032 3.3430 3.3430 6.3887 6.3887 6.4210 6.4210 6.9504 6.9504 6.9839 6.9839 9.8430 9.8430 k = 0.4242 0.5000-0.0000 ( 9826 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8235 -9.8235 -9.8221 -9.8221 -9.5850 -9.5850 -9.5705 -9.5705 -9.5323 -9.5323 -9.5192 -9.5192 -3.4832 -3.4832 -3.4829 -3.4829 1.2412 1.2412 1.2641 1.2641 2.8141 2.8141 2.9701 2.9701 3.1853 3.1853 3.3174 3.3174 6.3955 6.3955 6.4269 6.4269 6.9062 6.9062 6.9381 6.9381 9.8481 9.8481 k = 0.4394 0.5000-0.0000 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8235 -9.8235 -9.8223 -9.8223 -9.5840 -9.5840 -9.5723 -9.5723 -9.5310 -9.5310 -9.5204 -9.5204 -3.4781 -3.4781 -3.4778 -3.4778 1.2325 1.2325 1.2511 1.2511 2.8342 2.8342 2.9726 2.9726 3.1721 3.1721 3.2915 3.2915 6.4055 6.4055 6.4346 6.4346 6.8668 6.8668 6.8960 6.8960 9.8519 9.8519 k = 0.4545 0.5000-0.0000 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8235 -9.8235 -9.8226 -9.8226 -9.5828 -9.5828 -9.5740 -9.5740 -9.5296 -9.5296 -9.5217 -9.5217 -3.4741 -3.4741 -3.4739 -3.4739 1.2260 1.2260 1.2400 1.2400 2.8563 2.8563 2.9700 2.9700 3.1660 3.1660 3.2655 3.2655 6.4175 6.4175 6.4425 6.4425 6.8342 6.8342 6.8591 6.8591 9.8548 9.8548 k = 0.4697 0.5000-0.0000 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8234 -9.8234 -9.8228 -9.8228 -9.5815 -9.5815 -9.5756 -9.5756 -9.5282 -9.5282 -9.5230 -9.5230 -3.4712 -3.4712 -3.4710 -3.4710 1.2219 1.2219 1.2312 1.2312 2.8796 2.8796 2.9608 2.9608 3.1684 3.1684 3.2402 3.2402 6.4301 6.4301 6.4487 6.4487 6.8102 6.8102 6.8287 6.8287 9.8570 9.8570 k = 0.4848 0.5000-0.0000 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8233 -9.8233 -9.8230 -9.8230 -9.5802 -9.5802 -9.5772 -9.5772 -9.5269 -9.5269 -9.5242 -9.5242 -3.4694 -3.4694 -3.4693 -3.4693 1.2203 1.2203 1.2249 1.2249 2.9030 2.9030 2.9454 2.9454 3.1788 3.1788 3.2165 3.2165 6.4411 6.4411 6.4512 6.4512 6.7970 6.7970 6.8070 6.8070 9.8587 9.8588 k = 0.5000 0.5000-0.0000 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4687 -3.4687 -3.4687 -3.4687 1.2213 1.2213 1.2213 1.2213 2.9255 2.9255 2.9255 2.9255 3.1955 3.1955 3.1955 3.1955 6.4486 6.4486 6.4486 6.4486 6.7960 6.7960 6.7960 6.7960 9.8599 9.8599 k = 0.5000 0.5000-0.0000 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4687 -3.4687 -3.4687 -3.4687 1.2213 1.2213 1.2213 1.2213 2.9255 2.9255 2.9255 2.9255 3.1955 3.1955 3.1955 3.1955 6.4486 6.4486 6.4486 6.4486 6.7960 6.7960 6.7960 6.7960 9.8599 9.8599 k = 0.4894 0.4894-0.0000 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8233 -9.8233 -9.8230 -9.8230 -9.5801 -9.5801 -9.5772 -9.5772 -9.5269 -9.5269 -9.5243 -9.5243 -3.4700 -3.4700 -3.4686 -3.4686 1.2203 1.2203 1.2249 1.2249 2.9029 2.9029 2.9457 2.9457 3.1786 3.1786 3.2166 3.2166 6.4382 6.4382 6.4543 6.4543 6.7946 6.7946 6.8090 6.8090 9.8582 9.8583 k = 0.4787 0.4787-0.0000 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1079 -26.1079 -9.8234 -9.8234 -9.8228 -9.8228 -9.5815 -9.5815 -9.5757 -9.5757 -9.5282 -9.5282 -9.5230 -9.5230 -3.4738 -3.4738 -3.4683 -3.4683 1.2219 1.2219 1.2312 1.2312 2.8777 2.8777 2.9637 2.9637 3.1659 3.1659 3.2416 3.2416 6.4153 6.4153 6.4660 6.4660 6.7966 6.7966 6.8394 6.8394 9.8542 9.8542 k = 0.4681 0.4681-0.0000 ( 9814 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1081 -26.1081 -26.1079 -26.1079 -9.8235 -9.8235 -9.8225 -9.8225 -9.5827 -9.5827 -9.5740 -9.5740 -9.5296 -9.5296 -9.5217 -9.5217 -3.4801 -3.4801 -3.4678 -3.4678 1.2261 1.2261 1.2401 1.2401 2.8503 2.8503 2.9801 2.9801 3.1570 3.1570 3.2699 3.2699 6.3841 6.3841 6.4851 6.4851 6.8002 6.8002 6.8830 6.8830 9.8476 9.8476 k = 0.4574 0.4574-0.0000 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8185 -37.8185 -37.8183 -37.8183 -26.1081 -26.1081 -26.1079 -26.1079 -9.8236 -9.8236 -9.8222 -9.8222 -9.5839 -9.5839 -9.5724 -9.5724 -9.5309 -9.5309 -9.5205 -9.5205 -3.4888 -3.4888 -3.4671 -3.4671 1.2329 1.2329 1.2516 1.2516 2.8209 2.8209 2.9956 2.9956 3.1515 3.1515 3.3011 3.3011 6.3496 6.3496 6.5114 6.5114 6.8054 6.8054 6.9351 6.9351 9.8385 9.8385 k = 0.4468 0.4468-0.0000 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8269 -37.8269 -37.8268 -37.8268 -37.8185 -37.8185 -37.8183 -37.8183 -26.1082 -26.1082 -26.1078 -26.1078 -9.8238 -9.8238 -9.8218 -9.8218 -9.5850 -9.5850 -9.5706 -9.5706 -9.5323 -9.5323 -9.5193 -9.5193 -3.4998 -3.4998 -3.4662 -3.4662 1.2422 1.2422 1.2656 1.2656 2.7902 2.7902 3.0108 3.0108 3.1486 3.1486 3.3345 3.3345 6.3152 6.3152 6.5446 6.5446 6.8121 6.8121 6.9926 6.9926 9.8269 9.8269 k = 0.4362 0.4362-0.0000 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1107 -38.1107 -37.8269 -37.8269 -37.8268 -37.8268 -37.8186 -37.8186 -37.8183 -37.8183 -26.1083 -26.1083 -26.1078 -26.1078 -9.8240 -9.8240 -9.8213 -9.8213 -9.5859 -9.5859 -9.5689 -9.5689 -9.5336 -9.5336 -9.5181 -9.5181 -3.5132 -3.5132 -3.4652 -3.4652 1.2540 1.2540 1.2823 1.2823 2.7587 2.7587 3.0260 3.0260 3.1479 3.1479 3.3699 3.3699 6.2828 6.2828 6.5844 6.5844 6.8204 6.8204 7.0537 7.0537 9.8128 9.8128 k = 0.4255 0.4255-0.0000 ( 9840 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1107 -38.1107 -37.8269 -37.8269 -37.8267 -37.8267 -37.8187 -37.8187 -37.8183 -37.8183 -26.1085 -26.1085 -26.1077 -26.1077 -9.8241 -9.8241 -9.8208 -9.8208 -9.5868 -9.5868 -9.5671 -9.5671 -9.5349 -9.5349 -9.5170 -9.5170 -3.5288 -3.5288 -3.4641 -3.4641 1.2683 1.2683 1.3014 1.3014 2.7269 2.7269 3.0417 3.0417 3.1487 3.1487 3.4068 3.4068 6.2541 6.2541 6.6302 6.6302 6.8302 6.8302 7.1172 7.1172 9.7961 9.7961 k = 0.4149 0.4149-0.0000 ( 9844 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1110 -38.1110 -38.1107 -38.1107 -37.8269 -37.8269 -37.8267 -37.8267 -37.8187 -37.8187 -37.8182 -37.8182 -26.1086 -26.1086 -26.1076 -26.1076 -9.8243 -9.8243 -9.8201 -9.8201 -9.5875 -9.5875 -9.5653 -9.5653 -9.5363 -9.5363 -9.5159 -9.5159 -3.5465 -3.5465 -3.4628 -3.4628 1.2850 1.2850 1.3231 1.3231 2.6953 2.6953 3.0579 3.0579 3.1507 3.1507 3.4450 3.4450 6.2301 6.2301 6.6815 6.6815 6.8415 6.8415 7.1825 7.1825 9.7768 9.7768 k = 0.4043 0.4043-0.0000 ( 9836 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1110 -38.1110 -38.1106 -38.1106 -37.8268 -37.8268 -37.8267 -37.8267 -37.8188 -37.8188 -37.8182 -37.8182 -26.1088 -26.1088 -26.1075 -26.1075 -9.8246 -9.8246 -9.8194 -9.8194 -9.5882 -9.5882 -9.5635 -9.5635 -9.5375 -9.5375 -9.5148 -9.5148 -3.5661 -3.5661 -3.4615 -3.4615 1.3040 1.3040 1.3471 1.3471 2.6643 2.6643 3.0745 3.0745 3.1537 3.1537 3.4844 3.4844 6.2116 6.2116 6.7376 6.7376 6.8546 6.8546 7.2490 7.2490 9.7547 9.7547 k = 0.3936 0.3936-0.0000 ( 9832 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1106 -38.1106 -37.8268 -37.8268 -37.8266 -37.8266 -37.8189 -37.8189 -37.8182 -37.8182 -26.1089 -26.1089 -26.1074 -26.1074 -9.8248 -9.8248 -9.8187 -9.8187 -9.5887 -9.5887 -9.5617 -9.5617 -9.5388 -9.5388 -9.5138 -9.5138 -3.5876 -3.5876 -3.4602 -3.4602 1.3253 1.3253 1.3735 1.3735 2.6344 2.6344 3.0910 3.0910 3.1581 3.1581 3.5247 3.5247 6.1993 6.1993 6.7974 6.7974 6.8696 6.8696 7.3163 7.3163 9.7297 9.7297 k = 0.3830 0.3830-0.0000 ( 9832 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1105 -38.1105 -37.8268 -37.8268 -37.8266 -37.8266 -37.8190 -37.8190 -37.8181 -37.8181 -26.1091 -26.1091 -26.1073 -26.1073 -9.8251 -9.8251 -9.8178 -9.8178 -9.5891 -9.5891 -9.5600 -9.5600 -9.5399 -9.5399 -9.5129 -9.5129 -3.6108 -3.6108 -3.4589 -3.4589 1.3487 1.3487 1.4021 1.4021 2.6058 2.6058 3.1059 3.1059 3.1651 3.1651 3.5658 3.5658 6.1938 6.1938 6.8581 6.8581 6.8887 6.8887 7.3842 7.3842 9.7014 9.7014 k = 0.3723 0.3723-0.0000 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1105 -38.1105 -37.8268 -37.8268 -37.8265 -37.8265 -37.8191 -37.8191 -37.8181 -37.8181 -26.1094 -26.1094 -26.1072 -26.1072 -9.8254 -9.8254 -9.8169 -9.8169 -9.5894 -9.5894 -9.5583 -9.5583 -9.5410 -9.5410 -9.5120 -9.5120 -3.6356 -3.6356 -3.4577 -3.4577 1.3741 1.3741 1.4330 1.4330 2.5789 2.5789 3.1171 3.1171 3.1767 3.1767 3.6077 3.6077 6.1955 6.1955 6.8971 6.8971 6.9336 6.9336 7.4524 7.4524 9.6697 9.6697 k = 0.3617 0.3617-0.0000 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1104 -38.1104 -37.8268 -37.8268 -37.8264 -37.8264 -37.8193 -37.8193 -37.8180 -37.8180 -26.1096 -26.1096 -26.1071 -26.1071 -9.8257 -9.8257 -9.8159 -9.8159 -9.5895 -9.5895 -9.5567 -9.5567 -9.5419 -9.5419 -9.5111 -9.5111 -3.6617 -3.6617 -3.4565 -3.4565 1.4014 1.4014 1.4659 1.4659 2.5539 2.5539 3.1233 3.1233 3.1941 3.1941 3.6502 3.6502 6.2046 6.2046 6.9185 6.9185 6.9994 6.9994 7.5207 7.5207 9.6344 9.6344 k = 0.3511 0.3511-0.0000 ( 9824 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1104 -38.1104 -37.8268 -37.8268 -37.8264 -37.8264 -37.8194 -37.8194 -37.8180 -37.8180 -26.1098 -26.1098 -26.1070 -26.1070 -9.8260 -9.8260 -9.8148 -9.8148 -9.5896 -9.5896 -9.5554 -9.5554 -9.5425 -9.5425 -9.5103 -9.5103 -3.6891 -3.6891 -3.4555 -3.4555 1.4303 1.4303 1.5009 1.5009 2.5311 2.5311 3.1253 3.1253 3.2166 3.2166 3.6933 3.6933 6.2214 6.2214 6.9398 6.9398 7.0676 7.0676 7.5889 7.5889 9.5952 9.5952 k = 0.3404 0.3404-0.0000 ( 9814 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1103 -38.1103 -37.8268 -37.8268 -37.8263 -37.8263 -37.8195 -37.8195 -37.8179 -37.8179 -26.1101 -26.1101 -26.1069 -26.1069 -9.8263 -9.8263 -9.8136 -9.8136 -9.5895 -9.5895 -9.5543 -9.5543 -9.5428 -9.5428 -9.5095 -9.5095 -3.7176 -3.7176 -3.4546 -3.4546 1.4606 1.4606 1.5378 1.5378 2.5107 2.5107 3.1247 3.1247 3.2429 3.2429 3.7367 3.7367 6.2459 6.2459 6.9623 6.9623 7.1358 7.1358 7.6567 7.6567 9.5484 9.5484 k = 0.3298 0.3298-0.0000 ( 9822 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1113 -38.1113 -38.1102 -38.1102 -37.8267 -37.8267 -37.8262 -37.8262 -37.8197 -37.8197 -37.8178 -37.8178 -26.1103 -26.1103 -26.1067 -26.1067 -9.8266 -9.8266 -9.8124 -9.8124 -9.5893 -9.5893 -9.5538 -9.5538 -9.5427 -9.5427 -9.5088 -9.5088 -3.7471 -3.7471 -3.4539 -3.4539 1.4919 1.4919 1.5766 1.5766 2.4931 2.4931 3.1226 3.1226 3.2719 3.2719 3.7805 3.7805 6.2780 6.2780 6.9863 6.9863 7.2028 7.2028 7.7238 7.7238 9.4001 9.4001 k = 0.3191 0.3191-0.0000 ( 9832 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1102 -38.1102 -37.8267 -37.8267 -37.8262 -37.8262 -37.8198 -37.8198 -37.8178 -37.8178 -26.1106 -26.1106 -26.1066 -26.1066 -9.8270 -9.8270 -9.8111 -9.8111 -9.5890 -9.5890 -9.5537 -9.5537 -9.5420 -9.5420 -9.5082 -9.5082 -3.7773 -3.7773 -3.4535 -3.4535 1.5240 1.5240 1.6173 1.6173 2.4783 2.4783 3.1198 3.1198 3.3033 3.3033 3.8244 3.8244 6.3174 6.3174 7.0119 7.0119 7.2674 7.2674 7.7899 7.7899 9.2353 9.2353 k = 0.3085 0.3085-0.0000 ( 9830 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1101 -38.1101 -37.8267 -37.8267 -37.8261 -37.8261 -37.8200 -37.8200 -37.8177 -37.8177 -26.1109 -26.1109 -26.1064 -26.1064 -9.8273 -9.8273 -9.8097 -9.8097 -9.5886 -9.5886 -9.5540 -9.5540 -9.5409 -9.5409 -9.5076 -9.5076 -3.8081 -3.8081 -3.4533 -3.4533 1.5562 1.5562 1.6598 1.6598 2.4666 2.4666 3.1172 3.1172 3.3368 3.3368 3.8682 3.8682 6.3637 6.3637 7.0390 7.0390 7.3287 7.3287 7.8542 7.8542 9.0719 9.0719 k = 0.2979 0.2979-0.0000 ( 9824 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1115 -38.1115 -38.1100 -38.1100 -37.8267 -37.8267 -37.8261 -37.8261 -37.8201 -37.8201 -37.8176 -37.8176 -26.1112 -26.1112 -26.1063 -26.1063 -9.8277 -9.8277 -9.8083 -9.8083 -9.5881 -9.5881 -9.5546 -9.5546 -9.5395 -9.5395 -9.5070 -9.5070 -3.8394 -3.8394 -3.4534 -3.4534 1.5881 1.5881 1.7041 1.7041 2.4581 2.4581 3.1153 3.1153 3.3723 3.3723 3.9117 3.9117 6.4165 6.4165 7.0677 7.0677 7.3856 7.3856 7.9161 7.9161 8.9109 8.9109 k = 0.2872 0.2872-0.0000 ( 9826 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1115 -38.1115 -38.1100 -38.1100 -37.8267 -37.8267 -37.8260 -37.8260 -37.8203 -37.8203 -37.8175 -37.8175 -26.1115 -26.1115 -26.1061 -26.1061 -9.8280 -9.8280 -9.8068 -9.8068 -9.5875 -9.5875 -9.5554 -9.5554 -9.5379 -9.5379 -9.5065 -9.5065 -3.8711 -3.8711 -3.4538 -3.4538 1.6191 1.6191 1.7503 1.7503 2.4530 2.4530 3.1150 3.1150 3.4096 3.4096 3.9548 3.9548 6.4750 6.4750 7.0978 7.0978 7.4374 7.4374 7.9746 7.9746 8.7533 8.7533 k = 0.2766 0.2766-0.0000 ( 9820 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1116 -38.1116 -38.1099 -38.1099 -37.8267 -37.8267 -37.8259 -37.8259 -37.8204 -37.8204 -37.8174 -37.8174 -26.1118 -26.1118 -26.1060 -26.1060 -9.8284 -9.8284 -9.8052 -9.8052 -9.5868 -9.5868 -9.5562 -9.5562 -9.5362 -9.5362 -9.5061 -9.5061 -3.9029 -3.9029 -3.4545 -3.4545 1.6484 1.6484 1.7983 1.7983 2.4515 2.4515 3.1170 3.1170 3.4486 3.4486 3.9971 3.9971 6.5384 6.5384 7.1293 7.1293 7.4832 7.4832 8.0284 8.0284 8.6002 8.6002 k = 0.2660 0.2660-0.0000 ( 9816 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1117 -38.1117 -38.1098 -38.1098 -37.8266 -37.8266 -37.8259 -37.8259 -37.8206 -37.8206 -37.8174 -37.8174 -26.1121 -26.1121 -26.1058 -26.1058 -9.8287 -9.8287 -9.8037 -9.8037 -9.5860 -9.5860 -9.5571 -9.5571 -9.5345 -9.5345 -9.5057 -9.5057 -3.9347 -3.9347 -3.4556 -3.4556 1.6756 1.6756 1.8483 1.8483 2.4536 2.4536 3.1222 3.1222 3.4893 3.4893 4.0384 4.0384 6.6055 6.6055 7.1620 7.1620 7.5221 7.5221 8.0754 8.0754 8.4532 8.4532 k = 0.2553 0.2553-0.0000 ( 9814 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1117 -38.1117 -38.1098 -38.1098 -37.8266 -37.8266 -37.8258 -37.8258 -37.8207 -37.8207 -37.8173 -37.8173 -26.1124 -26.1124 -26.1056 -26.1056 -9.8290 -9.8290 -9.8020 -9.8020 -9.5852 -9.5852 -9.5580 -9.5580 -9.5327 -9.5327 -9.5053 -9.5053 -3.9664 -3.9664 -3.4569 -3.4569 1.7000 1.7000 1.9000 1.9000 2.4594 2.4594 3.1313 3.1313 3.5314 3.5314 4.0784 4.0784 6.6749 6.6749 7.1957 7.1957 7.5524 7.5524 8.1124 8.1124 8.3163 8.3163 k = 0.2447 0.2447-0.0000 ( 9802 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1097 -38.1097 -37.8266 -37.8266 -37.8257 -37.8257 -37.8209 -37.8209 -37.8171 -37.8171 -26.1127 -26.1127 -26.1055 -26.1055 -9.8293 -9.8293 -9.8004 -9.8004 -9.5843 -9.5843 -9.5589 -9.5589 -9.5310 -9.5310 -9.5049 -9.5049 -3.9979 -3.9979 -3.4586 -3.4586 1.7210 1.7210 1.9536 1.9536 2.4691 2.4691 3.1449 3.1449 3.5751 3.5751 4.1169 4.1169 6.7449 6.7449 7.2297 7.2297 7.5711 7.5711 8.1247 8.1247 8.2057 8.2057 k = 0.2340 0.2340-0.0000 ( 9804 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1096 -38.1096 -37.8266 -37.8266 -37.8257 -37.8257 -37.8210 -37.8210 -37.8171 -37.8171 -26.1130 -26.1130 -26.1053 -26.1053 -9.8296 -9.8296 -9.7987 -9.7987 -9.5834 -9.5834 -9.5598 -9.5598 -9.5292 -9.5292 -9.5046 -9.5046 -4.0290 -4.0290 -3.4606 -3.4606 1.7382 1.7382 2.0089 2.0089 2.4826 2.4826 3.1637 3.1637 3.6200 3.6200 4.1534 4.1534 6.8130 6.8130 7.2632 7.2632 7.5720 7.5720 8.0584 8.0584 8.1746 8.1746 k = 0.2234 0.2234-0.0000 ( 9802 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1095 -38.1095 -37.8266 -37.8266 -37.8256 -37.8256 -37.8212 -37.8212 -37.8170 -37.8170 -26.1133 -26.1133 -26.1052 -26.1052 -9.8299 -9.8299 -9.7970 -9.7970 -9.5825 -9.5825 -9.5606 -9.5606 -9.5276 -9.5276 -9.5043 -9.5043 -4.0596 -4.0596 -3.4628 -3.4628 1.7515 1.7515 2.0658 2.0658 2.4999 2.4999 3.1881 3.1881 3.6662 3.6662 4.1877 4.1877 6.8764 6.8764 7.2945 7.2945 7.5455 7.5455 7.9845 7.9845 8.0874 8.0874 k = 0.2128 0.2128-0.0000 ( 9800 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1120 -38.1120 -38.1094 -38.1094 -37.8266 -37.8266 -37.8256 -37.8256 -37.8213 -37.8213 -37.8168 -37.8168 -26.1136 -26.1136 -26.1050 -26.1050 -9.8302 -9.8302 -9.7953 -9.7953 -9.5816 -9.5816 -9.5614 -9.5614 -9.5260 -9.5260 -9.5039 -9.5039 -4.0896 -4.0896 -3.4654 -3.4654 1.7608 1.7608 2.1241 2.1241 2.5211 2.5211 3.2182 3.2182 3.7134 3.7134 4.2196 4.2196 6.9315 6.9315 7.3199 7.3199 7.4853 7.4853 7.9428 7.9428 7.9541 7.9541 k = 0.2021 0.2021-0.0000 ( 9796 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1120 -38.1120 -38.1094 -38.1094 -37.8266 -37.8266 -37.8255 -37.8255 -37.8215 -37.8215 -37.8167 -37.8167 -26.1139 -26.1139 -26.1048 -26.1048 -9.8304 -9.8304 -9.7936 -9.7936 -9.5807 -9.5807 -9.5620 -9.5620 -9.5245 -9.5245 -9.5036 -9.5036 -4.1189 -4.1189 -3.4682 -3.4682 1.7662 1.7662 2.1836 2.1836 2.5462 2.5462 3.2542 3.2542 3.7615 3.7615 4.2486 4.2486 6.9740 6.9740 7.3314 7.3314 7.3978 7.3978 7.8323 7.8323 7.9352 7.9352 k = 0.1915 0.1915-0.0000 ( 9794 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1121 -38.1121 -38.1093 -38.1093 -37.8266 -37.8266 -37.8255 -37.8255 -37.8216 -37.8216 -37.8166 -37.8166 -26.1142 -26.1142 -26.1047 -26.1047 -9.8307 -9.8307 -9.7920 -9.7920 -9.5798 -9.5798 -9.5626 -9.5626 -9.5231 -9.5231 -9.5032 -9.5032 -4.1473 -4.1473 -3.4712 -3.4712 1.7679 1.7679 2.2440 2.2440 2.5750 2.5750 3.2959 3.2959 3.8103 3.8103 4.2747 4.2747 6.9997 6.9997 7.2942 7.2942 7.3155 7.3155 7.7452 7.7452 7.9465 7.9465 k = 0.1809 0.1809-0.0000 ( 9796 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1092 -38.1092 -37.8266 -37.8266 -37.8254 -37.8254 -37.8218 -37.8218 -37.8165 -37.8165 -26.1144 -26.1144 -26.1045 -26.1045 -9.8309 -9.8309 -9.7903 -9.7903 -9.5790 -9.5790 -9.5631 -9.5631 -9.5218 -9.5218 -9.5028 -9.5028 -4.1748 -4.1748 -3.4744 -3.4744 1.7663 1.7663 2.3051 2.3051 2.6075 2.6075 3.3428 3.3428 3.8596 3.8596 4.2975 4.2975 7.0055 7.0055 7.1864 7.1864 7.2551 7.2551 7.7062 7.7062 7.9705 7.9705 k = 0.1702 0.1702-0.0000 ( 9800 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1122 -38.1122 -38.1092 -38.1092 -37.8266 -37.8266 -37.8254 -37.8254 -37.8219 -37.8219 -37.8164 -37.8164 -26.1147 -26.1147 -26.1044 -26.1044 -9.8310 -9.8310 -9.7886 -9.7886 -9.5783 -9.5783 -9.5634 -9.5634 -9.5207 -9.5207 -9.5022 -9.5022 -4.2013 -4.2013 -3.4777 -3.4777 1.7618 1.7618 2.3665 2.3665 2.6438 2.6438 3.3944 3.3944 3.9091 3.9091 4.3172 4.3172 6.9898 6.9898 7.0776 7.0776 7.1585 7.1585 7.7099 7.7099 8.0029 8.0029 k = 0.1596 0.1596-0.0000 ( 9804 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8266 -37.8266 -37.8254 -37.8254 -37.8220 -37.8220 -37.8163 -37.8163 -26.1150 -26.1150 -26.1043 -26.1043 -9.8312 -9.8312 -9.7870 -9.7870 -9.5777 -9.5777 -9.5635 -9.5635 -9.5198 -9.5198 -9.5016 -9.5016 -4.2266 -4.2266 -3.4811 -3.4811 1.7549 1.7549 2.4279 2.4279 2.6838 2.6838 3.4499 3.4499 3.9586 3.9586 4.3337 4.3337 6.9518 6.9518 6.9727 6.9727 7.0434 7.0434 7.7390 7.7390 8.0417 8.0417 k = 0.1489 0.1489-0.0000 ( 9794 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8266 -37.8266 -37.8253 -37.8253 -37.8221 -37.8221 -37.8162 -37.8162 -26.1152 -26.1152 -26.1041 -26.1041 -9.8313 -9.8313 -9.7855 -9.7855 -9.5773 -9.5773 -9.5635 -9.5635 -9.5191 -9.5191 -9.5009 -9.5009 -4.2507 -4.2507 -3.4846 -3.4846 1.7461 1.7461 2.4889 2.4889 2.7273 2.7273 3.5086 3.5086 4.0077 4.0077 4.3474 4.3474 6.8638 6.8638 6.9027 6.9027 6.9225 6.9225 7.7818 7.7818 8.0861 8.0861 k = 0.1383 0.1383-0.0000 ( 9787 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8266 -37.8266 -37.8253 -37.8253 -37.8222 -37.8222 -37.8161 -37.8161 -26.1155 -26.1155 -26.1040 -26.1040 -9.8315 -9.8315 -9.7840 -9.7840 -9.5770 -9.5770 -9.5633 -9.5633 -9.5186 -9.5186 -9.5001 -9.5001 -4.2735 -4.2735 -3.4881 -3.4881 1.7360 1.7360 2.5490 2.5490 2.7743 2.7743 3.5691 3.5691 4.0558 4.0558 4.3587 4.3587 6.7612 6.7612 6.8034 6.8034 6.8355 6.8355 7.8328 7.8328 8.1352 8.1352 k = 0.1277 0.1277-0.0000 ( 9775 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1089 -38.1089 -37.8266 -37.8266 -37.8252 -37.8252 -37.8223 -37.8223 -37.8160 -37.8160 -26.1157 -26.1157 -26.1039 -26.1039 -9.8316 -9.8316 -9.7825 -9.7825 -9.5769 -9.5769 -9.5630 -9.5630 -9.5182 -9.5182 -9.4993 -9.4993 -4.2949 -4.2949 -3.4916 -3.4916 1.7249 1.7249 2.6080 2.6080 2.8243 2.8243 3.6302 3.6302 4.1025 4.1025 4.3688 4.3688 6.6535 6.6535 6.6973 6.6973 6.7573 6.7573 7.8894 7.8894 8.1881 8.1881 k = 0.1170 0.1170-0.0000 ( 9773 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1089 -38.1089 -37.8266 -37.8266 -37.8252 -37.8252 -37.8224 -37.8224 -37.8160 -37.8160 -26.1159 -26.1159 -26.1038 -26.1038 -9.8316 -9.8316 -9.7812 -9.7812 -9.5769 -9.5769 -9.5625 -9.5625 -9.5180 -9.5180 -9.4984 -9.4984 -4.3149 -4.3149 -3.4950 -3.4950 1.7133 1.7133 2.6656 2.6656 2.8768 2.8768 3.6901 3.6901 4.1471 4.1471 4.3789 4.3789 6.5403 6.5403 6.6065 6.6065 6.6718 6.6718 7.9502 7.9502 8.1565 8.1565 k = 0.1064 0.1064-0.0000 ( 9775 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1125 -38.1125 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8225 -37.8225 -37.8159 -37.8159 -26.1161 -26.1161 -26.1037 -26.1037 -9.8317 -9.8317 -9.7799 -9.7799 -9.5770 -9.5770 -9.5619 -9.5619 -9.5179 -9.5179 -9.4975 -9.4975 -4.3334 -4.3334 -3.4983 -3.4983 1.7015 1.7015 2.7214 2.7214 2.9312 2.9312 3.7465 3.7465 4.1887 4.1887 4.3913 4.3913 6.4283 6.4283 6.5261 6.5261 6.5816 6.5816 8.0145 8.0145 8.0658 8.0658 k = 0.0957 0.0957-0.0000 ( 9771 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8226 -37.8226 -37.8158 -37.8158 -26.1163 -26.1163 -26.1036 -26.1036 -9.8318 -9.8318 -9.7787 -9.7787 -9.5772 -9.5772 -9.5613 -9.5613 -9.5179 -9.5179 -9.4966 -9.4966 -4.3502 -4.3502 -3.5014 -3.5014 1.6900 1.6900 2.7754 2.7754 2.9866 2.9866 3.7966 3.7966 4.2269 4.2269 4.4082 4.4082 6.3209 6.3209 6.4531 6.4531 6.4896 6.4896 7.9807 7.9807 8.0822 8.0822 k = 0.0851 0.0851-0.0000 ( 9763 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8266 -37.8266 -37.8252 -37.8252 -37.8226 -37.8226 -37.8158 -37.8158 -26.1164 -26.1164 -26.1035 -26.1035 -9.8318 -9.8318 -9.7776 -9.7776 -9.5774 -9.5774 -9.5606 -9.5606 -9.5180 -9.5180 -9.4957 -9.4957 -4.3655 -4.3655 -3.5043 -3.5043 1.6789 1.6789 2.8271 2.8271 3.0421 3.0421 3.8377 3.8377 4.2618 4.2618 4.4313 4.4313 6.2201 6.2201 6.3811 6.3811 6.4038 6.4038 7.9023 7.9023 8.1525 8.1525 k = 0.0745 0.0745-0.0000 ( 9771 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1087 -38.1087 -37.8266 -37.8266 -37.8252 -37.8252 -37.8227 -37.8227 -37.8157 -37.8157 -26.1166 -26.1166 -26.1034 -26.1034 -9.8319 -9.8319 -9.7766 -9.7766 -9.5776 -9.5776 -9.5600 -9.5600 -9.5181 -9.5181 -9.4949 -9.4949 -4.3791 -4.3791 -3.5070 -3.5070 1.6686 1.6686 2.8761 2.8761 3.0965 3.0965 3.8673 3.8673 4.2944 4.2944 4.4613 4.4613 6.1271 6.1271 6.2954 6.2954 6.3408 6.3408 7.8310 7.8310 8.2256 8.2256 k = 0.0638 0.0638-0.0000 ( 9769 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1087 -38.1087 -37.8266 -37.8266 -37.8252 -37.8252 -37.8228 -37.8228 -37.8157 -37.8157 -26.1167 -26.1167 -26.1033 -26.1033 -9.8319 -9.8319 -9.7758 -9.7758 -9.5778 -9.5778 -9.5594 -9.5594 -9.5183 -9.5183 -9.4941 -9.4941 -4.3909 -4.3909 -3.5094 -3.5094 1.6593 1.6593 2.9218 2.9218 3.1486 3.1486 3.8844 3.8844 4.3258 4.3258 4.4969 4.4969 6.0430 6.0430 6.2069 6.2069 6.2914 6.2914 7.7676 7.7676 8.3012 8.3012 k = 0.0532 0.0532-0.0000 ( 9771 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8266 -37.8266 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1168 -26.1168 -26.1033 -26.1033 -9.8319 -9.8319 -9.7750 -9.7750 -9.5781 -9.5781 -9.5589 -9.5589 -9.5184 -9.5184 -9.4934 -9.4934 -4.4010 -4.4010 -3.5114 -3.5114 1.6511 1.6511 2.9634 2.9634 3.1971 3.1971 3.8901 3.8901 4.3557 4.3557 4.5362 4.5362 5.9690 5.9690 6.1231 6.1231 6.2506 6.2506 7.7125 7.7125 8.3790 8.3790 k = 0.0426 0.0426-0.0000 ( 9773 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8266 -37.8266 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1169 -26.1169 -26.1032 -26.1032 -9.8319 -9.8319 -9.7744 -9.7744 -9.5782 -9.5782 -9.5584 -9.5584 -9.5186 -9.5186 -9.4929 -9.4929 -4.4093 -4.4093 -3.5132 -3.5132 1.6442 1.6442 2.9998 2.9998 3.2405 3.2405 3.8873 3.8873 4.3828 4.3828 4.5765 4.5765 5.9064 5.9064 6.0471 6.0471 6.2177 6.2177 7.6666 7.6666 8.4589 8.4589 k = 0.0319 0.0319-0.0000 ( 9769 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8266 -37.8266 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8319 -9.8319 -9.7739 -9.7739 -9.5784 -9.5784 -9.5580 -9.5580 -9.5187 -9.5187 -9.4924 -9.4924 -4.4158 -4.4158 -3.5145 -3.5145 1.6387 1.6387 3.0299 3.0299 3.2773 3.2773 3.8795 3.8795 4.4054 4.4054 4.6144 4.6144 5.8562 5.8562 5.9823 5.9823 6.1923 6.1923 7.6302 7.6302 8.5402 8.5402 k = 0.0213 0.0213-0.0000 ( 9789 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8319 -9.8319 -9.7736 -9.7736 -9.5785 -9.5785 -9.5577 -9.5577 -9.5189 -9.5189 -9.4921 -9.4921 -4.4205 -4.4205 -3.5155 -3.5155 1.6347 1.6347 3.0525 3.0525 3.3055 3.3055 3.8704 3.8704 4.4223 4.4223 4.6458 4.6458 5.8195 5.8195 5.9321 5.9321 6.1743 6.1743 7.6038 7.6038 8.6211 8.6211 k = 0.0106 0.0106-0.0000 ( 9793 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8320 -9.8320 -9.7733 -9.7733 -9.5786 -9.5786 -9.5576 -9.5576 -9.5189 -9.5189 -9.4919 -9.4919 -4.4233 -4.4233 -3.5161 -3.5161 1.6323 1.6323 3.0665 3.0665 3.3234 3.3234 3.8634 3.8634 4.4327 4.4327 4.6668 4.6668 5.7972 5.7972 5.9002 5.9002 6.1635 6.1635 7.5879 7.5879 8.6941 8.6941 k = 0.0000 0.0000 0.0000 ( 9805 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8320 -9.8320 -9.7733 -9.7733 -9.5786 -9.5786 -9.5575 -9.5575 -9.5190 -9.5190 -9.4918 -9.4918 -4.4242 -4.4242 -3.5163 -3.5163 1.6315 1.6315 3.0713 3.0713 3.3295 3.3295 3.8607 3.8607 4.4362 4.4362 4.6742 4.6742 5.7896 5.7896 5.8892 5.8892 6.1599 6.1599 7.5825 7.5825 8.7277 8.7277 k = 0.0000 0.0000 0.0000 ( 9805 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8320 -9.8320 -9.7733 -9.7733 -9.5786 -9.5786 -9.5575 -9.5575 -9.5190 -9.5190 -9.4918 -9.4918 -4.4242 -4.4242 -3.5163 -3.5163 1.6315 1.6315 3.0713 3.0713 3.3295 3.3295 3.8607 3.8607 4.4362 4.4362 4.6742 4.6742 5.7896 5.7896 5.8892 5.8892 6.1599 6.1599 7.5825 7.5825 8.7277 8.7277 k = 0.0000 0.0000 0.0147 ( 9797 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8319 -9.8319 -9.7733 -9.7733 -9.5786 -9.5786 -9.5575 -9.5575 -9.5190 -9.5190 -9.4918 -9.4918 -4.4238 -4.4238 -3.5168 -3.5168 1.6325 1.6325 3.0712 3.0712 3.3294 3.3294 3.8565 3.8565 4.4336 4.4336 4.6743 4.6743 5.7905 5.7905 5.8970 5.8970 6.1633 6.1633 7.5766 7.5766 8.7299 8.7299 k = 0.0000 0.0000 0.0293 ( 9785 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8266 -37.8266 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8319 -9.8319 -9.7733 -9.7733 -9.5785 -9.5785 -9.5575 -9.5575 -9.5190 -9.5190 -9.4918 -9.4918 -4.4225 -4.4225 -3.5182 -3.5182 1.6353 1.6353 3.0709 3.0709 3.3291 3.3291 3.8438 3.8438 4.4263 4.4263 4.6746 4.6746 5.7930 5.7930 5.9197 5.9197 6.1736 6.1736 7.5593 7.5593 8.7365 8.7365 k = 0.0000 0.0000 0.0440 ( 9786 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8266 -37.8266 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1031 -26.1031 -9.8319 -9.8319 -9.7734 -9.7734 -9.5785 -9.5785 -9.5575 -9.5575 -9.5192 -9.5192 -9.4918 -9.4918 -4.4205 -4.4205 -3.5206 -3.5206 1.6401 1.6401 3.0704 3.0704 3.3285 3.3285 3.8227 3.8227 4.4156 4.4156 4.6751 4.6751 5.7971 5.7971 5.9551 5.9551 6.1917 6.1917 7.5319 7.5319 8.7474 8.7474 k = 0.0000 0.0000 0.0587 ( 9798 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8318 -9.8318 -9.7735 -9.7735 -9.5784 -9.5784 -9.5575 -9.5575 -9.5193 -9.5193 -9.4918 -9.4918 -4.4177 -4.4177 -3.5238 -3.5238 1.6468 1.6468 3.0696 3.0696 3.3277 3.3277 3.7937 3.7937 4.4027 4.4027 4.6758 4.6758 5.8028 5.8028 5.9995 5.9995 6.2191 6.2191 7.4963 7.4963 8.7627 8.7627 k = 0.0000 0.0000 0.0733 ( 9786 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8317 -9.8317 -9.7736 -9.7736 -9.5782 -9.5782 -9.5575 -9.5575 -9.5195 -9.5195 -9.4918 -9.4918 -4.4141 -4.4141 -3.5278 -3.5278 1.6552 1.6552 3.0687 3.0687 3.3267 3.3267 3.7574 3.7574 4.3894 4.3894 4.6767 4.6767 5.8101 5.8101 6.0482 6.0482 6.2581 6.2581 7.4546 7.4546 8.7821 8.7821 k = 0.0000 0.0000 0.0880 ( 9774 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8316 -9.8316 -9.7738 -9.7738 -9.5781 -9.5781 -9.5574 -9.5574 -9.5197 -9.5197 -9.4919 -9.4919 -4.4099 -4.4099 -3.5326 -3.5326 1.6652 1.6652 3.0677 3.0677 3.3255 3.3255 3.7148 3.7148 4.3766 4.3766 4.6777 4.6777 5.8188 5.8188 6.0965 6.0965 6.3110 6.3110 7.4085 7.4085 8.8055 8.8055 k = 0.0000 0.0000 0.1027 ( 9770 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8315 -9.8315 -9.7739 -9.7739 -9.5779 -9.5779 -9.5574 -9.5574 -9.5200 -9.5200 -9.4919 -9.4919 -4.4052 -4.4052 -3.5380 -3.5380 1.6769 1.6769 3.0666 3.0666 3.3242 3.3242 3.6671 3.6671 4.3651 4.3651 4.6789 4.6789 5.8288 5.8288 6.1415 6.1415 6.3783 6.3783 7.3597 7.3597 8.8325 8.8325 k = 0.0000 0.0000 0.1173 ( 9778 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8314 -9.8314 -9.7741 -9.7741 -9.5777 -9.5777 -9.5574 -9.5574 -9.5202 -9.5202 -9.4919 -9.4919 -4.4000 -4.4000 -3.5439 -3.5439 1.6899 1.6899 3.0653 3.0653 3.3228 3.3228 3.6157 3.6157 4.3552 4.3552 4.6801 4.6801 5.8401 5.8401 6.1828 6.1828 6.4579 6.4579 7.3096 7.3096 8.8615 8.8615 k = 0.0000 0.0000 0.1320 ( 9790 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8313 -9.8313 -9.7743 -9.7743 -9.5775 -9.5775 -9.5574 -9.5574 -9.5205 -9.5205 -9.4919 -9.4919 -4.3944 -4.3944 -3.5502 -3.5502 1.7041 1.7041 3.0640 3.0640 3.3213 3.3213 3.5620 3.5620 4.3469 4.3469 4.6814 4.6814 5.8523 5.8523 6.2216 6.2216 6.5466 6.5466 7.2593 7.2593 8.8858 8.8858 k = 0.0000 0.0000 0.1467 ( 9782 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8312 -9.8312 -9.7745 -9.7745 -9.5773 -9.5773 -9.5574 -9.5574 -9.5208 -9.5208 -9.4919 -9.4919 -4.3887 -4.3887 -3.5568 -3.5568 1.7193 1.7193 3.0628 3.0628 3.3198 3.3198 3.5074 3.5074 4.3401 4.3401 4.6827 4.6827 5.8654 5.8654 6.2588 6.2588 6.6414 6.6414 7.2099 7.2099 8.8671 8.8671 k = 0.0000 0.0000 0.1613 ( 9778 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8311 -9.8311 -9.7746 -9.7746 -9.5771 -9.5771 -9.5573 -9.5573 -9.5211 -9.5211 -9.4920 -9.4920 -4.3828 -4.3828 -3.5634 -3.5634 1.7352 1.7352 3.0615 3.0615 3.3182 3.3182 3.4532 3.4532 4.3347 4.3347 4.6840 4.6840 5.8791 5.8791 6.2950 6.2950 6.7397 6.7397 7.1621 7.1621 8.7880 8.7880 k = 0.0000 0.0000 0.1760 ( 9778 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1171 -26.1171 -26.1032 -26.1032 -9.8310 -9.8310 -9.7748 -9.7748 -9.5769 -9.5769 -9.5573 -9.5573 -9.5214 -9.5214 -9.4920 -9.4920 -4.3770 -4.3770 -3.5700 -3.5700 1.7514 1.7514 3.0604 3.0604 3.3168 3.3168 3.4008 3.4008 4.3303 4.3303 4.6853 4.6853 5.8930 5.8930 6.3301 6.3301 6.8396 6.8396 7.1167 7.1167 8.6955 8.6955 k = 0.0000 0.0000 0.1907 ( 9774 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8308 -9.8308 -9.7750 -9.7750 -9.5767 -9.5767 -9.5573 -9.5573 -9.5217 -9.5217 -9.4920 -9.4920 -4.3713 -4.3713 -3.5763 -3.5763 1.7674 1.7674 3.0593 3.0593 3.3154 3.3154 3.3511 3.3511 4.3269 4.3269 4.6865 4.6865 5.9069 5.9069 6.3637 6.3637 6.9392 6.9392 7.0744 7.0744 8.6019 8.6019 k = 0.0000 0.0000 0.2053 ( 9766 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8307 -9.8307 -9.7752 -9.7752 -9.5765 -9.5765 -9.5573 -9.5573 -9.5220 -9.5220 -9.4920 -9.4920 -4.3661 -4.3661 -3.5822 -3.5822 1.7829 1.7829 3.0585 3.0585 3.3053 3.3053 3.3141 3.3141 4.3243 4.3243 4.6876 4.6876 5.9203 5.9203 6.3951 6.3951 7.0359 7.0359 7.0368 7.0368 8.5102 8.5102 k = 0.0000 0.0000 0.2200 ( 9762 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8307 -9.8307 -9.7753 -9.7753 -9.5764 -9.5764 -9.5573 -9.5573 -9.5222 -9.5222 -9.4920 -9.4920 -4.3613 -4.3613 -3.5876 -3.5876 1.7974 1.7974 3.0579 3.0579 3.2643 3.2643 3.3129 3.3129 4.3223 4.3223 4.6886 4.6886 5.9328 5.9328 6.4237 6.4237 7.0019 7.0019 7.1305 7.1305 8.4223 8.4223 k = 0.0000 0.0000 0.2347 ( 9778 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8306 -9.8306 -9.7754 -9.7754 -9.5762 -9.5762 -9.5572 -9.5572 -9.5224 -9.5224 -9.4920 -9.4920 -4.3572 -4.3572 -3.5922 -3.5922 1.8102 1.8102 3.0575 3.0575 3.2291 3.2291 3.3120 3.3120 4.3208 4.3208 4.6894 4.6894 5.9439 5.9439 6.4486 6.4486 6.9729 6.9729 7.2178 7.2178 8.3404 8.3404 k = 0.0000 0.0000 0.2493 ( 9810 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8305 -9.8305 -9.7755 -9.7755 -9.5761 -9.5761 -9.5572 -9.5572 -9.5226 -9.5226 -9.4921 -9.4921 -4.3538 -4.3538 -3.5960 -3.5960 1.8209 1.8209 3.0574 3.0574 3.2005 3.2005 3.3112 3.3112 4.3197 4.3197 4.6901 4.6901 5.9532 5.9532 6.4690 6.4690 6.9496 6.9496 7.2955 7.2955 8.2673 8.2673 k = 0.0000 0.0000 0.2640 ( 9818 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8305 -9.8305 -9.7756 -9.7756 -9.5760 -9.5760 -9.5572 -9.5572 -9.5227 -9.5227 -9.4921 -9.4921 -4.3514 -4.3514 -3.5987 -3.5987 1.8289 1.8289 3.0575 3.0575 3.1794 3.1794 3.3106 3.3106 4.3190 4.3190 4.6905 4.6905 5.9602 5.9602 6.4842 6.4842 6.9325 6.9325 7.3588 7.3588 8.2075 8.2075 k = 0.0000 0.0000 0.2787 ( 9834 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8268 -37.8268 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5572 -9.5572 -9.5228 -9.5228 -9.4921 -9.4921 -4.3499 -4.3499 -3.6004 -3.6004 1.8339 1.8339 3.0577 3.0577 3.1663 3.1663 3.3102 3.3102 4.3185 4.3185 4.6908 4.6908 5.9646 5.9646 6.4936 6.4936 6.9221 6.9221 7.4013 7.4013 8.1673 8.1673 k = 0.0000 0.0000 0.2933 ( 9830 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5572 -9.5572 -9.5228 -9.5228 -9.4921 -9.4921 -4.3493 -4.3493 -3.6010 -3.6010 1.8356 1.8356 3.0578 3.0578 3.1619 3.1619 3.3101 3.3101 4.3184 4.3184 4.6909 4.6909 5.9661 5.9661 6.4967 6.4967 6.9186 6.9186 7.4165 7.4165 8.1529 8.1529 k = 0.0000 0.0000 0.2933 ( 9830 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5572 -9.5572 -9.5228 -9.5228 -9.4921 -9.4921 -4.3493 -4.3493 -3.6010 -3.6010 1.8356 1.8356 3.0578 3.0578 3.1619 3.1619 3.3101 3.3101 4.3184 4.3184 4.6909 4.6909 5.9661 5.9661 6.4967 6.4967 6.9186 6.9186 7.4165 7.4165 8.1529 8.1529 k = 0.0000 0.0152 0.2933 ( 9822 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5573 -9.5573 -9.5228 -9.5228 -9.4921 -9.4921 -4.3485 -4.3485 -3.6007 -3.6007 1.8357 1.8357 3.0360 3.0360 3.1671 3.1671 3.3218 3.3218 4.3150 4.3150 4.6864 4.6864 5.9736 5.9736 6.5000 6.5000 6.9240 6.9240 7.4228 7.4228 8.1446 8.1446 k = 0.0000 0.0303 0.2933 ( 9828 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7759 -9.7759 -9.5759 -9.5759 -9.5575 -9.5575 -9.5226 -9.5226 -9.4923 -9.4923 -4.3458 -4.3458 -3.5997 -3.5997 1.8357 1.8357 2.9841 2.9841 3.1755 3.1755 3.3509 3.3509 4.3046 4.3046 4.6735 4.6735 5.9957 5.9957 6.5103 6.5103 6.9393 6.9393 7.4421 7.4421 8.1203 8.1203 k = 0.0000 0.0455 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8156 -37.8156 -26.1170 -26.1170 -26.1032 -26.1032 -9.8305 -9.8305 -9.7763 -9.7763 -9.5758 -9.5758 -9.5579 -9.5579 -9.5224 -9.5224 -9.4926 -9.4926 -4.3414 -4.3414 -3.5980 -3.5980 1.8356 1.8356 2.9166 2.9166 3.1831 3.1831 3.3873 3.3873 4.2865 4.2865 4.6542 4.6542 6.0306 6.0306 6.5283 6.5283 6.9623 6.9623 7.4752 7.4752 8.0812 8.0812 k = 0.0000 0.0606 0.2933 ( 9804 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1169 -26.1169 -26.1033 -26.1033 -9.8305 -9.8305 -9.7768 -9.7768 -9.5757 -9.5757 -9.5583 -9.5583 -9.5222 -9.5222 -9.4931 -9.4931 -4.3353 -4.3353 -3.5957 -3.5957 1.8354 1.8354 2.8400 2.8400 3.1907 3.1907 3.4252 3.4252 4.2603 4.2603 4.6311 4.6311 6.0754 6.0754 6.5559 6.5559 6.9897 6.9897 7.5230 7.5230 8.0297 8.0297 k = 0.0000 0.0758 0.2933 ( 9808 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8228 -37.8228 -37.8156 -37.8156 -26.1168 -26.1168 -26.1033 -26.1033 -9.8305 -9.8305 -9.7774 -9.7774 -9.5755 -9.5755 -9.5589 -9.5589 -9.5218 -9.5218 -9.4936 -9.4936 -4.3274 -4.3274 -3.5928 -3.5928 1.8349 1.8349 2.7572 2.7572 3.1990 3.1990 3.4617 3.4617 4.2254 4.2254 4.6068 4.6068 6.1264 6.1264 6.5953 6.5953 7.0186 7.0186 7.5854 7.5854 7.9683 7.9683 k = 0.0000 0.0909 0.2933 ( 9802 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8228 -37.8228 -37.8156 -37.8156 -26.1167 -26.1167 -26.1034 -26.1034 -9.8305 -9.8305 -9.7781 -9.7781 -9.5754 -9.5754 -9.5595 -9.5595 -9.5215 -9.5215 -9.4942 -9.4942 -4.3179 -4.3179 -3.5894 -3.5894 1.8338 1.8338 2.6702 2.6702 3.2083 3.2083 3.4959 3.4959 4.1823 4.1823 4.5836 4.5836 6.1790 6.1790 6.6493 6.6493 7.0466 7.0466 7.6602 7.6602 7.9016 7.9016 k = 0.0000 0.1061 0.2933 ( 9810 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8227 -37.8227 -37.8157 -37.8157 -26.1165 -26.1165 -26.1034 -26.1034 -9.8306 -9.8306 -9.7790 -9.7790 -9.5752 -9.5752 -9.5602 -9.5602 -9.5211 -9.5211 -9.4950 -9.4950 -4.3067 -4.3067 -3.5855 -3.5855 1.8320 1.8320 2.5803 2.5803 3.2189 3.2189 3.5274 3.5274 4.1325 4.1325 4.5623 4.5623 6.2293 6.2293 6.7197 6.7197 7.0723 7.0723 7.7310 7.7310 7.8471 7.8471 k = 0.0000 0.1212 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8267 -37.8267 -37.8252 -37.8252 -37.8227 -37.8227 -37.8158 -37.8158 -26.1164 -26.1164 -26.1035 -26.1035 -9.8306 -9.8306 -9.7800 -9.7800 -9.5750 -9.5750 -9.5609 -9.5609 -9.5208 -9.5208 -9.4958 -9.4958 -4.2939 -4.2939 -3.5812 -3.5812 1.8290 1.8290 2.4887 2.4887 3.2308 3.2308 3.5560 3.5560 4.0783 4.0783 4.5433 4.5433 6.2747 6.2747 6.8065 6.8065 7.0955 7.0955 7.7144 7.7144 7.8887 7.8887 k = 0.0000 0.1364 0.2933 ( 9820 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1126 -38.1126 -38.1088 -38.1088 -37.8267 -37.8267 -37.8252 -37.8252 -37.8226 -37.8226 -37.8159 -37.8159 -26.1162 -26.1162 -26.1036 -26.1036 -9.8306 -9.8306 -9.7811 -9.7811 -9.5749 -9.5749 -9.5617 -9.5617 -9.5204 -9.5204 -9.4966 -9.4966 -4.2794 -4.2794 -3.5766 -3.5766 1.8246 1.8246 2.3963 2.3963 3.2440 3.2440 3.5813 3.5813 4.0224 4.0224 4.5262 4.5262 6.3148 6.3148 6.9061 6.9061 7.1162 7.1162 7.6459 7.6459 7.9920 7.9920 k = 0.0000 0.1515 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1126 -38.1126 -38.1089 -38.1089 -37.8267 -37.8267 -37.8252 -37.8252 -37.8225 -37.8225 -37.8159 -37.8159 -26.1160 -26.1160 -26.1037 -26.1037 -9.8307 -9.8307 -9.7823 -9.7823 -9.5747 -9.5747 -9.5624 -9.5624 -9.5201 -9.5201 -9.4975 -9.4975 -4.2635 -4.2635 -3.5718 -3.5718 1.8183 1.8183 2.3041 2.3041 3.2585 3.2585 3.6023 3.6023 3.9684 3.9684 4.5105 4.5105 6.3503 6.3503 7.0100 7.0100 7.1349 7.1349 7.5792 7.5792 8.1069 8.1069 k = 0.0000 0.1667 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1089 -38.1089 -37.8266 -37.8266 -37.8252 -37.8252 -37.8224 -37.8224 -37.8160 -37.8160 -26.1158 -26.1158 -26.1038 -26.1038 -9.8307 -9.8307 -9.7836 -9.7836 -9.5746 -9.5746 -9.5631 -9.5631 -9.5198 -9.5198 -9.4984 -9.4984 -4.2460 -4.2460 -3.5669 -3.5669 1.8098 1.8098 2.2129 2.2129 3.2741 3.2741 3.6172 3.6172 3.9200 3.9200 4.4956 4.4956 6.3826 6.3826 7.0977 7.0977 7.1542 7.1542 7.5367 7.5367 8.2226 8.2226 k = 0.0000 0.1818 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1090 -38.1090 -37.8266 -37.8266 -37.8253 -37.8253 -37.8224 -37.8224 -37.8161 -37.8161 -26.1156 -26.1156 -26.1040 -26.1040 -9.8307 -9.8307 -9.7850 -9.7850 -9.5746 -9.5746 -9.5637 -9.5637 -9.5196 -9.5196 -9.4993 -9.4993 -4.2272 -4.2272 -3.5620 -3.5620 1.7983 1.7983 2.1236 2.1236 3.2907 3.2907 3.6236 3.6236 3.8818 3.8818 4.4812 4.4812 6.4126 6.4126 7.1346 7.1346 7.1730 7.1730 7.5536 7.5536 8.3275 8.3275 k = 0.0000 0.1970 0.2933 ( 9812 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8266 -37.8266 -37.8253 -37.8253 -37.8223 -37.8223 -37.8162 -37.8162 -26.1154 -26.1154 -26.1041 -26.1041 -9.8307 -9.8307 -9.7866 -9.7866 -9.5746 -9.5746 -9.5643 -9.5643 -9.5194 -9.5194 -9.5003 -9.5003 -4.2069 -4.2069 -3.5573 -3.5573 1.7834 1.7834 2.0370 2.0370 3.3081 3.3081 3.6189 3.6189 3.8579 3.8579 4.4670 4.4670 6.4410 6.4410 7.1221 7.1221 7.1733 7.1733 7.6459 7.6459 8.3970 8.3970 k = 0.0000 0.2121 0.2933 ( 9794 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8266 -37.8266 -37.8253 -37.8253 -37.8222 -37.8222 -37.8163 -37.8163 -26.1151 -26.1151 -26.1042 -26.1042 -9.8307 -9.8307 -9.7881 -9.7881 -9.5747 -9.5747 -9.5648 -9.5648 -9.5193 -9.5193 -9.5012 -9.5012 -4.1854 -4.1854 -3.5528 -3.5528 1.7641 1.7641 1.9543 1.9543 3.3261 3.3261 3.6037 3.6037 3.8491 3.8491 4.4525 4.4525 6.4682 6.4682 7.0700 7.0700 7.1739 7.1739 7.7846 7.7846 8.4025 8.4025 k = 0.0000 0.2273 0.2933 ( 9802 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8265 -37.8265 -37.8253 -37.8253 -37.8220 -37.8220 -37.8164 -37.8164 -26.1149 -26.1149 -26.1044 -26.1044 -9.8307 -9.8307 -9.7898 -9.7898 -9.5748 -9.5748 -9.5652 -9.5652 -9.5192 -9.5192 -9.5020 -9.5020 -4.1627 -4.1627 -3.5487 -3.5487 1.7389 1.7389 1.8771 1.8771 3.3440 3.3440 3.5830 3.5830 3.8518 3.8518 4.4378 4.4378 6.4938 6.4938 7.0034 7.0034 7.1731 7.1731 7.9458 7.9458 8.3577 8.3577 k = 0.0000 0.2424 0.2933 ( 9810 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1092 -38.1092 -37.8265 -37.8265 -37.8254 -37.8254 -37.8219 -37.8219 -37.8166 -37.8166 -26.1146 -26.1146 -26.1046 -26.1046 -9.8307 -9.8307 -9.7915 -9.7915 -9.5750 -9.5750 -9.5655 -9.5655 -9.5192 -9.5192 -9.5029 -9.5029 -4.1389 -4.1389 -3.5452 -3.5452 1.7050 1.7050 1.8085 1.8085 3.3611 3.3611 3.5626 3.5626 3.8612 3.8612 4.4226 4.4226 6.5169 6.5169 6.9356 6.9356 7.1682 7.1682 8.1195 8.1195 8.2926 8.2926 k = 0.0000 0.2576 0.2933 ( 9816 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1093 -38.1093 -37.8265 -37.8265 -37.8254 -37.8254 -37.8218 -37.8218 -37.8167 -37.8167 -26.1143 -26.1143 -26.1048 -26.1048 -9.8306 -9.8306 -9.7933 -9.7933 -9.5753 -9.5753 -9.5658 -9.5658 -9.5192 -9.5192 -9.5036 -9.5036 -4.1141 -4.1141 -3.5424 -3.5424 1.6594 1.6594 1.7521 1.7521 3.3765 3.3765 3.5474 3.5474 3.8737 3.8737 4.4069 4.4069 6.5353 6.5353 6.8736 6.8736 7.1581 7.1581 8.2214 8.2214 8.3011 8.3011 k = 0.0000 0.2727 0.2933 ( 9818 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1121 -38.1121 -38.1094 -38.1094 -37.8265 -37.8265 -37.8254 -37.8254 -37.8217 -37.8217 -37.8168 -37.8168 -26.1140 -26.1140 -26.1050 -26.1050 -9.8305 -9.8305 -9.7951 -9.7951 -9.5755 -9.5755 -9.5661 -9.5661 -9.5192 -9.5192 -9.5044 -9.5044 -4.0884 -4.0884 -3.5404 -3.5404 1.6038 1.6038 1.7065 1.7065 3.3890 3.3890 3.5404 3.5404 3.8871 3.8871 4.3906 4.3906 6.5447 6.5447 6.8244 6.8244 7.1420 7.1420 8.1496 8.1496 8.4870 8.4870 k = 0.0000 0.2879 0.2933 ( 9826 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1120 -38.1120 -38.1094 -38.1094 -37.8264 -37.8264 -37.8255 -37.8255 -37.8216 -37.8216 -37.8170 -37.8170 -26.1137 -26.1137 -26.1052 -26.1052 -9.8303 -9.8303 -9.7970 -9.7970 -9.5758 -9.5758 -9.5664 -9.5664 -9.5193 -9.5193 -9.5051 -9.5051 -4.0619 -4.0619 -3.5394 -3.5394 1.5448 1.5448 1.6658 1.6658 3.3984 3.3984 3.5430 3.5430 3.8998 3.8998 4.3736 4.3736 6.5392 6.5392 6.7954 6.7954 7.1197 7.1197 8.0794 8.0794 8.6348 8.6348 k = 0.0000 0.3030 0.2933 ( 9826 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1095 -38.1095 -37.8264 -37.8264 -37.8255 -37.8255 -37.8214 -37.8214 -37.8171 -37.8171 -26.1134 -26.1134 -26.1054 -26.1054 -9.8301 -9.8301 -9.7988 -9.7988 -9.5760 -9.5760 -9.5667 -9.5667 -9.5193 -9.5193 -9.5058 -9.5058 -4.0346 -4.0346 -3.5395 -3.5395 1.4870 1.4870 1.6262 1.6262 3.4059 3.4059 3.5543 3.5543 3.9111 3.9111 4.3559 4.3559 6.5167 6.5167 6.7899 6.7899 7.0910 7.0910 8.0119 8.0119 8.6119 8.6119 k = 0.0000 0.3182 0.2933 ( 9822 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1096 -38.1096 -37.8264 -37.8264 -37.8255 -37.8255 -37.8213 -37.8213 -37.8173 -37.8173 -26.1131 -26.1131 -26.1056 -26.1056 -9.8299 -9.8299 -9.8007 -9.8007 -9.5762 -9.5762 -9.5670 -9.5670 -9.5193 -9.5193 -9.5064 -9.5064 -4.0069 -4.0069 -3.5409 -3.5409 1.4326 1.4326 1.5861 1.5861 3.4135 3.4135 3.5722 3.5722 3.9201 3.9201 4.3375 4.3375 6.4831 6.4831 6.8029 6.8029 7.0559 7.0559 7.9474 7.9474 8.5776 8.5776 k = 0.0000 0.3333 0.2933 ( 9830 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1097 -38.1097 -37.8263 -37.8263 -37.8256 -37.8256 -37.8211 -37.8211 -37.8174 -37.8174 -26.1128 -26.1128 -26.1058 -26.1058 -9.8295 -9.8295 -9.8026 -9.8026 -9.5764 -9.5764 -9.5674 -9.5674 -9.5192 -9.5192 -9.5071 -9.5071 -3.9787 -3.9787 -3.5437 -3.5437 1.3825 1.3825 1.5454 1.5454 3.4230 3.4230 3.5943 3.5943 3.9265 3.9265 4.3182 4.3182 6.4461 6.4461 6.8275 6.8275 7.0151 7.0151 7.8859 7.8859 8.5448 8.5448 k = 0.0000 0.3485 0.2933 ( 9810 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1117 -38.1117 -38.1098 -38.1098 -37.8263 -37.8263 -37.8256 -37.8256 -37.8210 -37.8210 -37.8176 -37.8176 -26.1124 -26.1124 -26.1061 -26.1061 -9.8292 -9.8292 -9.8045 -9.8045 -9.5765 -9.5765 -9.5678 -9.5678 -9.5191 -9.5191 -9.5077 -9.5077 -3.9503 -3.9503 -3.5480 -3.5480 1.3375 1.3375 1.5043 1.5043 3.4355 3.4355 3.6190 3.6190 3.9301 3.9301 4.2980 4.2980 6.4112 6.4112 6.8588 6.8588 6.9691 6.9691 7.8270 7.8270 8.5146 8.5146 k = 0.0000 0.3636 0.2933 ( 9814 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1116 -38.1116 -38.1099 -38.1099 -37.8263 -37.8263 -37.8256 -37.8256 -37.8208 -37.8208 -37.8177 -37.8177 -26.1121 -26.1121 -26.1063 -26.1063 -9.8287 -9.8287 -9.8063 -9.8063 -9.5765 -9.5765 -9.5682 -9.5682 -9.5189 -9.5189 -9.5084 -9.5084 -3.9217 -3.9217 -3.5539 -3.5539 1.2977 1.2977 1.4635 1.4635 3.4512 3.4512 3.6450 3.6450 3.9310 3.9310 4.2768 4.2768 6.3813 6.3813 6.8943 6.8943 6.9191 6.9191 7.7703 7.7703 8.4871 8.4871 k = 0.0000 0.3788 0.2933 ( 9814 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1115 -38.1115 -38.1100 -38.1100 -37.8262 -37.8262 -37.8256 -37.8256 -37.8207 -37.8207 -37.8179 -37.8179 -26.1118 -26.1118 -26.1066 -26.1066 -9.8282 -9.8282 -9.8082 -9.8082 -9.5765 -9.5765 -9.5688 -9.5688 -9.5186 -9.5186 -9.5090 -9.5090 -3.8931 -3.8931 -3.5615 -3.5615 1.2635 1.2635 1.4233 1.4233 3.4701 3.4701 3.6710 3.6710 3.9297 3.9297 4.2543 4.2543 6.3580 6.3580 6.8653 6.8653 6.9335 6.9335 7.7154 7.7154 8.4625 8.4625 k = 0.0000 0.3939 0.2933 ( 9800 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1100 -38.1100 -37.8262 -37.8262 -37.8257 -37.8257 -37.8205 -37.8205 -37.8181 -37.8181 -26.1114 -26.1114 -26.1069 -26.1069 -9.8276 -9.8276 -9.8100 -9.8100 -9.5764 -9.5764 -9.5693 -9.5693 -9.5183 -9.5183 -9.5097 -9.5097 -3.8647 -3.8647 -3.5708 -3.5708 1.2350 1.2350 1.3845 1.3845 3.4919 3.4919 3.6956 3.6956 3.9272 3.9272 4.2305 4.2305 6.3422 6.3422 6.8099 6.8099 6.9745 6.9745 7.6616 7.6616 8.4408 8.4408 k = 0.0000 0.4091 0.2933 ( 9792 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1113 -38.1113 -38.1101 -38.1101 -37.8262 -37.8262 -37.8257 -37.8257 -37.8203 -37.8203 -37.8182 -37.8182 -26.1111 -26.1111 -26.1072 -26.1072 -9.8269 -9.8269 -9.8117 -9.8117 -9.5762 -9.5762 -9.5699 -9.5699 -9.5179 -9.5179 -9.5103 -9.5103 -3.8367 -3.8367 -3.5819 -3.5819 1.2122 1.2122 1.3476 1.3476 3.5162 3.5162 3.7168 3.7168 3.9256 3.9256 4.2053 4.2053 6.3345 6.3345 6.7535 6.7535 7.0175 7.0175 7.6088 7.6088 8.4222 8.4222 k = 0.0000 0.4242 0.2933 ( 9812 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1102 -38.1102 -37.8261 -37.8261 -37.8257 -37.8257 -37.8202 -37.8202 -37.8184 -37.8184 -26.1107 -26.1107 -26.1075 -26.1075 -9.8261 -9.8261 -9.8134 -9.8134 -9.5759 -9.5759 -9.5705 -9.5705 -9.5174 -9.5174 -9.5110 -9.5110 -3.8092 -3.8092 -3.5947 -3.5947 1.1951 1.1951 1.3131 1.3131 3.5424 3.5424 3.7319 3.7319 3.9274 3.9274 4.1785 4.1785 6.3350 6.3350 6.6972 6.6972 7.0621 7.0621 7.5566 7.5566 8.4066 8.4066 k = 0.0000 0.4394 0.2933 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1103 -38.1103 -37.8261 -37.8261 -37.8258 -37.8258 -37.8200 -37.8200 -37.8186 -37.8186 -26.1104 -26.1104 -26.1078 -26.1078 -9.8253 -9.8253 -9.8151 -9.8151 -9.5756 -9.5756 -9.5712 -9.5712 -9.5169 -9.5169 -9.5117 -9.5117 -3.7823 -3.7823 -3.6094 -3.6094 1.1839 1.1839 1.2815 1.2815 3.5700 3.5700 3.7382 3.7382 3.9355 3.9355 4.1503 4.1503 6.3436 6.3436 6.6420 6.6420 7.1079 7.1079 7.5048 7.5048 8.3942 8.3942 k = 0.0000 0.4545 0.2933 ( 9814 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1104 -38.1104 -37.8261 -37.8261 -37.8258 -37.8258 -37.8198 -37.8198 -37.8187 -37.8187 -26.1100 -26.1100 -26.1081 -26.1081 -9.8243 -9.8243 -9.8166 -9.8166 -9.5752 -9.5752 -9.5718 -9.5718 -9.5164 -9.5164 -9.5124 -9.5124 -3.7563 -3.7563 -3.6258 -3.6258 1.1782 1.1782 1.2535 1.2535 3.5983 3.5983 3.7345 3.7345 3.9511 3.9511 4.1209 4.1209 6.3599 6.3599 6.5888 6.5888 7.1550 7.1550 7.4534 7.4534 8.3850 8.3850 k = 0.0000 0.4697 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1109 -38.1109 -38.1105 -38.1105 -37.8260 -37.8260 -37.8259 -37.8259 -37.8196 -37.8196 -37.8189 -37.8189 -26.1097 -26.1097 -26.1084 -26.1084 -9.8233 -9.8233 -9.8181 -9.8181 -9.5747 -9.5747 -9.5725 -9.5725 -9.5157 -9.5157 -9.5131 -9.5131 -3.7313 -3.7313 -3.6438 -3.6438 1.1782 1.1782 1.2292 1.2292 3.6266 3.6266 3.7222 3.7222 3.9733 3.9733 4.0905 4.0905 6.3835 6.3835 6.5386 6.5386 7.2030 7.2030 7.4024 7.4024 8.3790 8.3790 k = 0.0000 0.4848 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1106 -38.1106 -37.8260 -37.8260 -37.8259 -37.8259 -37.8195 -37.8195 -37.8191 -37.8191 -26.1094 -26.1094 -26.1087 -26.1087 -9.8221 -9.8221 -9.8195 -9.8195 -9.5742 -9.5742 -9.5731 -9.5731 -9.5151 -9.5151 -9.5138 -9.5138 -3.7074 -3.7074 -3.6635 -3.6635 1.1835 1.1835 1.2093 1.2093 3.6542 3.6542 3.7034 3.7034 4.0000 4.0000 4.0598 4.0598 6.4139 6.4139 6.4922 6.4922 7.2519 7.2519 7.3517 7.3517 8.3764 8.3764 k = 0.0000 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8209 -9.8209 -9.8209 -9.8209 -9.5737 -9.5737 -9.5737 -9.5737 -9.5144 -9.5144 -9.5144 -9.5144 -3.6848 -3.6848 -3.6848 -3.6848 1.1939 1.1939 1.1939 1.1939 3.6802 3.6802 3.6802 3.6802 4.0293 4.0293 4.0293 4.0293 6.4504 6.4504 6.4504 6.4504 7.3015 7.3015 7.3015 7.3015 8.3771 8.3771 k = 0.0000 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8209 -9.8209 -9.8209 -9.8209 -9.5737 -9.5737 -9.5737 -9.5737 -9.5144 -9.5144 -9.5144 -9.5144 -3.6848 -3.6848 -3.6848 -3.6848 1.1939 1.1939 1.1939 1.1939 3.6802 3.6802 3.6802 3.6802 4.0293 4.0293 4.0293 4.0293 6.4504 6.4504 6.4504 6.4504 7.3015 7.3015 7.3015 7.3015 8.3771 8.3771 k = 0.0152 0.5000 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8210 -9.8210 -9.8207 -9.8207 -9.5751 -9.5751 -9.5723 -9.5723 -9.5157 -9.5157 -9.5132 -9.5132 -3.6843 -3.6843 -3.6843 -3.6843 1.1932 1.1932 1.1959 1.1959 3.6648 3.6648 3.6901 3.6901 4.0144 4.0144 4.0341 4.0341 6.4532 6.4532 6.4589 6.4589 7.3072 7.3072 7.3075 7.3075 8.3686 8.3686 k = 0.0303 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8212 -9.8212 -9.8206 -9.8206 -9.5764 -9.5764 -9.5709 -9.5709 -9.5171 -9.5171 -9.5122 -9.5122 -3.6830 -3.6830 -3.6828 -3.6828 1.1936 1.1936 1.1990 1.1990 3.6432 3.6432 3.6948 3.6948 3.9894 3.9894 4.0299 4.0299 6.4671 6.4671 6.4782 6.4782 7.3246 7.3246 7.3253 7.3253 8.3489 8.3489 k = 0.0455 0.5000 0.2933 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8213 -9.8213 -9.8204 -9.8204 -9.5778 -9.5778 -9.5695 -9.5695 -9.5186 -9.5186 -9.5112 -9.5112 -3.6807 -3.6807 -3.6805 -3.6805 1.1952 1.1952 1.2033 1.2033 3.6149 3.6149 3.6943 3.6943 3.9551 3.9551 4.0184 4.0184 6.4908 6.4908 6.5067 6.5067 7.3538 7.3538 7.3550 7.3550 8.3196 8.3196 k = 0.0606 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8192 -37.8192 -26.1090 -26.1090 -26.1090 -26.1090 -9.8215 -9.8215 -9.8202 -9.8202 -9.5791 -9.5791 -9.5681 -9.5681 -9.5202 -9.5202 -9.5103 -9.5103 -3.6775 -3.6775 -3.6772 -3.6772 1.1979 1.1979 1.2088 1.2088 3.5792 3.5792 3.6881 3.6881 3.9135 3.9135 4.0016 4.0016 6.5227 6.5227 6.5424 6.5424 7.3947 7.3947 7.3964 7.3964 8.2827 8.2827 k = 0.0758 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1090 -26.1090 -26.1090 -26.1090 -9.8216 -9.8216 -9.8201 -9.8201 -9.5804 -9.5804 -9.5666 -9.5666 -9.5218 -9.5218 -9.5096 -9.5096 -3.6734 -3.6734 -3.6731 -3.6731 1.2016 1.2016 1.2153 1.2153 3.5360 3.5360 3.6748 3.6748 3.8679 3.8679 3.9816 3.9816 6.5605 6.5605 6.5831 6.5831 7.4468 7.4468 7.4490 7.4490 8.2411 8.2411 k = 0.0909 0.5000 0.2933 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1089 -26.1089 -26.1089 -26.1089 -9.8217 -9.8217 -9.8199 -9.8199 -9.5816 -9.5816 -9.5652 -9.5652 -9.5236 -9.5236 -9.5089 -9.5089 -3.6685 -3.6685 -3.6681 -3.6681 1.2062 1.2062 1.2229 1.2229 3.4856 3.4856 3.6514 3.6514 3.8228 3.8228 3.9598 3.9598 6.6022 6.6022 6.6269 6.6269 7.5088 7.5088 7.5109 7.5109 8.1983 8.1983 k = 0.1061 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8260 -37.8260 -37.8192 -37.8192 -37.8192 -37.8192 -26.1089 -26.1089 -26.1089 -26.1089 -9.8218 -9.8218 -9.8198 -9.8198 -9.5828 -9.5828 -9.5638 -9.5638 -9.5254 -9.5254 -9.5084 -9.5084 -3.6627 -3.6627 -3.6623 -3.6623 1.2116 1.2116 1.2313 1.2313 3.4287 3.4287 3.6149 3.6149 3.7833 3.7833 3.9374 3.9374 6.6461 6.6461 6.6720 6.6720 7.5781 7.5781 7.5784 7.5784 8.1593 8.1593 k = 0.1212 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8261 -37.8261 -37.8261 -37.8261 -37.8192 -37.8192 -37.8191 -37.8191 -26.1089 -26.1089 -26.1089 -26.1089 -9.8220 -9.8220 -9.8197 -9.8197 -9.5839 -9.5839 -9.5625 -9.5625 -9.5273 -9.5273 -9.5080 -9.5080 -3.6562 -3.6562 -3.6557 -3.6557 1.2177 1.2177 1.2405 1.2405 3.3665 3.3665 3.5646 3.5646 3.7516 3.7516 3.9147 3.9147 6.6909 6.6909 6.7174 6.7174 7.6440 7.6440 7.6490 7.6490 8.1318 8.1318 k = 0.1364 0.5000 0.2933 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8262 -37.8262 -37.8261 -37.8261 -37.8191 -37.8191 -37.8191 -37.8191 -26.1088 -26.1088 -26.1088 -26.1088 -9.8221 -9.8221 -9.8196 -9.8196 -9.5850 -9.5850 -9.5611 -9.5611 -9.5292 -9.5292 -9.5077 -9.5077 -3.6489 -3.6489 -3.6484 -3.6484 1.2243 1.2243 1.2503 1.2503 3.3004 3.3004 3.5043 3.5043 3.7257 3.7257 3.8918 3.8918 6.7360 6.7360 6.7625 6.7625 7.6948 7.6948 7.7110 7.7110 8.1280 8.1280 k = 0.1515 0.5000 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8262 -37.8262 -37.8261 -37.8261 -37.8191 -37.8191 -37.8191 -37.8191 -26.1088 -26.1088 -26.1088 -26.1088 -9.8222 -9.8222 -9.8195 -9.8195 -9.5860 -9.5860 -9.5597 -9.5597 -9.5311 -9.5311 -9.5075 -9.5075 -3.6409 -3.6409 -3.6403 -3.6403 1.2312 1.2312 1.2606 1.2606 3.2318 3.2318 3.4382 3.4382 3.7026 3.7026 3.8687 3.8687 6.7809 6.7809 6.8073 6.8073 7.7172 7.7172 7.7494 7.7494 8.1481 8.1481 k = 0.1667 0.5000 0.2933 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8262 -37.8262 -37.8262 -37.8262 -37.8190 -37.8190 -37.8190 -37.8190 -26.1088 -26.1088 -26.1088 -26.1088 -9.8223 -9.8223 -9.8194 -9.8194 -9.5869 -9.5869 -9.5584 -9.5584 -9.5331 -9.5331 -9.5074 -9.5074 -3.6323 -3.6323 -3.6317 -3.6317 1.2383 1.2383 1.2710 1.2710 3.1622 3.1622 3.3698 3.3698 3.6802 3.6802 3.8451 3.8451 6.8256 6.8256 6.8516 6.8516 7.7099 7.7099 7.7562 7.7562 8.1982 8.1982 k = 0.1818 0.5000 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8263 -37.8263 -37.8262 -37.8262 -37.8190 -37.8190 -37.8190 -37.8190 -26.1087 -26.1087 -26.1087 -26.1087 -9.8224 -9.8224 -9.8194 -9.8194 -9.5877 -9.5877 -9.5571 -9.5571 -9.5351 -9.5351 -9.5075 -9.5075 -3.6232 -3.6232 -3.6225 -3.6225 1.2453 1.2453 1.2814 1.2814 3.0930 3.0930 3.3014 3.3014 3.6572 3.6572 3.8207 3.8207 6.8701 6.8701 6.8957 6.8957 7.6835 7.6835 7.7390 7.7390 8.2710 8.2710 k = 0.1970 0.5000 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8263 -37.8263 -37.8263 -37.8263 -37.8190 -37.8190 -37.8189 -37.8189 -26.1087 -26.1087 -26.1087 -26.1087 -9.8225 -9.8225 -9.8194 -9.8194 -9.5884 -9.5884 -9.5558 -9.5558 -9.5372 -9.5372 -9.5076 -9.5076 -3.6135 -3.6135 -3.6128 -3.6128 1.2519 1.2519 1.2914 1.2914 3.0253 3.0253 3.2346 3.2346 3.6330 3.6330 3.7953 3.7953 6.9143 6.9143 6.9397 6.9397 7.6483 7.6483 7.7099 7.7099 8.3473 8.3473 k = 0.2121 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8263 -37.8263 -37.8189 -37.8189 -37.8189 -37.8189 -26.1086 -26.1086 -26.1086 -26.1086 -9.8226 -9.8226 -9.8194 -9.8194 -9.5890 -9.5890 -9.5546 -9.5546 -9.5391 -9.5391 -9.5078 -9.5078 -3.6034 -3.6034 -3.6027 -3.6027 1.2580 1.2580 1.3008 1.3008 2.9603 2.9603 3.1706 3.1706 3.6072 3.6072 3.7686 3.7686 6.9584 6.9584 6.9835 6.9835 7.6104 7.6104 7.6765 7.6765 8.4100 8.4100 k = 0.2273 0.5000 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8264 -37.8264 -37.8189 -37.8189 -37.8188 -37.8188 -26.1086 -26.1086 -26.1086 -26.1086 -9.8227 -9.8227 -9.8194 -9.8194 -9.5896 -9.5896 -9.5535 -9.5535 -9.5410 -9.5410 -9.5082 -9.5082 -3.5930 -3.5930 -3.5923 -3.5923 1.2632 1.2632 1.3092 1.3092 2.8990 2.8990 3.1106 3.1106 3.5796 3.5796 3.7405 3.7405 7.0021 7.0021 7.0271 7.0271 7.5734 7.5734 7.6432 7.6432 8.4476 8.4476 k = 0.2424 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8264 -37.8264 -37.8264 -37.8264 -37.8188 -37.8188 -37.8188 -37.8188 -26.1085 -26.1085 -26.1085 -26.1085 -9.8228 -9.8228 -9.8195 -9.8195 -9.5900 -9.5900 -9.5526 -9.5526 -9.5427 -9.5427 -9.5086 -9.5086 -3.5824 -3.5824 -3.5816 -3.5816 1.2675 1.2675 1.3163 1.3163 2.8423 2.8423 3.0551 3.0551 3.5502 3.5502 3.7109 3.7109 7.0451 7.0451 7.0700 7.0700 7.5396 7.5396 7.6125 7.6125 8.4569 8.4569 k = 0.2576 0.5000 0.2933 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8265 -37.8265 -37.8264 -37.8264 -37.8188 -37.8188 -37.8187 -37.8187 -26.1085 -26.1085 -26.1085 -26.1085 -9.8229 -9.8229 -9.8196 -9.8196 -9.5902 -9.5902 -9.5521 -9.5521 -9.5440 -9.5440 -9.5091 -9.5091 -3.5715 -3.5715 -3.5708 -3.5708 1.2704 1.2704 1.3218 1.3218 2.7909 2.7909 3.0051 3.0051 3.5189 3.5189 3.6796 3.6796 7.0868 7.0868 7.1115 7.1115 7.5107 7.5107 7.5862 7.5862 8.4425 8.4425 k = 0.2727 0.5000 0.2933 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8265 -37.8265 -37.8265 -37.8265 -37.8187 -37.8187 -37.8187 -37.8187 -26.1084 -26.1084 -26.1084 -26.1084 -9.8231 -9.8231 -9.8197 -9.8197 -9.5904 -9.5904 -9.5523 -9.5523 -9.5446 -9.5446 -9.5097 -9.5097 -3.5606 -3.5606 -3.5599 -3.5599 1.2720 1.2720 1.3253 1.3253 2.7457 2.7457 2.9609 2.9609 3.4857 3.4857 3.6467 3.6467 7.1264 7.1264 7.1503 7.1503 7.4886 7.4886 7.5659 7.5659 8.4119 8.4119 k = 0.2879 0.5000 0.2933 ( 9792 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8266 -37.8266 -37.8265 -37.8265 -37.8187 -37.8187 -37.8187 -37.8187 -26.1084 -26.1084 -26.1084 -26.1084 -9.8232 -9.8232 -9.8199 -9.8199 -9.5904 -9.5904 -9.5532 -9.5532 -9.5444 -9.5444 -9.5104 -9.5104 -3.5497 -3.5497 -3.5490 -3.5490 1.2720 1.2720 1.3265 1.3265 2.7071 2.7071 2.9230 2.9230 3.4507 3.4507 3.6122 3.6122 7.1626 7.1626 7.1846 7.1846 7.4755 7.4755 7.5530 7.5530 8.3716 8.3716 k = 0.3030 0.5000 0.2933 ( 9796 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1107 -38.1107 -37.8266 -37.8266 -37.8266 -37.8266 -37.8186 -37.8186 -37.8186 -37.8186 -26.1083 -26.1083 -26.1083 -26.1083 -9.8232 -9.8232 -9.8201 -9.8201 -9.5903 -9.5903 -9.5547 -9.5547 -9.5437 -9.5437 -9.5112 -9.5112 -3.5390 -3.5390 -3.5383 -3.5383 1.2704 1.2704 1.3254 1.3254 2.6756 2.6756 2.8916 2.8916 3.4141 3.4141 3.5761 3.5761 7.1940 7.1940 7.2120 7.2120 7.4736 7.4736 7.5489 7.5489 8.3262 8.3262 k = 0.3182 0.5000 0.2933 ( 9796 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8266 -37.8266 -37.8266 -37.8266 -37.8186 -37.8186 -37.8186 -37.8186 -26.1083 -26.1083 -26.1083 -26.1083 -9.8233 -9.8233 -9.8203 -9.8203 -9.5901 -9.5901 -9.5565 -9.5565 -9.5427 -9.5427 -9.5120 -9.5120 -3.5285 -3.5285 -3.5278 -3.5278 1.2673 1.2673 1.3220 1.3220 2.6514 2.6514 2.8669 2.8669 3.3760 3.3760 3.5386 3.5386 7.2195 7.2195 7.2309 7.2309 7.4842 7.4842 7.5543 7.5543 8.2789 8.2789 k = 0.3333 0.5000 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8266 -37.8266 -37.8186 -37.8186 -37.8186 -37.8186 -26.1082 -26.1082 -26.1082 -26.1082 -9.8234 -9.8234 -9.8205 -9.8205 -9.5898 -9.5898 -9.5584 -9.5584 -9.5415 -9.5415 -9.5129 -9.5129 -3.5184 -3.5184 -3.5177 -3.5177 1.2629 1.2629 1.3162 1.3162 2.6346 2.6346 2.8488 2.8488 3.3366 3.3366 3.4998 3.4998 7.2385 7.2385 7.2418 7.2418 7.5061 7.5061 7.5691 7.5691 8.2319 8.2319 k = 0.3485 0.5000 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8267 -37.8267 -37.8185 -37.8185 -37.8185 -37.8185 -26.1082 -26.1082 -26.1082 -26.1082 -9.8235 -9.8235 -9.8208 -9.8208 -9.5893 -9.5893 -9.5604 -9.5604 -9.5402 -9.5402 -9.5139 -9.5139 -3.5087 -3.5087 -3.5081 -3.5081 1.2572 1.2572 1.3083 1.3083 2.6252 2.6252 2.8372 2.8372 3.2961 3.2961 3.4598 3.4598 7.2472 7.2472 7.2520 7.2520 7.5361 7.5361 7.5915 7.5915 8.1871 8.1871 k = 0.3636 0.5000 0.2933 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8267 -37.8267 -37.8267 -37.8267 -37.8185 -37.8185 -37.8185 -37.8185 -26.1082 -26.1082 -26.1082 -26.1082 -9.8235 -9.8235 -9.8210 -9.8210 -9.5887 -9.5887 -9.5624 -9.5624 -9.5389 -9.5389 -9.5149 -9.5149 -3.4995 -3.4995 -3.4990 -3.4990 1.2508 1.2508 1.2988 1.2988 2.6227 2.6227 2.8318 2.8318 3.2549 3.2549 3.4190 3.4190 7.2500 7.2500 7.2612 7.2612 7.5700 7.5700 7.6187 7.6187 8.1464 8.1464 k = 0.3788 0.5000 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8267 -37.8267 -37.8185 -37.8185 -37.8185 -37.8185 -26.1081 -26.1081 -26.1081 -26.1081 -9.8236 -9.8236 -9.8213 -9.8213 -9.5880 -9.5880 -9.5643 -9.5643 -9.5375 -9.5375 -9.5160 -9.5160 -3.4910 -3.4910 -3.4905 -3.4905 1.2438 1.2438 1.2880 1.2880 2.6268 2.6268 2.8320 2.8320 3.2134 3.2134 3.3775 3.3775 7.2522 7.2522 7.2679 7.2679 7.6042 7.6042 7.6471 7.6471 8.1113 8.1113 k = 0.3939 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8185 -37.8185 -37.8184 -37.8184 -26.1081 -26.1081 -26.1081 -26.1081 -9.8236 -9.8236 -9.8215 -9.8215 -9.5872 -9.5872 -9.5663 -9.5663 -9.5361 -9.5361 -9.5172 -9.5172 -3.4832 -3.4832 -3.4828 -3.4828 1.2368 1.2368 1.2765 1.2765 2.6369 2.6369 2.8371 2.8371 3.1722 3.1722 3.3356 3.3356 7.2548 7.2548 7.2731 7.2731 7.6357 7.6357 7.6733 7.6733 8.0840 8.0840 k = 0.4091 0.5000 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1081 -26.1081 -26.1081 -26.1081 -9.8236 -9.8236 -9.8218 -9.8218 -9.5863 -9.5863 -9.5682 -9.5682 -9.5347 -9.5347 -9.5184 -9.5184 -3.4763 -3.4763 -3.4759 -3.4759 1.2300 1.2300 1.2649 1.2649 2.6525 2.6525 2.8461 2.8461 3.1319 3.1319 3.2936 3.2936 7.2585 7.2585 7.2777 7.2777 7.6620 7.6620 7.6939 7.6939 8.0661 8.0661 k = 0.4242 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8268 -37.8268 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8236 -9.8236 -9.8221 -9.8221 -9.5852 -9.5852 -9.5701 -9.5701 -9.5333 -9.5333 -9.5196 -9.5196 -3.4703 -3.4703 -3.4700 -3.4700 1.2241 1.2241 1.2535 1.2535 2.6729 2.6729 2.8575 2.8575 3.0942 3.0942 3.2519 3.2519 7.2632 7.2632 7.2819 7.2819 7.6814 7.6814 7.7069 7.7069 8.0584 8.0584 k = 0.4394 0.5000 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8235 -9.8235 -9.8223 -9.8223 -9.5841 -9.5841 -9.5719 -9.5719 -9.5319 -9.5319 -9.5209 -9.5209 -3.4653 -3.4653 -3.4650 -3.4650 1.2191 1.2191 1.2430 1.2430 2.6973 2.6973 2.8683 2.8683 3.0616 3.0616 3.2109 3.2109 7.2686 7.2686 7.2855 7.2855 7.6935 7.6935 7.7124 7.7124 8.0599 8.0599 k = 0.4545 0.5000 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8235 -9.8235 -9.8225 -9.8225 -9.5828 -9.5828 -9.5736 -9.5736 -9.5305 -9.5305 -9.5222 -9.5222 -3.4613 -3.4613 -3.4611 -3.4611 1.2157 1.2157 1.2337 1.2337 2.7250 2.7250 2.8733 2.8733 3.0392 3.0392 3.1712 3.1712 7.2744 7.2744 7.2882 7.2882 7.6995 7.6995 7.7122 7.7122 8.0674 8.0674 k = 0.4697 0.5000 0.2933 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8234 -9.8234 -9.8228 -9.8228 -9.5815 -9.5815 -9.5754 -9.5754 -9.5291 -9.5291 -9.5235 -9.5235 -3.4584 -3.4584 -3.4583 -3.4583 1.2139 1.2139 1.2259 1.2259 2.7552 2.7552 2.8664 2.8664 3.0331 3.0331 3.1333 3.1333 7.2800 7.2800 7.2898 7.2898 7.7017 7.7017 7.7092 7.7092 8.0770 8.0770 k = 0.4848 0.5000 0.2933 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8233 -9.8233 -9.8229 -9.8229 -9.5801 -9.5801 -9.5770 -9.5770 -9.5277 -9.5277 -9.5249 -9.5249 -3.4566 -3.4566 -3.4566 -3.4566 1.2139 1.2139 1.2200 1.2200 2.7868 2.7868 2.8463 2.8463 3.0443 3.0443 3.0983 3.0983 7.2847 7.2847 7.2898 7.2898 7.7024 7.7024 7.7058 7.7058 8.0853 8.0853 k = 0.5000 0.5000 0.2933 ( 9856 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5263 -9.5263 -9.5263 -9.5263 -3.4560 -3.4560 -3.4560 -3.4560 1.2159 1.2159 1.2159 1.2159 2.8181 2.8181 2.8181 2.8181 3.0677 3.0677 3.0677 3.0677 7.2881 7.2881 7.2881 7.2881 7.7034 7.7034 7.7034 7.7034 8.0902 8.0902 k = 0.5000 0.5000 0.2933 ( 9856 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5263 -9.5263 -9.5263 -9.5263 -3.4560 -3.4560 -3.4560 -3.4560 1.2159 1.2159 1.2159 1.2159 2.8181 2.8181 2.8181 2.8181 3.0677 3.0677 3.0677 3.0677 7.2881 7.2881 7.2881 7.2881 7.7034 7.7034 7.7034 7.7034 8.0902 8.0902 k = 0.4894 0.4894 0.2933 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8233 -9.8233 -9.8229 -9.8229 -9.5801 -9.5801 -9.5770 -9.5770 -9.5276 -9.5276 -9.5249 -9.5249 -3.4572 -3.4572 -3.4560 -3.4560 1.2139 1.2139 1.2200 1.2200 2.7864 2.7864 2.8469 2.8469 3.0438 3.0438 3.0985 3.0985 7.2847 7.2847 7.2898 7.2898 7.7025 7.7025 7.7057 7.7057 8.0843 8.0843 k = 0.4787 0.4787 0.2933 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1079 -26.1079 -9.8234 -9.8234 -9.8227 -9.8227 -9.5815 -9.5815 -9.5754 -9.5754 -9.5290 -9.5290 -9.5235 -9.5235 -3.4606 -3.4606 -3.4560 -3.4560 1.2138 1.2138 1.2260 1.2260 2.7516 2.7516 2.8738 2.8738 3.0269 3.0269 3.1353 3.1353 7.2795 7.2795 7.2898 7.2898 7.7031 7.7031 7.7096 7.7096 8.0705 8.0705 k = 0.4681 0.4681 0.2933 ( 9814 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8184 -37.8184 -37.8184 -37.8184 -26.1081 -26.1081 -26.1079 -26.1079 -9.8235 -9.8235 -9.8225 -9.8225 -9.5828 -9.5828 -9.5737 -9.5737 -9.5304 -9.5304 -9.5222 -9.5222 -3.4663 -3.4663 -3.4559 -3.4559 1.2155 1.2155 1.2342 1.2342 2.7142 2.7142 2.8998 2.8998 3.0165 3.0165 3.1771 3.1771 7.2719 7.2719 7.2878 7.2878 7.7057 7.7057 7.7155 7.7155 8.0498 8.0498 k = 0.4574 0.4574 0.2933 ( 9818 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8268 -37.8268 -37.8185 -37.8185 -37.8184 -37.8184 -26.1081 -26.1081 -26.1079 -26.1079 -9.8237 -9.8237 -9.8222 -9.8222 -9.5840 -9.5840 -9.5719 -9.5719 -9.5318 -9.5318 -9.5209 -9.5209 -3.4743 -3.4743 -3.4559 -3.4559 1.2191 1.2191 1.2447 1.2447 2.6748 2.6748 2.9261 2.9261 3.0118 3.0118 3.2227 3.2227 7.2612 7.2612 7.2839 7.2839 7.7107 7.7107 7.7242 7.7242 8.0245 8.0245 k = 0.4468 0.4468 0.2933 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1107 -38.1107 -37.8269 -37.8269 -37.8268 -37.8268 -37.8185 -37.8185 -37.8183 -37.8183 -26.1082 -26.1082 -26.1078 -26.1078 -9.8238 -9.8238 -9.8218 -9.8218 -9.5852 -9.5852 -9.5702 -9.5702 -9.5332 -9.5332 -9.5196 -9.5196 -3.4844 -3.4844 -3.4559 -3.4559 1.2245 1.2245 1.2574 1.2574 2.6343 2.6343 2.9534 2.9534 3.0119 3.0119 3.2709 3.2709 7.2464 7.2464 7.2783 7.2783 7.7181 7.7181 7.7371 7.7371 7.9973 7.9973 k = 0.4362 0.4362 0.2933 ( 9816 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1107 -38.1107 -37.8269 -37.8269 -37.8268 -37.8268 -37.8186 -37.8186 -37.8183 -37.8183 -26.1083 -26.1083 -26.1078 -26.1078 -9.8240 -9.8240 -9.8214 -9.8214 -9.5862 -9.5862 -9.5683 -9.5683 -9.5346 -9.5346 -9.5184 -9.5184 -3.4967 -3.4967 -3.4559 -3.4559 1.2317 1.2317 1.2724 1.2724 2.5934 2.5934 2.9821 2.9821 3.0161 3.0161 3.3211 3.3211 7.2269 7.2269 7.2714 7.2714 7.7274 7.7274 7.7557 7.7557 7.9707 7.9707 k = 0.4255 0.4255 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1107 -38.1107 -37.8269 -37.8269 -37.8267 -37.8267 -37.8186 -37.8186 -37.8183 -37.8183 -26.1085 -26.1085 -26.1077 -26.1077 -9.8242 -9.8242 -9.8209 -9.8209 -9.5871 -9.5871 -9.5665 -9.5665 -9.5360 -9.5360 -9.5172 -9.5172 -3.5110 -3.5110 -3.4560 -3.4560 1.2408 1.2408 1.2898 1.2898 2.5528 2.5528 3.0117 3.0117 3.0246 3.0246 3.3727 3.3727 7.2026 7.2026 7.2635 7.2635 7.7380 7.7380 7.7811 7.7811 7.9467 7.9467 k = 0.4149 0.4149 0.2933 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1109 -38.1109 -38.1106 -38.1106 -37.8269 -37.8269 -37.8267 -37.8267 -37.8187 -37.8187 -37.8183 -37.8183 -26.1086 -26.1086 -26.1076 -26.1076 -9.8244 -9.8244 -9.8203 -9.8203 -9.5879 -9.5879 -9.5646 -9.5646 -9.5373 -9.5373 -9.5161 -9.5161 -3.5273 -3.5273 -3.4561 -3.4561 1.2517 1.2517 1.3096 1.3096 2.5131 2.5131 3.0318 3.0318 3.0474 3.0474 3.4251 3.4251 7.1739 7.1739 7.2551 7.2551 7.7499 7.7499 7.8130 7.8130 7.9271 7.9271 k = 0.4043 0.4043 0.2933 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1106 -38.1106 -37.8268 -37.8268 -37.8266 -37.8266 -37.8188 -37.8188 -37.8182 -37.8182 -26.1088 -26.1088 -26.1075 -26.1075 -9.8246 -9.8246 -9.8196 -9.8196 -9.5886 -9.5886 -9.5628 -9.5628 -9.5386 -9.5386 -9.5150 -9.5150 -3.5454 -3.5454 -3.4564 -3.4564 1.2645 1.2645 1.3318 1.3318 2.4745 2.4745 3.0455 3.0455 3.0807 3.0807 3.4780 3.4780 7.1416 7.1416 7.2468 7.2468 7.7632 7.7632 7.8501 7.8501 7.9141 7.9141 k = 0.3936 0.3936 0.2933 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1106 -38.1106 -37.8268 -37.8268 -37.8266 -37.8266 -37.8189 -37.8189 -37.8182 -37.8182 -26.1089 -26.1089 -26.1075 -26.1075 -9.8248 -9.8248 -9.8189 -9.8189 -9.5892 -9.5892 -9.5609 -9.5609 -9.5398 -9.5398 -9.5139 -9.5139 -3.5652 -3.5652 -3.4568 -3.4568 1.2792 1.2792 1.3563 1.3563 2.4374 2.4374 3.0610 3.0610 3.1161 3.1161 3.5311 3.5311 7.1067 7.1067 7.2395 7.2395 7.7777 7.7777 7.8822 7.8822 7.9181 7.9181 k = 0.3830 0.3830 0.2933 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1110 -38.1110 -38.1105 -38.1105 -37.8268 -37.8268 -37.8265 -37.8265 -37.8190 -37.8190 -37.8181 -37.8181 -26.1091 -26.1091 -26.1073 -26.1073 -9.8251 -9.8251 -9.8181 -9.8181 -9.5896 -9.5896 -9.5592 -9.5592 -9.5409 -9.5409 -9.5129 -9.5129 -3.5867 -3.5867 -3.4573 -3.4573 1.2958 1.2958 1.3833 1.3833 2.4022 2.4022 3.0785 3.0785 3.1527 3.1527 3.5840 3.5840 7.0701 7.0701 7.2341 7.2341 7.7936 7.7936 7.8891 7.8891 7.9588 7.9588 k = 0.3723 0.3723 0.2933 ( 9802 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1104 -38.1104 -37.8268 -37.8268 -37.8265 -37.8265 -37.8191 -37.8191 -37.8181 -37.8181 -26.1094 -26.1094 -26.1072 -26.1072 -9.8254 -9.8254 -9.8172 -9.8172 -9.5899 -9.5899 -9.5575 -9.5575 -9.5419 -9.5419 -9.5120 -9.5120 -3.6096 -3.6096 -3.4581 -3.4581 1.3143 1.3143 1.4127 1.4127 2.3691 2.3691 3.0979 3.0979 3.1901 3.1901 3.6365 3.6365 7.0328 7.0328 7.2317 7.2317 7.8108 7.8108 7.8922 7.8922 8.0139 8.0139 k = 0.3617 0.3617 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1700 -71.1700 -38.1111 -38.1111 -38.1104 -38.1104 -37.8268 -37.8268 -37.8264 -37.8264 -37.8192 -37.8192 -37.8180 -37.8180 -26.1096 -26.1096 -26.1071 -26.1071 -9.8257 -9.8257 -9.8163 -9.8163 -9.5901 -9.5901 -9.5560 -9.5560 -9.5427 -9.5427 -9.5111 -9.5111 -3.6339 -3.6339 -3.4591 -3.4591 1.3346 1.3346 1.4444 1.4444 2.3383 2.3383 3.1192 3.1192 3.2281 3.2281 3.6883 3.6883 6.9957 6.9957 7.2333 7.2333 7.8291 7.8291 7.8990 7.8990 8.0751 8.0751 k = 0.3511 0.3511 0.2933 ( 9812 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1103 -38.1103 -37.8268 -37.8268 -37.8264 -37.8264 -37.8194 -37.8194 -37.8180 -37.8180 -26.1098 -26.1098 -26.1070 -26.1070 -9.8260 -9.8260 -9.8153 -9.8153 -9.5902 -9.5902 -9.5548 -9.5548 -9.5432 -9.5432 -9.5102 -9.5102 -3.6594 -3.6594 -3.4603 -3.4603 1.3565 1.3565 1.4785 1.4785 2.3100 2.3100 3.1422 3.1422 3.2663 3.2663 3.7390 3.7390 6.9596 6.9596 7.2401 7.2401 7.8487 7.8487 7.9101 7.9101 8.1403 8.1403 k = 0.3404 0.3404 0.2933 ( 9816 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1112 -38.1112 -38.1103 -38.1103 -37.8268 -37.8268 -37.8263 -37.8263 -37.8195 -37.8195 -37.8179 -37.8179 -26.1101 -26.1101 -26.1069 -26.1069 -9.8263 -9.8263 -9.8142 -9.8142 -9.5901 -9.5901 -9.5540 -9.5540 -9.5432 -9.5432 -9.5095 -9.5095 -3.6860 -3.6860 -3.4619 -3.4619 1.3801 1.3801 1.5149 1.5149 2.2844 2.2844 3.1666 3.1666 3.3045 3.3045 3.7885 3.7885 6.9253 6.9253 7.2528 7.2528 7.8693 7.8693 7.9252 7.9252 8.2070 8.2070 k = 0.3298 0.3298 0.2933 ( 9820 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1113 -38.1113 -38.1102 -38.1102 -37.8268 -37.8268 -37.8262 -37.8262 -37.8197 -37.8197 -37.8178 -37.8178 -26.1103 -26.1103 -26.1067 -26.1067 -9.8266 -9.8266 -9.8130 -9.8130 -9.5900 -9.5900 -9.5537 -9.5537 -9.5427 -9.5427 -9.5088 -9.5088 -3.7135 -3.7135 -3.4637 -3.4637 1.4050 1.4050 1.5535 1.5535 2.2618 2.2618 3.1925 3.1925 3.3426 3.3426 3.8362 3.8362 6.8934 6.8934 7.2724 7.2724 7.8907 7.8907 7.9441 7.9441 8.2650 8.2650 k = 0.3191 0.3191 0.2933 ( 9824 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1102 -38.1102 -37.8267 -37.8267 -37.8262 -37.8262 -37.8198 -37.8198 -37.8178 -37.8178 -26.1106 -26.1106 -26.1066 -26.1066 -9.8269 -9.8269 -9.8118 -9.8118 -9.5897 -9.5897 -9.5538 -9.5538 -9.5418 -9.5418 -9.5081 -9.5081 -3.7418 -3.7418 -3.4659 -3.4659 1.4313 1.4313 1.5943 1.5943 2.2423 2.2423 3.2197 3.2197 3.3805 3.3805 3.8819 3.8819 6.8645 6.8645 7.2995 7.2995 7.9129 7.9129 7.9663 7.9663 8.3018 8.3018 k = 0.3085 0.3085 0.2933 ( 9820 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1114 -38.1114 -38.1101 -38.1101 -37.8267 -37.8267 -37.8261 -37.8261 -37.8200 -37.8200 -37.8177 -37.8177 -26.1109 -26.1109 -26.1064 -26.1064 -9.8272 -9.8272 -9.8105 -9.8105 -9.5893 -9.5893 -9.5543 -9.5543 -9.5404 -9.5404 -9.5075 -9.5075 -3.7707 -3.7707 -3.4684 -3.4684 1.4585 1.4585 1.6372 1.6372 2.2261 2.2261 3.2480 3.2480 3.4184 3.4184 3.9252 3.9252 6.8394 6.8394 7.3346 7.3346 7.9355 7.9355 7.9914 7.9914 8.3314 8.3314 k = 0.2979 0.2979 0.2933 ( 9826 PWs) bands (ev): -71.1702 -71.1702 -71.1700 -71.1700 -38.1115 -38.1115 -38.1100 -38.1100 -37.8267 -37.8267 -37.8260 -37.8260 -37.8201 -37.8201 -37.8176 -37.8176 -26.1112 -26.1112 -26.1063 -26.1063 -9.8276 -9.8276 -9.8092 -9.8092 -9.5888 -9.5888 -9.5550 -9.5550 -9.5389 -9.5389 -9.5070 -9.5070 -3.8000 -3.8000 -3.4714 -3.4714 1.4865 1.4865 1.6822 1.6822 2.2133 2.2133 3.2772 3.2772 3.4562 3.4562 3.9656 3.9656 6.8186 6.8186 7.3779 7.3779 7.9581 7.9581 8.0192 8.0192 8.3603 8.3603 k = 0.2872 0.2872 0.2933 ( 9830 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1116 -38.1116 -38.1100 -38.1100 -37.8267 -37.8267 -37.8260 -37.8260 -37.8203 -37.8203 -37.8175 -37.8175 -26.1115 -26.1115 -26.1061 -26.1061 -9.8279 -9.8279 -9.8078 -9.8078 -9.5881 -9.5881 -9.5558 -9.5558 -9.5372 -9.5372 -9.5065 -9.5065 -3.8297 -3.8297 -3.4747 -3.4747 1.5150 1.5150 1.7290 1.7290 2.2041 2.2041 3.3073 3.3073 3.4943 3.4943 4.0028 4.0028 6.8025 6.8025 7.4298 7.4298 7.9803 7.9803 8.0492 8.0492 8.3893 8.3893 k = 0.2766 0.2766 0.2933 ( 9834 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1116 -38.1116 -38.1099 -38.1099 -37.8267 -37.8267 -37.8259 -37.8259 -37.8204 -37.8204 -37.8174 -37.8174 -26.1118 -26.1118 -26.1060 -26.1060 -9.8282 -9.8282 -9.8063 -9.8063 -9.5874 -9.5874 -9.5566 -9.5566 -9.5355 -9.5355 -9.5060 -9.5060 -3.8596 -3.8596 -3.4784 -3.4784 1.5437 1.5437 1.7777 1.7777 2.1988 2.1988 3.3381 3.3381 3.5328 3.5328 4.0363 4.0363 6.7917 6.7917 7.4902 7.4902 8.0014 8.0014 8.0809 8.0809 8.4174 8.4174 k = 0.2660 0.2660 0.2933 ( 9828 PWs) bands (ev): -71.1702 -71.1702 -71.1699 -71.1699 -38.1117 -38.1117 -38.1098 -38.1098 -37.8267 -37.8267 -37.8258 -37.8258 -37.8206 -37.8206 -37.8173 -37.8173 -26.1121 -26.1121 -26.1058 -26.1058 -9.8285 -9.8285 -9.8048 -9.8048 -9.5866 -9.5866 -9.5575 -9.5575 -9.5338 -9.5338 -9.5057 -9.5057 -3.8896 -3.8896 -3.4824 -3.4824 1.5723 1.5723 1.8279 1.8279 2.1975 2.1975 3.3695 3.3695 3.5722 3.5722 4.0657 4.0657 6.7866 6.7866 7.5590 7.5590 8.0205 8.0205 8.1138 8.1138 8.4402 8.4402 k = 0.2553 0.2553 0.2933 ( 9824 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1097 -38.1097 -37.8267 -37.8267 -37.8258 -37.8258 -37.8208 -37.8208 -37.8172 -37.8172 -26.1124 -26.1124 -26.1056 -26.1056 -9.8288 -9.8288 -9.8033 -9.8033 -9.5858 -9.5858 -9.5584 -9.5584 -9.5321 -9.5321 -9.5053 -9.5053 -3.9195 -3.9195 -3.4869 -3.4869 1.6004 1.6004 1.8794 1.8794 2.2005 2.2005 3.4015 3.4015 3.6125 3.6125 4.0907 4.0907 6.7874 6.7874 7.6361 7.6361 8.0366 8.0366 8.1465 8.1465 8.4164 8.4164 k = 0.2447 0.2447 0.2933 ( 9830 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1118 -38.1118 -38.1097 -38.1097 -37.8267 -37.8267 -37.8257 -37.8257 -37.8209 -37.8209 -37.8171 -37.8171 -26.1127 -26.1127 -26.1055 -26.1055 -9.8291 -9.8291 -9.8017 -9.8017 -9.5848 -9.5848 -9.5592 -9.5592 -9.5304 -9.5304 -9.5050 -9.5050 -3.9491 -3.9491 -3.4917 -3.4917 1.6277 1.6277 1.9319 1.9319 2.2082 2.2082 3.4341 3.4341 3.6542 3.6542 4.1109 4.1109 6.7945 6.7945 7.7210 7.7210 8.0480 8.0480 8.1745 8.1745 8.3031 8.3031 k = 0.2340 0.2340 0.2933 ( 9818 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1119 -38.1119 -38.1096 -38.1096 -37.8267 -37.8267 -37.8257 -37.8257 -37.8211 -37.8211 -37.8170 -37.8170 -26.1130 -26.1130 -26.1053 -26.1053 -9.8293 -9.8293 -9.8001 -9.8001 -9.5838 -9.5838 -9.5600 -9.5600 -9.5288 -9.5288 -9.5047 -9.5047 -3.9784 -3.9784 -3.4969 -3.4969 1.6539 1.6539 1.9849 1.9849 2.2210 2.2210 3.4673 3.4673 3.6973 3.6973 4.1261 4.1261 6.8079 6.8079 7.8134 7.8134 8.0529 8.0529 8.1462 8.1462 8.2287 8.2287 k = 0.2234 0.2234 0.2933 ( 9810 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1120 -38.1120 -38.1095 -38.1095 -37.8267 -37.8267 -37.8256 -37.8256 -37.8212 -37.8212 -37.8169 -37.8169 -26.1133 -26.1133 -26.1052 -26.1052 -9.8295 -9.8295 -9.7985 -9.7985 -9.5828 -9.5828 -9.5608 -9.5608 -9.5272 -9.5272 -9.5044 -9.5044 -4.0073 -4.0073 -3.5024 -3.5024 1.6787 1.6787 2.0376 2.0376 2.2395 2.2395 3.5013 3.5013 3.7421 3.7421 4.1362 4.1362 6.8273 6.8273 7.9125 7.9125 8.0292 8.0292 8.0501 8.0501 8.1747 8.1747 k = 0.2128 0.2128 0.2933 ( 9816 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1120 -38.1120 -38.1094 -38.1094 -37.8267 -37.8267 -37.8256 -37.8256 -37.8214 -37.8214 -37.8168 -37.8168 -26.1136 -26.1136 -26.1050 -26.1050 -9.8297 -9.8297 -9.7969 -9.7969 -9.5817 -9.5817 -9.5615 -9.5615 -9.5258 -9.5258 -9.5041 -9.5041 -4.0355 -4.0355 -3.5081 -3.5081 1.7019 1.7019 2.0889 2.0889 2.2647 2.2647 3.5361 3.5361 3.7883 3.7883 4.1412 4.1412 6.8525 6.8525 7.9078 7.9078 8.0162 8.0162 8.0303 8.0303 8.0382 8.0382 k = 0.2021 0.2021 0.2933 ( 9814 PWs) bands (ev): -71.1703 -71.1703 -71.1699 -71.1699 -38.1121 -38.1121 -38.1094 -38.1094 -37.8267 -37.8267 -37.8255 -37.8255 -37.8215 -37.8215 -37.8167 -37.8167 -26.1138 -26.1138 -26.1049 -26.1049 -9.8299 -9.8299 -9.7953 -9.7953 -9.5807 -9.5807 -9.5622 -9.5622 -9.5244 -9.5244 -9.5037 -9.5037 -4.0631 -4.0631 -3.5141 -3.5141 1.7232 1.7232 2.1378 2.1378 2.2976 2.2976 3.5717 3.5717 3.8360 3.8360 4.1413 4.1413 6.8825 6.8825 7.7905 7.7905 7.8771 7.8771 8.0072 8.0072 8.1305 8.1305 k = 0.1915 0.1915 0.2933 ( 9804 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1093 -38.1093 -37.8266 -37.8266 -37.8255 -37.8255 -37.8217 -37.8217 -37.8166 -37.8166 -26.1141 -26.1141 -26.1047 -26.1047 -9.8301 -9.8301 -9.7937 -9.7937 -9.5796 -9.5796 -9.5628 -9.5628 -9.5233 -9.5233 -9.5033 -9.5033 -4.0899 -4.0899 -3.5203 -3.5203 1.7426 1.7426 2.1835 2.1835 2.3385 2.3385 3.6080 3.6080 3.8847 3.8847 4.1371 4.1371 6.9158 6.9158 7.6769 7.6769 7.7276 7.7276 7.9670 7.9670 8.2460 8.2460 k = 0.1809 0.1809 0.2933 ( 9800 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1122 -38.1122 -38.1092 -38.1092 -37.8266 -37.8266 -37.8254 -37.8254 -37.8218 -37.8218 -37.8165 -37.8165 -26.1144 -26.1144 -26.1046 -26.1046 -9.8302 -9.8302 -9.7921 -9.7921 -9.5786 -9.5786 -9.5633 -9.5633 -9.5223 -9.5223 -9.5028 -9.5028 -4.1157 -4.1157 -3.5267 -3.5267 1.7599 1.7599 2.2265 2.2265 2.3870 2.3870 3.6446 3.6446 3.9338 3.9338 4.1296 4.1296 6.9498 6.9498 7.5528 7.5528 7.6016 7.6016 7.9142 7.9142 8.3422 8.3422 k = 0.1702 0.1702 0.2933 ( 9800 PWs) bands (ev): -71.1703 -71.1703 -71.1698 -71.1698 -38.1123 -38.1123 -38.1092 -38.1092 -37.8266 -37.8266 -37.8254 -37.8254 -37.8219 -37.8219 -37.8164 -37.8164 -26.1147 -26.1147 -26.1044 -26.1044 -9.8303 -9.8303 -9.7905 -9.7905 -9.5777 -9.5777 -9.5636 -9.5636 -9.5214 -9.5214 -9.5023 -9.5023 -4.1406 -4.1406 -3.5331 -3.5331 1.7750 1.7750 2.2679 2.2679 2.4415 2.4415 3.6809 3.6809 3.9812 3.9812 4.1216 4.1216 6.9797 6.9797 7.4107 7.4107 7.5124 7.5124 7.8508 7.8508 8.3281 8.3281 k = 0.1596 0.1596 0.2933 ( 9802 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1123 -38.1123 -38.1091 -38.1091 -37.8266 -37.8266 -37.8253 -37.8253 -37.8220 -37.8220 -37.8163 -37.8163 -26.1149 -26.1149 -26.1043 -26.1043 -9.8304 -9.8304 -9.7889 -9.7889 -9.5769 -9.5769 -9.5638 -9.5638 -9.5208 -9.5208 -9.5016 -9.5016 -4.1644 -4.1644 -3.5396 -3.5396 1.7881 1.7881 2.3091 2.3091 2.5002 2.5002 3.7156 3.7156 4.0207 4.0207 4.1205 4.1205 6.9970 6.9970 7.2679 7.2679 7.4513 7.4513 7.7796 7.7796 8.2945 8.2945 k = 0.1489 0.1489 0.2933 ( 9806 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8267 -37.8266 -37.8253 -37.8253 -37.8222 -37.8222 -37.8162 -37.8162 -26.1152 -26.1152 -26.1041 -26.1041 -9.8305 -9.8305 -9.7874 -9.7874 -9.5762 -9.5762 -9.5639 -9.5639 -9.5204 -9.5204 -9.5009 -9.5009 -4.1870 -4.1870 -3.5461 -3.5461 1.7992 1.7992 2.3512 2.3512 2.5616 2.5616 3.7464 3.7464 4.0397 4.0397 4.1411 4.1411 6.9913 6.9913 7.1294 7.1294 7.4239 7.4239 7.7034 7.7034 8.2428 8.2428 k = 0.1383 0.1383 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1124 -38.1124 -38.1090 -38.1090 -37.8267 -37.8267 -37.8253 -37.8253 -37.8223 -37.8223 -37.8161 -37.8161 -26.1154 -26.1154 -26.1040 -26.1040 -9.8305 -9.8305 -9.7860 -9.7860 -9.5756 -9.5756 -9.5638 -9.5638 -9.5201 -9.5201 -9.5001 -9.5001 -4.2084 -4.2084 -3.5524 -3.5524 1.8084 1.8084 2.3950 2.3950 2.6247 2.6247 3.7694 3.7694 4.0415 4.0415 4.1834 4.1834 6.9524 6.9524 7.0032 7.0032 7.4312 7.4312 7.6254 7.6254 8.1768 8.1768 k = 0.1277 0.1277 0.2933 ( 9798 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1089 -38.1089 -37.8267 -37.8267 -37.8253 -37.8253 -37.8223 -37.8223 -37.8160 -37.8160 -26.1157 -26.1157 -26.1039 -26.1039 -9.8306 -9.8306 -9.7846 -9.7846 -9.5753 -9.5753 -9.5635 -9.5635 -9.5201 -9.5201 -9.4993 -9.4993 -4.2285 -4.2285 -3.5587 -3.5587 1.8159 1.8159 2.4408 2.4408 2.6884 2.6884 3.7796 3.7796 4.0439 4.0439 4.2344 4.2344 6.8516 6.8516 6.9259 6.9259 7.4591 7.4591 7.5539 7.5539 8.1016 8.1016 k = 0.1170 0.1170 0.2933 ( 9802 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1125 -38.1125 -38.1089 -38.1089 -37.8267 -37.8267 -37.8252 -37.8252 -37.8224 -37.8224 -37.8160 -37.8160 -26.1159 -26.1159 -26.1038 -26.1038 -9.8306 -9.8306 -9.7833 -9.7833 -9.5751 -9.5751 -9.5630 -9.5630 -9.5201 -9.5201 -9.4984 -9.4984 -4.2472 -4.2472 -3.5646 -3.5646 1.8218 1.8218 2.4888 2.4888 2.7519 2.7519 3.7731 3.7731 4.0559 4.0559 4.2882 4.2882 6.7303 6.7303 6.8665 6.8665 7.4411 7.4411 7.5460 7.5460 8.0216 8.0216 k = 0.1064 0.1064 0.2933 ( 9814 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1126 -38.1126 -38.1088 -38.1088 -37.8267 -37.8267 -37.8252 -37.8252 -37.8225 -37.8225 -37.8159 -37.8159 -26.1161 -26.1161 -26.1037 -26.1037 -9.8306 -9.8306 -9.7821 -9.7821 -9.5750 -9.5750 -9.5624 -9.5624 -9.5203 -9.5203 -9.4975 -9.4975 -4.2645 -4.2645 -3.5704 -3.5704 1.8263 1.8263 2.5390 2.5390 2.8145 2.8145 3.7505 3.7505 4.0787 4.0787 4.3427 4.3427 6.6130 6.6130 6.8080 6.8080 7.3707 7.3707 7.6017 7.6017 7.9409 7.9409 k = 0.0957 0.0957 0.2933 ( 9810 PWs) bands (ev): -71.1704 -71.1704 -71.1698 -71.1698 -38.1126 -38.1126 -38.1088 -38.1088 -37.8267 -37.8267 -37.8252 -37.8252 -37.8226 -37.8226 -37.8158 -37.8158 -26.1162 -26.1162 -26.1036 -26.1036 -9.8306 -9.8306 -9.7809 -9.7809 -9.5750 -9.5750 -9.5617 -9.5617 -9.5205 -9.5205 -9.4966 -9.4966 -4.2803 -4.2803 -3.5757 -3.5757 1.8297 1.8297 2.5914 2.5914 2.8753 2.8753 3.7156 3.7156 4.1089 4.1089 4.3965 4.3965 6.5021 6.5021 6.7520 6.7520 7.2969 7.2969 7.6659 7.6659 7.8647 7.8647 k = 0.0851 0.0851 0.2933 ( 9812 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1126 -38.1126 -38.1088 -38.1088 -37.8267 -37.8267 -37.8252 -37.8252 -37.8227 -37.8227 -37.8158 -37.8158 -26.1164 -26.1164 -26.1035 -26.1035 -9.8306 -9.8306 -9.7799 -9.7799 -9.5751 -9.5751 -9.5610 -9.5610 -9.5208 -9.5208 -9.4957 -9.4957 -4.2946 -4.2946 -3.5807 -3.5807 1.8321 1.8321 2.6458 2.6458 2.9335 2.9335 3.6720 3.6720 4.1426 4.1426 4.4487 4.4487 6.3990 6.3990 6.7002 6.7002 7.2260 7.2260 7.7121 7.7121 7.8133 7.8133 k = 0.0745 0.0745 0.2933 ( 9808 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8227 -37.8227 -37.8157 -37.8157 -26.1166 -26.1166 -26.1034 -26.1034 -9.8305 -9.8305 -9.7789 -9.7789 -9.5752 -9.5752 -9.5602 -9.5602 -9.5212 -9.5212 -9.4949 -9.4949 -4.3073 -4.3073 -3.5853 -3.5853 1.8337 1.8337 2.7020 2.7020 2.9882 2.9882 3.6226 3.6226 4.1771 4.1771 4.4984 4.4984 6.3044 6.3044 6.6534 6.6534 7.1600 7.1600 7.6807 7.6807 7.8444 7.8444 k = 0.0638 0.0638 0.2933 ( 9800 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8228 -37.8228 -37.8156 -37.8156 -26.1167 -26.1167 -26.1034 -26.1034 -9.8305 -9.8305 -9.7781 -9.7781 -9.5754 -9.5754 -9.5595 -9.5595 -9.5215 -9.5215 -9.4942 -9.4942 -4.3183 -4.3183 -3.5893 -3.5893 1.8348 1.8348 2.7597 2.7597 3.0383 3.0383 3.5694 3.5694 4.2104 4.2104 4.5445 4.5445 6.2194 6.2194 6.6123 6.6123 7.1000 7.1000 7.6204 7.6204 7.9087 7.9087 k = 0.0532 0.0532 0.2933 ( 9806 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8228 -37.8228 -37.8156 -37.8156 -26.1168 -26.1168 -26.1033 -26.1033 -9.8305 -9.8305 -9.7773 -9.7773 -9.5756 -9.5756 -9.5589 -9.5589 -9.5219 -9.5219 -9.4936 -9.4936 -4.3277 -4.3277 -3.5928 -3.5928 1.8353 1.8353 2.8184 2.8184 3.0826 3.0826 3.5139 3.5139 4.2409 4.2409 4.5861 4.5861 6.1451 6.1451 6.5772 6.5772 7.0470 7.0470 7.5625 7.5625 7.9735 7.9735 k = 0.0426 0.0426 0.2933 ( 9806 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8252 -37.8252 -37.8228 -37.8228 -37.8156 -37.8156 -26.1169 -26.1169 -26.1033 -26.1033 -9.8305 -9.8305 -9.7767 -9.7767 -9.5757 -9.5757 -9.5583 -9.5583 -9.5222 -9.5222 -9.4931 -9.4931 -4.3355 -4.3355 -3.5957 -3.5957 1.8356 1.8356 2.8775 2.8775 3.1196 3.1196 3.4579 3.4579 4.2674 4.2674 4.6221 4.6221 6.0823 6.0823 6.5483 6.5483 7.0022 7.0022 7.5121 7.5121 8.0327 8.0327 k = 0.0319 0.0319 0.2933 ( 9810 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1127 -38.1127 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8156 -37.8156 -26.1170 -26.1170 -26.1032 -26.1032 -9.8305 -9.8305 -9.7763 -9.7763 -9.5758 -9.5758 -9.5578 -9.5578 -9.5224 -9.5224 -9.4926 -9.4926 -4.3415 -4.3415 -3.5980 -3.5980 1.8357 1.8357 2.9358 2.9358 3.1475 3.1475 3.4038 3.4038 4.2891 4.2891 4.6514 4.6514 6.0323 6.0323 6.5258 6.5258 6.9662 6.9662 7.4712 7.4712 8.0827 8.0827 k = 0.0213 0.0213 0.2933 ( 9816 PWs) bands (ev): -71.1704 -71.1704 -71.1697 -71.1697 -38.1128 -38.1128 -38.1086 -38.1086 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7759 -9.7759 -9.5759 -9.5759 -9.5575 -9.5575 -9.5226 -9.5226 -9.4923 -9.4923 -4.3459 -4.3459 -3.5997 -3.5997 1.8357 1.8357 2.9909 2.9909 3.1636 3.1636 3.3561 3.3561 4.3052 4.3052 4.6731 4.6731 5.9958 5.9958 6.5097 6.5097 6.9400 6.9400 7.4411 7.4411 8.1208 8.1208 k = 0.0106 0.0106 0.2933 ( 9822 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5573 -9.5573 -9.5228 -9.5228 -9.4921 -9.4921 -4.3485 -4.3485 -3.6007 -3.6007 1.8357 1.8357 3.0370 3.0370 3.1658 3.1658 3.3222 3.3222 4.3151 4.3151 4.6864 4.6864 5.9736 5.9736 6.5000 6.5000 6.9239 6.9239 7.4227 7.4227 8.1447 8.1447 k = 0.0000 0.0000 0.2933 ( 9830 PWs) bands (ev): -71.1705 -71.1705 -71.1697 -71.1697 -38.1128 -38.1128 -38.1087 -38.1087 -37.8267 -37.8267 -37.8251 -37.8251 -37.8229 -37.8229 -37.8155 -37.8155 -26.1170 -26.1170 -26.1032 -26.1032 -9.8304 -9.8304 -9.7757 -9.7757 -9.5760 -9.5760 -9.5572 -9.5572 -9.5228 -9.5228 -9.4921 -9.4921 -4.3493 -4.3493 -3.6010 -3.6010 1.8356 1.8356 3.0578 3.0578 3.1619 3.1619 3.3101 3.3101 4.3184 4.3184 4.6909 4.6909 5.9661 5.9661 6.4967 6.4967 6.9186 6.9186 7.4165 7.4165 8.1529 8.1529 k = 0.0000 0.5000-0.0000 ( 9798 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5157 -9.5157 -9.5157 -9.5157 -3.6999 -3.6999 -3.6999 -3.6999 1.3709 1.3709 1.3709 1.3709 3.3740 3.3740 3.3740 3.3740 3.9644 3.9644 3.9644 3.9644 6.8912 6.8912 6.8912 6.8912 7.9035 7.9035 7.9035 7.9035 8.1192 8.1192 k = 0.0000 0.5000 0.0147 ( 9830 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5157 -9.5157 -9.5157 -9.5157 -3.6998 -3.6998 -3.6998 -3.6998 1.3696 1.3696 1.3696 1.3696 3.3761 3.3761 3.3761 3.3761 3.9645 3.9645 3.9645 3.9645 6.8897 6.8897 6.8897 6.8897 7.8817 7.8817 7.8817 7.8817 8.1201 8.1201 k = 0.0000 0.5000 0.0293 ( 9830 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5157 -9.5157 -9.5157 -9.5157 -3.6995 -3.6995 -3.6995 -3.6995 1.3660 1.3660 1.3660 1.3660 3.3824 3.3824 3.3824 3.3824 3.9649 3.9649 3.9649 3.9649 6.8851 6.8851 6.8851 6.8851 7.8284 7.8284 7.8284 7.8284 8.1234 8.1234 k = 0.0000 0.5000 0.0440 ( 9832 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8200 -9.8200 -9.8200 -9.8200 -9.5728 -9.5728 -9.5728 -9.5728 -9.5156 -9.5156 -9.5156 -9.5156 -3.6991 -3.6991 -3.6991 -3.6991 1.3601 1.3601 1.3601 1.3601 3.3926 3.3926 3.3926 3.3926 3.9656 3.9656 3.9656 3.9656 6.8772 6.8772 6.8772 6.8772 7.7622 7.7622 7.7622 7.7622 8.1295 8.1295 k = 0.0000 0.5000 0.0587 ( 9812 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8201 -9.8201 -9.8201 -9.8201 -9.5729 -9.5729 -9.5729 -9.5729 -9.5156 -9.5156 -9.5156 -9.5156 -3.6985 -3.6985 -3.6985 -3.6985 1.3522 1.3522 1.3522 1.3522 3.4065 3.4065 3.4065 3.4065 3.9666 3.9666 3.9666 3.9666 6.8657 6.8657 6.8657 6.8657 7.6935 7.6935 7.6935 7.6935 8.1383 8.1383 k = 0.0000 0.5000 0.0733 ( 9804 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8201 -9.8201 -9.8201 -9.8201 -9.5729 -9.5729 -9.5729 -9.5729 -9.5155 -9.5155 -9.5155 -9.5155 -3.6977 -3.6977 -3.6977 -3.6977 1.3423 1.3423 1.3423 1.3423 3.4237 3.4237 3.4237 3.4237 3.9679 3.9679 3.9679 3.9679 6.8503 6.8503 6.8503 6.8503 7.6274 7.6274 7.6274 7.6274 8.1495 8.1495 k = 0.0000 0.5000 0.0880 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8202 -9.8202 -9.8202 -9.8202 -9.5730 -9.5730 -9.5730 -9.5730 -9.5154 -9.5154 -9.5154 -9.5154 -3.6968 -3.6968 -3.6968 -3.6968 1.3310 1.3310 1.3310 1.3310 3.4436 3.4436 3.4436 3.4436 3.9697 3.9697 3.9697 3.9697 6.8305 6.8305 6.8305 6.8305 7.5666 7.5666 7.5666 7.5666 8.1629 8.1629 k = 0.0000 0.5000 0.1027 ( 9802 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8202 -9.8202 -9.8202 -9.8202 -9.5730 -9.5730 -9.5730 -9.5730 -9.5154 -9.5154 -9.5154 -9.5154 -3.6958 -3.6958 -3.6958 -3.6958 1.3185 1.3185 1.3185 1.3185 3.4657 3.4657 3.4657 3.4657 3.9720 3.9720 3.9720 3.9720 6.8062 6.8062 6.8062 6.8062 7.5126 7.5126 7.5126 7.5126 8.1783 8.1783 k = 0.0000 0.5000 0.1173 ( 9806 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8203 -9.8203 -9.8203 -9.8203 -9.5731 -9.5731 -9.5731 -9.5731 -9.5153 -9.5153 -9.5153 -9.5153 -3.6947 -3.6947 -3.6947 -3.6947 1.3052 1.3052 1.3052 1.3052 3.4893 3.4893 3.4893 3.4893 3.9748 3.9748 3.9748 3.9748 6.7775 6.7775 6.7775 6.7775 7.4661 7.4661 7.4661 7.4661 8.1955 8.1955 k = 0.0000 0.5000 0.1320 ( 9806 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8204 -9.8204 -9.8204 -9.8204 -9.5732 -9.5732 -9.5732 -9.5732 -9.5152 -9.5152 -9.5152 -9.5152 -3.6935 -3.6935 -3.6935 -3.6935 1.2914 1.2914 1.2914 1.2914 3.5138 3.5138 3.5138 3.5138 3.9782 3.9782 3.9782 3.9782 6.7448 6.7448 6.7448 6.7448 7.4272 7.4272 7.4272 7.4272 8.2140 8.2140 k = 0.0000 0.5000 0.1467 ( 9784 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8204 -9.8204 -9.8204 -9.8204 -9.5732 -9.5732 -9.5732 -9.5732 -9.5151 -9.5151 -9.5151 -9.5151 -3.6924 -3.6924 -3.6924 -3.6924 1.2776 1.2776 1.2776 1.2776 3.5385 3.5385 3.5385 3.5385 3.9822 3.9822 3.9822 3.9822 6.7091 6.7091 6.7091 6.7091 7.3956 7.3956 7.3956 7.3956 8.2337 8.2337 k = 0.0000 0.5000 0.1613 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8205 -9.8205 -9.8205 -9.8205 -9.5733 -9.5733 -9.5733 -9.5733 -9.5150 -9.5150 -9.5150 -9.5150 -3.6912 -3.6912 -3.6912 -3.6912 1.2639 1.2639 1.2639 1.2639 3.5626 3.5626 3.5626 3.5626 3.9870 3.9870 3.9870 3.9870 6.6716 6.6716 6.6716 6.6716 7.3704 7.3704 7.3704 7.3704 8.2539 8.2539 k = 0.0000 0.5000 0.1760 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8206 -9.8206 -9.8206 -9.8206 -9.5734 -9.5734 -9.5734 -9.5734 -9.5149 -9.5149 -9.5149 -9.5149 -3.6900 -3.6900 -3.6900 -3.6900 1.2508 1.2508 1.2508 1.2508 3.5856 3.5856 3.5856 3.5856 3.9923 3.9923 3.9923 3.9923 6.6335 6.6335 6.6335 6.6335 7.3509 7.3509 7.3509 7.3509 8.2743 8.2743 k = 0.0000 0.5000 0.1907 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8206 -9.8206 -9.8206 -9.8206 -9.5734 -9.5734 -9.5734 -9.5734 -9.5148 -9.5148 -9.5148 -9.5148 -3.6889 -3.6889 -3.6889 -3.6889 1.2386 1.2386 1.2386 1.2386 3.6069 3.6069 3.6069 3.6069 3.9982 3.9982 3.9982 3.9982 6.5963 6.5963 6.5963 6.5963 7.3359 7.3359 7.3359 7.3359 8.2944 8.2944 k = 0.0000 0.5000 0.2053 ( 9830 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8207 -9.8207 -9.8207 -9.8207 -9.5735 -9.5735 -9.5735 -9.5735 -9.5147 -9.5147 -9.5147 -9.5147 -3.6879 -3.6879 -3.6879 -3.6879 1.2274 1.2274 1.2274 1.2274 3.6259 3.6259 3.6259 3.6259 4.0044 4.0044 4.0044 4.0044 6.5613 6.5613 6.5613 6.5613 7.3247 7.3247 7.3247 7.3247 8.3136 8.3136 k = 0.0000 0.5000 0.2200 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8207 -9.8207 -9.8207 -9.8207 -9.5736 -9.5736 -9.5736 -9.5736 -9.5146 -9.5146 -9.5146 -9.5146 -3.6870 -3.6870 -3.6870 -3.6870 1.2176 1.2176 1.2176 1.2176 3.6424 3.6424 3.6424 3.6424 4.0106 4.0106 4.0106 4.0106 6.5296 6.5296 6.5296 6.5296 7.3164 7.3164 7.3164 7.3164 8.3312 8.3312 k = 0.0000 0.5000 0.2347 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8208 -9.8208 -9.8208 -9.8208 -9.5736 -9.5736 -9.5736 -9.5736 -9.5146 -9.5146 -9.5146 -9.5146 -3.6862 -3.6862 -3.6862 -3.6862 1.2093 1.2093 1.2093 1.2093 3.6560 3.6560 3.6560 3.6560 4.0165 4.0165 4.0165 4.0165 6.5022 6.5022 6.5022 6.5022 7.3104 7.3104 7.3104 7.3104 8.3467 8.3467 k = 0.0000 0.5000 0.2493 ( 9820 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8208 -9.8208 -9.8208 -9.8208 -9.5736 -9.5736 -9.5736 -9.5736 -9.5145 -9.5145 -9.5145 -9.5145 -3.6856 -3.6856 -3.6856 -3.6856 1.2026 1.2026 1.2026 1.2026 3.6666 3.6666 3.6666 3.6666 4.0217 4.0217 4.0217 4.0217 6.4800 6.4800 6.4800 6.4800 7.3063 7.3063 7.3063 7.3063 8.3595 8.3595 k = 0.0000 0.5000 0.2640 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8260 -37.8260 -37.8260 -37.8260 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8209 -9.8209 -9.8209 -9.8209 -9.5737 -9.5737 -9.5737 -9.5737 -9.5145 -9.5145 -9.5145 -9.5145 -3.6851 -3.6851 -3.6851 -3.6851 1.1978 1.1978 1.1978 1.1978 3.6742 3.6742 3.6742 3.6742 4.0258 4.0258 4.0258 4.0258 6.4637 6.4637 6.4637 6.4637 7.3035 7.3035 7.3035 7.3035 8.3691 8.3691 k = 0.0000 0.5000 0.2787 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8209 -9.8209 -9.8209 -9.8209 -9.5737 -9.5737 -9.5737 -9.5737 -9.5144 -9.5144 -9.5144 -9.5144 -3.6849 -3.6849 -3.6849 -3.6849 1.1949 1.1949 1.1949 1.1949 3.6787 3.6787 3.6787 3.6787 4.0284 4.0284 4.0284 4.0284 6.4537 6.4537 6.4537 6.4537 7.3020 7.3020 7.3020 7.3020 8.3750 8.3750 k = 0.0000 0.5000 0.2933 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1107 -38.1107 -38.1107 -38.1107 -37.8259 -37.8259 -37.8259 -37.8259 -37.8193 -37.8193 -37.8193 -37.8193 -26.1090 -26.1090 -26.1090 -26.1090 -9.8209 -9.8209 -9.8209 -9.8209 -9.5737 -9.5737 -9.5737 -9.5737 -9.5144 -9.5144 -9.5144 -9.5144 -3.6848 -3.6848 -3.6848 -3.6848 1.1939 1.1939 1.1939 1.1939 3.6802 3.6802 3.6802 3.6802 4.0293 4.0293 4.0293 4.0293 6.4504 6.4504 6.4504 6.4504 7.3015 7.3015 7.3015 7.3015 8.3771 8.3771 k = 0.5000 0.5000-0.0000 ( 9800 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4687 -3.4687 -3.4687 -3.4687 1.2213 1.2213 1.2213 1.2213 2.9255 2.9255 2.9255 2.9255 3.1955 3.1955 3.1955 3.1955 6.4486 6.4486 6.4486 6.4486 6.7960 6.7960 6.7960 6.7960 9.8599 9.8599 k = 0.5000 0.5000 0.0147 ( 9808 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4687 -3.4687 -3.4687 -3.4687 1.2212 1.2212 1.2212 1.2212 2.9250 2.9250 2.9250 2.9250 3.1945 3.1945 3.1945 3.1945 6.4529 6.4529 6.4529 6.4529 6.7989 6.7989 6.7989 6.7989 9.8475 9.8475 k = 0.5000 0.5000 0.0293 ( 9832 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4684 -3.4684 -3.4684 -3.4684 1.2211 1.2211 1.2211 1.2211 2.9234 2.9234 2.9234 2.9234 3.1913 3.1913 3.1913 3.1913 6.4657 6.4657 6.4657 6.4657 6.8076 6.8076 6.8076 6.8076 9.8114 9.8114 k = 0.5000 0.5000 0.0440 ( 9840 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4681 -3.4681 -3.4681 -3.4681 1.2210 1.2210 1.2210 1.2210 2.9209 2.9209 2.9209 2.9209 3.1861 3.1861 3.1861 3.1861 6.4867 6.4867 6.4867 6.4867 6.8222 6.8222 6.8222 6.8222 9.7543 9.7543 k = 0.5000 0.5000 0.0587 ( 9852 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5256 -9.5256 -9.5256 -9.5256 -3.4675 -3.4675 -3.4675 -3.4675 1.2208 1.2208 1.2208 1.2208 2.9173 2.9173 2.9173 2.9173 3.1792 3.1792 3.1792 3.1792 6.5156 6.5156 6.5156 6.5156 6.8425 6.8425 6.8425 6.8425 9.6796 9.6796 k = 0.5000 0.5000 0.0733 ( 9852 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5257 -9.5257 -9.5257 -9.5257 -3.4669 -3.4669 -3.4669 -3.4669 1.2205 1.2205 1.2205 1.2205 2.9127 2.9127 2.9127 2.9127 3.1709 3.1709 3.1709 3.1709 6.5520 6.5520 6.5520 6.5520 6.8685 6.8685 6.8685 6.8685 9.5912 9.5912 k = 0.5000 0.5000 0.0880 ( 9844 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5257 -9.5257 -9.5257 -9.5257 -3.4661 -3.4661 -3.4661 -3.4661 1.2202 1.2202 1.2202 1.2202 2.9072 2.9072 2.9072 2.9072 3.1615 3.1615 3.1615 3.1615 6.5951 6.5951 6.5951 6.5951 6.9001 6.9001 6.9001 6.9001 9.4925 9.4925 k = 0.5000 0.5000 0.1027 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5257 -9.5257 -9.5257 -9.5257 -3.4653 -3.4653 -3.4653 -3.4653 1.2198 1.2198 1.2198 1.2198 2.9008 2.9008 2.9008 2.9008 3.1514 3.1514 3.1514 3.1514 6.6444 6.6444 6.6444 6.6444 6.9372 6.9372 6.9372 6.9372 9.3863 9.3863 k = 0.5000 0.5000 0.1173 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5258 -9.5258 -9.5258 -9.5258 -3.4644 -3.4644 -3.4644 -3.4644 1.2194 1.2194 1.2194 1.2194 2.8936 2.8936 2.8936 2.8936 3.1410 3.1410 3.1410 3.1410 6.6989 6.6989 6.6989 6.6989 6.9797 6.9797 6.9797 6.9797 9.2750 9.2750 k = 0.5000 0.5000 0.1320 ( 9836 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5259 -9.5259 -9.5259 -9.5259 -3.4634 -3.4634 -3.4634 -3.4634 1.2190 1.2190 1.2190 1.2190 2.8858 2.8858 2.8858 2.8858 3.1305 3.1305 3.1305 3.1305 6.7578 6.7578 6.7578 6.7578 7.0274 7.0274 7.0274 7.0274 9.1603 9.1603 k = 0.5000 0.5000 0.1467 ( 9868 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5259 -9.5259 -9.5259 -9.5259 -3.4624 -3.4624 -3.4624 -3.4624 1.2186 1.2186 1.2186 1.2186 2.8775 2.8775 2.8775 2.8775 3.1204 3.1204 3.1204 3.1204 6.8199 6.8199 6.8199 6.8199 7.0801 7.0801 7.0801 7.0801 9.0439 9.0439 k = 0.5000 0.5000 0.1613 ( 9852 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5787 -9.5787 -9.5787 -9.5787 -9.5260 -9.5260 -9.5260 -9.5260 -3.4614 -3.4614 -3.4614 -3.4614 1.2182 1.2182 1.2182 1.2182 2.8689 2.8689 2.8689 2.8689 3.1108 3.1108 3.1108 3.1108 6.8842 6.8842 6.8842 6.8842 7.1376 7.1376 7.1376 7.1376 8.9268 8.9268 k = 0.5000 0.5000 0.1760 ( 9844 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5260 -9.5260 -9.5260 -9.5260 -3.4604 -3.4604 -3.4604 -3.4604 1.2178 1.2178 1.2178 1.2178 2.8602 2.8602 2.8602 2.8602 3.1020 3.1020 3.1020 3.1020 6.9492 6.9492 6.9492 6.9492 7.1996 7.1996 7.1996 7.1996 8.8102 8.8102 k = 0.5000 0.5000 0.1907 ( 9828 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5261 -9.5261 -9.5261 -9.5261 -3.4595 -3.4595 -3.4595 -3.4595 1.2174 1.2174 1.2174 1.2174 2.8518 2.8518 2.8518 2.8518 3.0940 3.0940 3.0940 3.0940 7.0136 7.0136 7.0136 7.0136 7.2657 7.2657 7.2657 7.2657 8.6949 8.6949 k = 0.5000 0.5000 0.2053 ( 9836 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5261 -9.5261 -9.5261 -9.5261 -3.4586 -3.4586 -3.4586 -3.4586 1.2170 1.2170 1.2170 1.2170 2.8438 2.8438 2.8438 2.8438 3.0871 3.0871 3.0871 3.0871 7.0756 7.0756 7.0756 7.0756 7.3354 7.3354 7.3354 7.3354 8.5818 8.5818 k = 0.5000 0.5000 0.2200 ( 9844 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5262 -9.5262 -9.5262 -9.5262 -3.4579 -3.4579 -3.4579 -3.4579 1.2167 1.2167 1.2167 1.2167 2.8365 2.8365 2.8365 2.8365 3.0811 3.0811 3.0811 3.0811 7.1334 7.1334 7.1334 7.1334 7.4081 7.4081 7.4081 7.4081 8.4720 8.4720 k = 0.5000 0.5000 0.2347 ( 9836 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5262 -9.5262 -9.5262 -9.5262 -3.4572 -3.4572 -3.4572 -3.4572 1.2165 1.2165 1.2165 1.2165 2.8302 2.8302 2.8302 2.8302 3.0763 3.0763 3.0763 3.0763 7.1849 7.1849 7.1849 7.1849 7.4824 7.4824 7.4824 7.4824 8.3668 8.3668 k = 0.5000 0.5000 0.2493 ( 9840 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5262 -9.5262 -9.5262 -9.5262 -3.4567 -3.4567 -3.4567 -3.4567 1.2162 1.2162 1.2162 1.2162 2.8250 2.8250 2.8250 2.8250 3.0725 3.0725 3.0725 3.0725 7.2281 7.2281 7.2281 7.2281 7.5565 7.5565 7.5565 7.5565 8.2686 8.2686 k = 0.5000 0.5000 0.2640 ( 9824 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5262 -9.5262 -9.5262 -9.5262 -3.4563 -3.4563 -3.4563 -3.4563 1.2161 1.2161 1.2161 1.2161 2.8212 2.8212 2.8212 2.8212 3.0698 3.0698 3.0698 3.0698 7.2607 7.2607 7.2607 7.2607 7.6259 7.6259 7.6259 7.6259 8.1818 8.1818 k = 0.5000 0.5000 0.2787 ( 9840 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5263 -9.5263 -9.5263 -9.5263 -3.4561 -3.4561 -3.4561 -3.4561 1.2160 1.2160 1.2160 1.2160 2.8189 2.8189 2.8189 2.8189 3.0682 3.0682 3.0682 3.0682 7.2812 7.2812 7.2812 7.2812 7.6809 7.6809 7.6809 7.6809 8.1163 8.1163 k = 0.5000 0.5000 0.2933 ( 9856 PWs) bands (ev): -71.1701 -71.1701 -71.1701 -71.1701 -38.1108 -38.1108 -38.1108 -38.1108 -37.8269 -37.8269 -37.8269 -37.8269 -37.8184 -37.8184 -37.8184 -37.8184 -26.1080 -26.1080 -26.1080 -26.1080 -9.8231 -9.8231 -9.8231 -9.8231 -9.5786 -9.5786 -9.5786 -9.5786 -9.5263 -9.5263 -9.5263 -9.5263 -3.4560 -3.4560 -3.4560 -3.4560 1.2159 1.2159 1.2159 1.2159 2.8181 2.8181 2.8181 2.8181 3.0677 3.0677 3.0677 3.0677 7.2881 7.2881 7.2881 7.2881 7.7034 7.7034 7.7034 7.7034 8.0902 8.0902 Writing output data file KMgSb.save init_run : 0.46s CPU 0.63s WALL ( 1 calls) electrons : 273.70s CPU 276.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 273.70s CPU 276.80s 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 : 0.12s CPU 0.22s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.14s WALL ( 295 calls) cegterg : 251.41s CPU 253.65s WALL ( 462 calls) Called by sum_band: Called by *egterg: h_psi : 155.88s CPU 157.48s WALL ( 7424 calls) s_psi : 8.83s CPU 8.98s WALL ( 7424 calls) g_psi : 0.51s CPU 0.54s WALL ( 6667 calls) cdiaghg : 65.11s CPU 65.96s WALL ( 6962 calls) cegterg:over : 13.66s CPU 13.57s WALL ( 6667 calls) cegterg:upda : 13.21s CPU 13.29s WALL ( 6667 calls) cegterg:last : 6.44s CPU 6.49s WALL ( 1068 calls) cdiaghg:chol : 3.73s CPU 3.82s WALL ( 6962 calls) cdiaghg:inve : 2.64s CPU 2.69s WALL ( 6962 calls) cdiaghg:para : 4.22s CPU 4.36s WALL ( 13924 calls) Called by h_psi: h_psi:vloc : 136.03s CPU 137.61s WALL ( 7424 calls) h_psi:vnl : 19.36s CPU 19.30s WALL ( 7424 calls) add_vuspsi : 9.52s CPU 9.78s WALL ( 7424 calls) General routines calbec : 9.82s CPU 9.50s WALL ( 7424 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 127.38s CPU 129.09s WALL ( 809024 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.33s CPU 0.47s WALL ( 590 calls) Parallel routines fft_scatter : 42.49s CPU 43.57s WALL ( 809047 calls) PWSCF : 5m 1.36s CPU 5m21.21s WALL This run was terminated on: 20:20:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=