Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 5:49:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./RbCaSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 20 6 1745 950 141 Max 32 21 8 1751 973 152 Sum 2241 1489 437 125869 69277 10641 bravais-lattice index = 14 lattice parameter (alat) = 10.1346 a.u. unit-cell volume = 1643.7821 (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 = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.134600 celldm(2)= 1.000000 celldm(3)= 1.579153 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 1.579153 ) 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 0.633251 ) PseudoPot. # 1 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. # 2 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef 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 1169 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 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 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) Rb 9.00 85.46780 Rb( 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= 270 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0037037 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0037037 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0037037 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0037037 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0037037 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0037037 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0037037 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0037037 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0037037 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0037037 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0037037 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0037037 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0037037 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0037037 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0037037 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0037037 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0037037 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0037037 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0037037 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037037 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0037037 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0037037 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0037037 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0037037 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0037037 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0037037 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0037037 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0037037 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0037037 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0037037 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0037037 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0037037 k( 66) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0037037 k( 67) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0037037 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0037037 k( 69) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0037037 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0037037 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0037037 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0037037 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0037037 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0037037 k( 75) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0037037 k( 76) = ( 0.3452381 0.3452381 -0.0000000), wk = 0.0037037 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 78) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0037037 k( 79) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0037037 k( 80) = ( 0.2976190 0.2976190 -0.0000000), wk = 0.0037037 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037037 k( 82) = ( 0.2738095 0.2738095 -0.0000000), wk = 0.0037037 k( 83) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0037037 k( 84) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0037037 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0037037 k( 86) = ( 0.2261905 0.2261905 -0.0000000), wk = 0.0037037 k( 87) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0037037 k( 88) = ( 0.2023810 0.2023809 -0.0000000), wk = 0.0037037 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0037037 k( 90) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0037037 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037037 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0037037 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037037 k( 94) = ( 0.1309524 0.1309524 -0.0000000), wk = 0.0037037 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0037037 k( 96) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0037037 k( 97) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0037037 k( 98) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0037037 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0037037 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0037037 k( 101) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0037037 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0037037 k( 103) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0037037 k( 104) = ( 0.0119048 0.0119048 -0.0000000), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.0166645), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.0333290), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0499935), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.0666580), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.0833225), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.0999870), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.1166514), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.1333159), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.1499804), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.1666449), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.1833094), wk = 0.0037037 k( 118) = ( 0.0000000 0.0000000 0.1999739), wk = 0.0037037 k( 119) = ( 0.0000000 0.0000000 0.2166384), wk = 0.0037037 k( 120) = ( 0.0000000 0.0000000 0.2333029), wk = 0.0037037 k( 121) = ( 0.0000000 0.0000000 0.2499674), wk = 0.0037037 k( 122) = ( 0.0000000 0.0000000 0.2666319), wk = 0.0037037 k( 123) = ( 0.0000000 0.0000000 0.2832964), wk = 0.0037037 k( 124) = ( 0.0000000 0.0000000 0.2999608), wk = 0.0037037 k( 125) = ( 0.0000000 0.0000000 0.3166253), wk = 0.0037037 k( 126) = ( 0.0000000 0.0000000 0.3166253), wk = 0.0037037 k( 127) = ( 0.0000000 0.0166667 0.3166253), wk = 0.0037037 k( 128) = ( 0.0000000 0.0333333 0.3166253), wk = 0.0037037 k( 129) = ( 0.0000000 0.0500000 0.3166253), wk = 0.0037037 k( 130) = ( 0.0000000 0.0666667 0.3166253), wk = 0.0037037 k( 131) = ( 0.0000000 0.0833333 0.3166253), wk = 0.0037037 k( 132) = ( 0.0000000 0.1000000 0.3166253), wk = 0.0037037 k( 133) = ( 0.0000000 0.1166667 0.3166253), wk = 0.0037037 k( 134) = ( 0.0000000 0.1333333 0.3166253), wk = 0.0037037 k( 135) = ( 0.0000000 0.1500000 0.3166253), wk = 0.0037037 k( 136) = ( 0.0000000 0.1666667 0.3166253), wk = 0.0037037 k( 137) = ( 0.0000000 0.1833333 0.3166253), wk = 0.0037037 k( 138) = ( 0.0000000 0.2000000 0.3166253), wk = 0.0037037 k( 139) = ( 0.0000000 0.2166667 0.3166253), wk = 0.0037037 k( 140) = ( 0.0000000 0.2333333 0.3166253), wk = 0.0037037 k( 141) = ( 0.0000000 0.2500000 0.3166253), wk = 0.0037037 k( 142) = ( 0.0000000 0.2666667 0.3166253), wk = 0.0037037 k( 143) = ( 0.0000000 0.2833333 0.3166253), wk = 0.0037037 k( 144) = ( 0.0000000 0.3000000 0.3166253), wk = 0.0037037 k( 145) = ( 0.0000000 0.3166667 0.3166253), wk = 0.0037037 k( 146) = ( 0.0000000 0.3333333 0.3166253), wk = 0.0037037 k( 147) = ( 0.0000000 0.3500000 0.3166253), wk = 0.0037037 k( 148) = ( 0.0000000 0.3666667 0.3166253), wk = 0.0037037 k( 149) = ( 0.0000000 0.3833333 0.3166253), wk = 0.0037037 k( 150) = ( 0.0000000 0.4000000 0.3166253), wk = 0.0037037 k( 151) = ( 0.0000000 0.4166667 0.3166253), wk = 0.0037037 k( 152) = ( 0.0000000 0.4333333 0.3166253), wk = 0.0037037 k( 153) = ( 0.0000000 0.4500000 0.3166253), wk = 0.0037037 k( 154) = ( 0.0000000 0.4666667 0.3166253), wk = 0.0037037 k( 155) = ( 0.0000000 0.4833333 0.3166253), wk = 0.0037037 k( 156) = ( 0.0000000 0.5000000 0.3166253), wk = 0.0037037 k( 157) = ( 0.0000000 0.5000000 0.3166253), wk = 0.0037037 k( 158) = ( 0.0166667 0.5000000 0.3166253), wk = 0.0037037 k( 159) = ( 0.0333333 0.5000000 0.3166253), wk = 0.0037037 k( 160) = ( 0.0500000 0.5000000 0.3166253), wk = 0.0037037 k( 161) = ( 0.0666667 0.5000000 0.3166253), wk = 0.0037037 k( 162) = ( 0.0833333 0.5000000 0.3166253), wk = 0.0037037 k( 163) = ( 0.1000000 0.5000000 0.3166253), wk = 0.0037037 k( 164) = ( 0.1166667 0.5000000 0.3166253), wk = 0.0037037 k( 165) = ( 0.1333333 0.5000000 0.3166253), wk = 0.0037037 k( 166) = ( 0.1500000 0.5000000 0.3166253), wk = 0.0037037 k( 167) = ( 0.1666667 0.5000000 0.3166253), wk = 0.0037037 k( 168) = ( 0.1833333 0.5000000 0.3166253), wk = 0.0037037 k( 169) = ( 0.2000000 0.5000000 0.3166253), wk = 0.0037037 k( 170) = ( 0.2166667 0.5000000 0.3166253), wk = 0.0037037 k( 171) = ( 0.2333333 0.5000000 0.3166253), wk = 0.0037037 k( 172) = ( 0.2500000 0.5000000 0.3166253), wk = 0.0037037 k( 173) = ( 0.2666667 0.5000000 0.3166253), wk = 0.0037037 k( 174) = ( 0.2833333 0.5000000 0.3166253), wk = 0.0037037 k( 175) = ( 0.3000000 0.5000000 0.3166253), wk = 0.0037037 k( 176) = ( 0.3166667 0.5000000 0.3166253), wk = 0.0037037 k( 177) = ( 0.3333333 0.5000000 0.3166253), wk = 0.0037037 k( 178) = ( 0.3500000 0.5000000 0.3166253), wk = 0.0037037 k( 179) = ( 0.3666667 0.5000000 0.3166253), wk = 0.0037037 k( 180) = ( 0.3833333 0.5000000 0.3166253), wk = 0.0037037 k( 181) = ( 0.4000000 0.5000000 0.3166253), wk = 0.0037037 k( 182) = ( 0.4166667 0.5000000 0.3166253), wk = 0.0037037 k( 183) = ( 0.4333333 0.5000000 0.3166253), wk = 0.0037037 k( 184) = ( 0.4500000 0.5000000 0.3166253), wk = 0.0037037 k( 185) = ( 0.4666667 0.5000000 0.3166253), wk = 0.0037037 k( 186) = ( 0.4833333 0.5000000 0.3166253), wk = 0.0037037 k( 187) = ( 0.5000000 0.5000000 0.3166253), wk = 0.0037037 k( 188) = ( 0.5000000 0.5000000 0.3166253), wk = 0.0037037 k( 189) = ( 0.4880952 0.4880952 0.3166253), wk = 0.0037037 k( 190) = ( 0.4761905 0.4761905 0.3166253), wk = 0.0037037 k( 191) = ( 0.4642857 0.4642857 0.3166253), wk = 0.0037037 k( 192) = ( 0.4523810 0.4523809 0.3166253), wk = 0.0037037 k( 193) = ( 0.4404762 0.4404762 0.3166253), wk = 0.0037037 k( 194) = ( 0.4285714 0.4285714 0.3166253), wk = 0.0037037 k( 195) = ( 0.4166667 0.4166667 0.3166253), wk = 0.0037037 k( 196) = ( 0.4047619 0.4047619 0.3166253), wk = 0.0037037 k( 197) = ( 0.3928571 0.3928571 0.3166253), wk = 0.0037037 k( 198) = ( 0.3809524 0.3809524 0.3166253), wk = 0.0037037 k( 199) = ( 0.3690476 0.3690476 0.3166253), wk = 0.0037037 k( 200) = ( 0.3571429 0.3571429 0.3166253), wk = 0.0037037 k( 201) = ( 0.3452381 0.3452381 0.3166253), wk = 0.0037037 k( 202) = ( 0.3333333 0.3333333 0.3166253), wk = 0.0037037 k( 203) = ( 0.3214286 0.3214286 0.3166253), wk = 0.0037037 k( 204) = ( 0.3095238 0.3095238 0.3166253), wk = 0.0037037 k( 205) = ( 0.2976190 0.2976190 0.3166253), wk = 0.0037037 k( 206) = ( 0.2857143 0.2857143 0.3166253), wk = 0.0037037 k( 207) = ( 0.2738095 0.2738095 0.3166253), wk = 0.0037037 k( 208) = ( 0.2619048 0.2619048 0.3166253), wk = 0.0037037 k( 209) = ( 0.2500000 0.2500000 0.3166253), wk = 0.0037037 k( 210) = ( 0.2380952 0.2380952 0.3166253), wk = 0.0037037 k( 211) = ( 0.2261905 0.2261905 0.3166253), wk = 0.0037037 k( 212) = ( 0.2142857 0.2142857 0.3166253), wk = 0.0037037 k( 213) = ( 0.2023810 0.2023809 0.3166253), wk = 0.0037037 k( 214) = ( 0.1904762 0.1904762 0.3166253), wk = 0.0037037 k( 215) = ( 0.1785714 0.1785714 0.3166253), wk = 0.0037037 k( 216) = ( 0.1666667 0.1666667 0.3166253), wk = 0.0037037 k( 217) = ( 0.1547619 0.1547619 0.3166253), wk = 0.0037037 k( 218) = ( 0.1428571 0.1428571 0.3166253), wk = 0.0037037 k( 219) = ( 0.1309524 0.1309524 0.3166253), wk = 0.0037037 k( 220) = ( 0.1190476 0.1190476 0.3166253), wk = 0.0037037 k( 221) = ( 0.1071429 0.1071429 0.3166253), wk = 0.0037037 k( 222) = ( 0.0952381 0.0952381 0.3166253), wk = 0.0037037 k( 223) = ( 0.0833333 0.0833333 0.3166253), wk = 0.0037037 k( 224) = ( 0.0714286 0.0714286 0.3166253), wk = 0.0037037 k( 225) = ( 0.0595238 0.0595238 0.3166253), wk = 0.0037037 k( 226) = ( 0.0476191 0.0476190 0.3166253), wk = 0.0037037 k( 227) = ( 0.0357143 0.0357143 0.3166253), wk = 0.0037037 k( 228) = ( 0.0238095 0.0238095 0.3166253), wk = 0.0037037 k( 229) = ( 0.0119048 0.0119048 0.3166253), wk = 0.0037037 k( 230) = ( 0.0000000 0.0000000 0.3166253), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.0166645), wk = 0.0037037 k( 233) = ( 0.0000000 0.5000000 0.0333290), wk = 0.0037037 k( 234) = ( 0.0000000 0.5000000 0.0499935), wk = 0.0037037 k( 235) = ( 0.0000000 0.5000000 0.0666580), wk = 0.0037037 k( 236) = ( 0.0000000 0.5000000 0.0833225), wk = 0.0037037 k( 237) = ( 0.0000000 0.5000000 0.0999870), wk = 0.0037037 k( 238) = ( 0.0000000 0.5000000 0.1166514), wk = 0.0037037 k( 239) = ( 0.0000000 0.5000000 0.1333159), wk = 0.0037037 k( 240) = ( 0.0000000 0.5000000 0.1499804), wk = 0.0037037 k( 241) = ( 0.0000000 0.5000000 0.1666449), wk = 0.0037037 k( 242) = ( 0.0000000 0.5000000 0.1833094), wk = 0.0037037 k( 243) = ( 0.0000000 0.5000000 0.1999739), wk = 0.0037037 k( 244) = ( 0.0000000 0.5000000 0.2166384), wk = 0.0037037 k( 245) = ( 0.0000000 0.5000000 0.2333029), wk = 0.0037037 k( 246) = ( 0.0000000 0.5000000 0.2499674), wk = 0.0037037 k( 247) = ( 0.0000000 0.5000000 0.2666319), wk = 0.0037037 k( 248) = ( 0.0000000 0.5000000 0.2832964), wk = 0.0037037 k( 249) = ( 0.0000000 0.5000000 0.2999608), wk = 0.0037037 k( 250) = ( 0.0000000 0.5000000 0.3166253), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.0166645), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.0333290), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.0499935), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.0666580), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.0833225), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.0999870), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.1166514), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.1333159), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.1499804), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.1666449), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.1833094), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.1999739), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.2166384), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.2333029), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.2499674), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.2666319), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.2832964), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.2999608), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.3166253), wk = 0.0037037 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0037037 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0037037 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0037037 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0037037 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0037037 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0037037 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0037037 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0037037 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0037037 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0037037 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0037037 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0037037 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0037037 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0037037 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0037037 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0037037 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0037037 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0037037 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0037037 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0037037 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0037037 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0037037 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0037037 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0037037 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0037037 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0037037 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0037037 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0037037 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0037037 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0037037 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0037037 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0037037 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0037037 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0037037 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0037037 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0037037 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0037037 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0037037 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0037037 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0037037 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0037037 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0037037 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0037037 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0037037 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0037037 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0037037 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0037037 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0037037 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0037037 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0037037 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0037037 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0037037 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0037037 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0037037 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0037037 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0037037 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0037037 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0037037 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037037 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037037 k( 64) = ( 0.4880952 0.4880952 -0.0000000), wk = 0.0037037 k( 65) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0037037 k( 66) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0037037 k( 67) = ( 0.4523810 0.4523810 -0.0000000), wk = 0.0037037 k( 68) = ( 0.4404762 0.4404762 -0.0000000), wk = 0.0037037 k( 69) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0037037 k( 70) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0037037 k( 71) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0037037 k( 72) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0037037 k( 73) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0037037 k( 74) = ( 0.3690476 0.3690476 -0.0000000), wk = 0.0037037 k( 75) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0037037 k( 76) = ( 0.3452381 0.3452381 0.0000000), wk = 0.0037037 k( 77) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0037037 k( 78) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0037037 k( 79) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0037037 k( 80) = ( 0.2976190 0.2976190 0.0000000), wk = 0.0037037 k( 81) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0037037 k( 82) = ( 0.2738095 0.2738095 0.0000000), wk = 0.0037037 k( 83) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0037037 k( 84) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0037037 k( 85) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0037037 k( 86) = ( 0.2261905 0.2261905 0.0000000), wk = 0.0037037 k( 87) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0037037 k( 88) = ( 0.2023810 0.2023810 -0.0000000), wk = 0.0037037 k( 89) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0037037 k( 90) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0037037 k( 91) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037037 k( 92) = ( 0.1547619 0.1547619 -0.0000000), wk = 0.0037037 k( 93) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0037037 k( 94) = ( 0.1309524 0.1309524 0.0000000), wk = 0.0037037 k( 95) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0037037 k( 96) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0037037 k( 97) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0037037 k( 98) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0037037 k( 99) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0037037 k( 100) = ( 0.0595238 0.0595238 -0.0000000), wk = 0.0037037 k( 101) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0037037 k( 102) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0037037 k( 103) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0037037 k( 104) = ( 0.0119048 0.0119048 0.0000000), wk = 0.0037037 k( 105) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037037 k( 107) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0037037 k( 108) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0037037 k( 109) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0037037 k( 110) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0037037 k( 111) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0037037 k( 112) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0037037 k( 113) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0037037 k( 114) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0037037 k( 115) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0037037 k( 116) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0037037 k( 117) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0037037 k( 118) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0037037 k( 119) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0037037 k( 120) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0037037 k( 121) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0037037 k( 122) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0037037 k( 123) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0037037 k( 124) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0037037 k( 125) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 127) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0037037 k( 128) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0037037 k( 129) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0037037 k( 130) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0037037 k( 131) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0037037 k( 132) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0037037 k( 133) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0037037 k( 134) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0037037 k( 135) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0037037 k( 136) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0037037 k( 137) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0037037 k( 138) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0037037 k( 139) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0037037 k( 140) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0037037 k( 141) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0037037 k( 142) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0037037 k( 143) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0037037 k( 144) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0037037 k( 145) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0037037 k( 146) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0037037 k( 147) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0037037 k( 148) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0037037 k( 149) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0037037 k( 150) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0037037 k( 151) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0037037 k( 152) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0037037 k( 153) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0037037 k( 154) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0037037 k( 155) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0037037 k( 156) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 157) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 158) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0037037 k( 159) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0037037 k( 160) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0037037 k( 161) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0037037 k( 162) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0037037 k( 163) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0037037 k( 164) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0037037 k( 165) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0037037 k( 166) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0037037 k( 167) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0037037 k( 168) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0037037 k( 169) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0037037 k( 170) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0037037 k( 171) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0037037 k( 172) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0037037 k( 173) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0037037 k( 174) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0037037 k( 175) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0037037 k( 176) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0037037 k( 177) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0037037 k( 178) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0037037 k( 179) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0037037 k( 180) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0037037 k( 181) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0037037 k( 182) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0037037 k( 183) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0037037 k( 184) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0037037 k( 185) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0037037 k( 186) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0037037 k( 187) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 k( 189) = ( 0.4880952 0.4880952 0.5000000), wk = 0.0037037 k( 190) = ( 0.4761905 0.4761905 0.5000000), wk = 0.0037037 k( 191) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0037037 k( 192) = ( 0.4523810 0.4523810 0.5000000), wk = 0.0037037 k( 193) = ( 0.4404762 0.4404762 0.5000000), wk = 0.0037037 k( 194) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0037037 k( 195) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0037037 k( 196) = ( 0.4047619 0.4047619 0.5000000), wk = 0.0037037 k( 197) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0037037 k( 198) = ( 0.3809524 0.3809524 0.5000000), wk = 0.0037037 k( 199) = ( 0.3690476 0.3690476 0.5000000), wk = 0.0037037 k( 200) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0037037 k( 201) = ( 0.3452381 0.3452381 0.5000000), wk = 0.0037037 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037037 k( 203) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0037037 k( 204) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0037037 k( 205) = ( 0.2976190 0.2976190 0.5000000), wk = 0.0037037 k( 206) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0037037 k( 207) = ( 0.2738095 0.2738095 0.5000000), wk = 0.0037037 k( 208) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0037037 k( 209) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0037037 k( 210) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0037037 k( 211) = ( 0.2261905 0.2261905 0.5000000), wk = 0.0037037 k( 212) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0037037 k( 213) = ( 0.2023810 0.2023810 0.5000000), wk = 0.0037037 k( 214) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0037037 k( 215) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0037037 k( 216) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037037 k( 217) = ( 0.1547619 0.1547619 0.5000000), wk = 0.0037037 k( 218) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0037037 k( 219) = ( 0.1309524 0.1309524 0.5000000), wk = 0.0037037 k( 220) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0037037 k( 221) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0037037 k( 222) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0037037 k( 223) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0037037 k( 224) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0037037 k( 225) = ( 0.0595238 0.0595238 0.5000000), wk = 0.0037037 k( 226) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0037037 k( 227) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0037037 k( 228) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0037037 k( 229) = ( 0.0119048 0.0119048 0.5000000), wk = 0.0037037 k( 230) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037037 k( 231) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0037037 k( 232) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0037037 k( 233) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0037037 k( 234) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0037037 k( 235) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0037037 k( 236) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0037037 k( 237) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0037037 k( 238) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0037037 k( 239) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0037037 k( 240) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0037037 k( 241) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0037037 k( 242) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0037037 k( 243) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0037037 k( 244) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0037037 k( 245) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0037037 k( 246) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0037037 k( 247) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0037037 k( 248) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0037037 k( 249) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0037037 k( 250) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0037037 k( 251) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0037037 k( 252) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0037037 k( 253) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0037037 k( 254) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0037037 k( 255) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0037037 k( 256) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0037037 k( 257) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0037037 k( 258) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0037037 k( 259) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0037037 k( 260) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0037037 k( 261) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0037037 k( 262) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0037037 k( 263) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0037037 k( 264) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0037037 k( 265) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0037037 k( 266) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0037037 k( 267) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0037037 k( 268) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0037037 k( 269) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0037037 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0037037 Dense grid: 125869 G-vectors FFT dimensions: ( 54, 54, 90) Smooth grid: 69277 G-vectors FFT dimensions: ( 45, 45, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 248, 58) NL pseudopotentials 0.39 Mb ( 124, 204) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.01 Mb ( 1749) G-vector shells 0.01 Mb ( 868) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 248, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.36 Mb ( 204, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./RbCaSb.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.1 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.4 secs Computing kpt #: 4 total cpu time spent up to now is 7.5 secs Computing kpt #: 5 total cpu time spent up to now is 8.9 secs Computing kpt #: 6 total cpu time spent up to now is 10.1 secs Computing kpt #: 7 total cpu time spent up to now is 11.3 secs Computing kpt #: 8 total cpu time spent up to now is 12.5 secs Computing kpt #: 9 total cpu time spent up to now is 13.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.7 secs Computing kpt #: 13 total cpu time spent up to now is 19.0 secs Computing kpt #: 14 total cpu time spent up to now is 20.5 secs Computing kpt #: 15 total cpu time spent up to now is 22.0 secs Computing kpt #: 16 total cpu time spent up to now is 23.5 secs Computing kpt #: 17 total cpu time spent up to now is 25.0 secs Computing kpt #: 18 total cpu time spent up to now is 26.5 secs Computing kpt #: 19 total cpu time spent up to now is 28.0 secs Computing kpt #: 20 total cpu time spent up to now is 29.6 secs Computing kpt #: 21 total cpu time spent up to now is 31.7 secs Computing kpt #: 22 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 34.4 secs Computing kpt #: 23 total cpu time spent up to now is 36.5 secs Computing kpt #: 24 total cpu time spent up to now is 38.7 secs Computing kpt #: 25 total cpu time spent up to now is 40.6 secs Computing kpt #: 26 total cpu time spent up to now is 42.7 secs Computing kpt #: 27 total cpu time spent up to now is 44.5 secs Computing kpt #: 28 total cpu time spent up to now is 46.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.1 secs Computing kpt #: 30 total cpu time spent up to now is 49.9 secs Computing kpt #: 31 total cpu time spent up to now is 51.3 secs Computing kpt #: 32 total cpu time spent up to now is 52.8 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 55.5 secs Computing kpt #: 34 total cpu time spent up to now is 57.1 secs Computing kpt #: 35 total cpu time spent up to now is 59.0 secs Computing kpt #: 36 total cpu time spent up to now is 60.6 secs Computing kpt #: 37 total cpu time spent up to now is 62.2 secs Computing kpt #: 38 total cpu time spent up to now is 63.8 secs Computing kpt #: 39 total cpu time spent up to now is 65.4 secs Computing kpt #: 40 total cpu time spent up to now is 67.0 secs Computing kpt #: 41 total cpu time spent up to now is 68.6 secs Computing kpt #: 42 total cpu time spent up to now is 70.2 secs Computing kpt #: 43 total cpu time spent up to now is 71.9 secs Computing kpt #: 44 total cpu time spent up to now is 73.5 secs Computing kpt #: 45 total cpu time spent up to now is 75.1 secs Computing kpt #: 46 total cpu time spent up to now is 76.7 secs Computing kpt #: 47 total cpu time spent up to now is 78.5 secs Computing kpt #: 48 total cpu time spent up to now is 80.4 secs Computing kpt #: 49 total cpu time spent up to now is 82.3 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.9 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 87.5 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.0 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 92.7 secs Computing kpt #: 54 total cpu time spent up to now is 94.4 secs Computing kpt #: 55 total cpu time spent up to now is 96.2 secs Computing kpt #: 56 total cpu time spent up to now is 97.8 secs Computing kpt #: 57 total cpu time spent up to now is 99.3 secs Computing kpt #: 58 total cpu time spent up to now is 101.0 secs Computing kpt #: 59 total cpu time spent up to now is 102.7 secs Computing kpt #: 60 total cpu time spent up to now is 104.2 secs Computing kpt #: 61 total cpu time spent up to now is 105.6 secs Computing kpt #: 62 total cpu time spent up to now is 107.1 secs Computing kpt #: 63 total cpu time spent up to now is 108.6 secs Computing kpt #: 64 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.2 secs Computing kpt #: 65 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 113.8 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 116.4 secs Computing kpt #: 67 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 119.1 secs Computing kpt #: 68 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 121.9 secs Computing kpt #: 69 total cpu time spent up to now is 123.9 secs Computing kpt #: 70 total cpu time spent up to now is 126.4 secs Computing kpt #: 71 total cpu time spent up to now is 128.7 secs Computing kpt #: 72 total cpu time spent up to now is 130.5 secs Computing kpt #: 73 total cpu time spent up to now is 132.1 secs Computing kpt #: 74 total cpu time spent up to now is 133.5 secs Computing kpt #: 75 total cpu time spent up to now is 135.0 secs Computing kpt #: 76 total cpu time spent up to now is 136.4 secs Computing kpt #: 77 total cpu time spent up to now is 137.8 secs Computing kpt #: 78 total cpu time spent up to now is 139.1 secs Computing kpt #: 79 total cpu time spent up to now is 140.3 secs Computing kpt #: 80 total cpu time spent up to now is 141.7 secs Computing kpt #: 81 total cpu time spent up to now is 143.0 secs Computing kpt #: 82 total cpu time spent up to now is 144.3 secs Computing kpt #: 83 total cpu time spent up to now is 145.8 secs Computing kpt #: 84 total cpu time spent up to now is 147.3 secs Computing kpt #: 85 total cpu time spent up to now is 148.7 secs Computing kpt #: 86 total cpu time spent up to now is 150.1 secs Computing kpt #: 87 total cpu time spent up to now is 151.5 secs Computing kpt #: 88 total cpu time spent up to now is 153.0 secs Computing kpt #: 89 total cpu time spent up to now is 154.4 secs Computing kpt #: 90 total cpu time spent up to now is 155.8 secs Computing kpt #: 91 total cpu time spent up to now is 157.3 secs Computing kpt #: 92 total cpu time spent up to now is 158.8 secs Computing kpt #: 93 total cpu time spent up to now is 160.2 secs Computing kpt #: 94 total cpu time spent up to now is 161.5 secs Computing kpt #: 95 total cpu time spent up to now is 162.7 secs Computing kpt #: 96 total cpu time spent up to now is 163.9 secs Computing kpt #: 97 total cpu time spent up to now is 165.1 secs Computing kpt #: 98 total cpu time spent up to now is 166.4 secs Computing kpt #: 99 total cpu time spent up to now is 167.5 secs Computing kpt #: 100 total cpu time spent up to now is 168.7 secs Computing kpt #: 101 total cpu time spent up to now is 169.9 secs Computing kpt #: 102 total cpu time spent up to now is 171.0 secs Computing kpt #: 103 total cpu time spent up to now is 172.2 secs Computing kpt #: 104 total cpu time spent up to now is 173.3 secs Computing kpt #: 105 total cpu time spent up to now is 174.4 secs Computing kpt #: 106 total cpu time spent up to now is 175.6 secs Computing kpt #: 107 total cpu time spent up to now is 177.0 secs Computing kpt #: 108 total cpu time spent up to now is 178.1 secs Computing kpt #: 109 total cpu time spent up to now is 179.2 secs Computing kpt #: 110 total cpu time spent up to now is 180.4 secs Computing kpt #: 111 total cpu time spent up to now is 181.6 secs Computing kpt #: 112 total cpu time spent up to now is 182.8 secs Computing kpt #: 113 total cpu time spent up to now is 183.9 secs Computing kpt #: 114 total cpu time spent up to now is 185.1 secs Computing kpt #: 115 total cpu time spent up to now is 186.3 secs Computing kpt #: 116 total cpu time spent up to now is 187.5 secs Computing kpt #: 117 total cpu time spent up to now is 188.6 secs Computing kpt #: 118 total cpu time spent up to now is 189.8 secs Computing kpt #: 119 total cpu time spent up to now is 191.0 secs Computing kpt #: 120 total cpu time spent up to now is 192.3 secs Computing kpt #: 121 total cpu time spent up to now is 193.4 secs Computing kpt #: 122 total cpu time spent up to now is 194.6 secs Computing kpt #: 123 total cpu time spent up to now is 195.7 secs Computing kpt #: 124 total cpu time spent up to now is 196.9 secs Computing kpt #: 125 total cpu time spent up to now is 198.1 secs Computing kpt #: 126 total cpu time spent up to now is 199.2 secs Computing kpt #: 127 total cpu time spent up to now is 200.4 secs Computing kpt #: 128 total cpu time spent up to now is 201.5 secs Computing kpt #: 129 total cpu time spent up to now is 202.7 secs Computing kpt #: 130 total cpu time spent up to now is 203.9 secs Computing kpt #: 131 total cpu time spent up to now is 205.2 secs Computing kpt #: 132 total cpu time spent up to now is 206.4 secs Computing kpt #: 133 total cpu time spent up to now is 207.7 secs Computing kpt #: 134 total cpu time spent up to now is 208.9 secs Computing kpt #: 135 total cpu time spent up to now is 210.1 secs Computing kpt #: 136 total cpu time spent up to now is 211.3 secs Computing kpt #: 137 total cpu time spent up to now is 212.5 secs Computing kpt #: 138 total cpu time spent up to now is 213.7 secs Computing kpt #: 139 total cpu time spent up to now is 214.9 secs Computing kpt #: 140 total cpu time spent up to now is 216.4 secs Computing kpt #: 141 total cpu time spent up to now is 217.6 secs Computing kpt #: 142 total cpu time spent up to now is 218.8 secs Computing kpt #: 143 total cpu time spent up to now is 220.1 secs Computing kpt #: 144 total cpu time spent up to now is 221.4 secs Computing kpt #: 145 total cpu time spent up to now is 222.6 secs Computing kpt #: 146 total cpu time spent up to now is 224.0 secs Computing kpt #: 147 total cpu time spent up to now is 225.3 secs Computing kpt #: 148 total cpu time spent up to now is 226.8 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.4 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.0 secs Computing kpt #: 151 total cpu time spent up to now is 234.4 secs Computing kpt #: 152 total cpu time spent up to now is 236.3 secs Computing kpt #: 153 total cpu time spent up to now is 238.1 secs Computing kpt #: 154 total cpu time spent up to now is 239.7 secs Computing kpt #: 155 total cpu time spent up to now is 241.2 secs Computing kpt #: 156 total cpu time spent up to now is 242.7 secs Computing kpt #: 157 total cpu time spent up to now is 244.2 secs Computing kpt #: 158 total cpu time spent up to now is 246.2 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.9 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.6 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.9 secs Computing kpt #: 163 total cpu time spent up to now is 259.1 secs Computing kpt #: 164 total cpu time spent up to now is 260.7 secs Computing kpt #: 165 total cpu time spent up to now is 262.5 secs Computing kpt #: 166 total cpu time spent up to now is 264.5 secs Computing kpt #: 167 total cpu time spent up to now is 266.1 secs Computing kpt #: 168 total cpu time spent up to now is 268.0 secs Computing kpt #: 169 total cpu time spent up to now is 269.8 secs Computing kpt #: 170 total cpu time spent up to now is 271.4 secs Computing kpt #: 171 total cpu time spent up to now is 273.3 secs Computing kpt #: 172 total cpu time spent up to now is 275.1 secs Computing kpt #: 173 total cpu time spent up to now is 277.0 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 279.7 secs Computing kpt #: 175 total cpu time spent up to now is 281.4 secs Computing kpt #: 176 total cpu time spent up to now is 283.5 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.1 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 291.4 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.0 secs Computing kpt #: 181 total cpu time spent up to now is 296.0 secs Computing kpt #: 182 total cpu time spent up to now is 297.8 secs Computing kpt #: 183 total cpu time spent up to now is 299.8 secs Computing kpt #: 184 total cpu time spent up to now is 301.2 secs Computing kpt #: 185 total cpu time spent up to now is 302.7 secs Computing kpt #: 186 total cpu time spent up to now is 304.1 secs Computing kpt #: 187 total cpu time spent up to now is 305.4 secs Computing kpt #: 188 total cpu time spent up to now is 306.6 secs Computing kpt #: 189 total cpu time spent up to now is 308.5 secs Computing kpt #: 190 total cpu time spent up to now is 310.2 secs Computing kpt #: 191 total cpu time spent up to now is 311.8 secs Computing kpt #: 192 total cpu time spent up to now is 313.6 secs Computing kpt #: 193 total cpu time spent up to now is 315.1 secs Computing kpt #: 194 total cpu time spent up to now is 316.5 secs Computing kpt #: 195 total cpu time spent up to now is 317.9 secs Computing kpt #: 196 total cpu time spent up to now is 319.3 secs Computing kpt #: 197 total cpu time spent up to now is 320.8 secs Computing kpt #: 198 total cpu time spent up to now is 322.2 secs Computing kpt #: 199 total cpu time spent up to now is 323.5 secs Computing kpt #: 200 total cpu time spent up to now is 324.8 secs Computing kpt #: 201 total cpu time spent up to now is 326.1 secs Computing kpt #: 202 total cpu time spent up to now is 327.5 secs Computing kpt #: 203 total cpu time spent up to now is 328.9 secs Computing kpt #: 204 total cpu time spent up to now is 330.3 secs Computing kpt #: 205 total cpu time spent up to now is 331.9 secs Computing kpt #: 206 total cpu time spent up to now is 333.7 secs Computing kpt #: 207 total cpu time spent up to now is 335.4 secs Computing kpt #: 208 total cpu time spent up to now is 337.2 secs Computing kpt #: 209 total cpu time spent up to now is 339.0 secs Computing kpt #: 210 total cpu time spent up to now is 340.5 secs Computing kpt #: 211 total cpu time spent up to now is 342.1 secs Computing kpt #: 212 total cpu time spent up to now is 343.7 secs Computing kpt #: 213 total cpu time spent up to now is 345.2 secs Computing kpt #: 214 total cpu time spent up to now is 346.7 secs Computing kpt #: 215 total cpu time spent up to now is 348.2 secs Computing kpt #: 216 total cpu time spent up to now is 349.6 secs Computing kpt #: 217 total cpu time spent up to now is 350.9 secs Computing kpt #: 218 total cpu time spent up to now is 352.2 secs Computing kpt #: 219 total cpu time spent up to now is 353.4 secs Computing kpt #: 220 total cpu time spent up to now is 354.6 secs Computing kpt #: 221 total cpu time spent up to now is 355.8 secs Computing kpt #: 222 total cpu time spent up to now is 356.9 secs Computing kpt #: 223 total cpu time spent up to now is 358.1 secs Computing kpt #: 224 total cpu time spent up to now is 359.3 secs Computing kpt #: 225 total cpu time spent up to now is 360.5 secs Computing kpt #: 226 total cpu time spent up to now is 361.7 secs Computing kpt #: 227 total cpu time spent up to now is 362.9 secs Computing kpt #: 228 total cpu time spent up to now is 364.0 secs Computing kpt #: 229 total cpu time spent up to now is 365.2 secs Computing kpt #: 230 total cpu time spent up to now is 366.4 secs Computing kpt #: 231 total cpu time spent up to now is 367.8 secs Computing kpt #: 232 total cpu time spent up to now is 369.3 secs Computing kpt #: 233 total cpu time spent up to now is 370.8 secs Computing kpt #: 234 total cpu time spent up to now is 372.3 secs Computing kpt #: 235 total cpu time spent up to now is 373.7 secs Computing kpt #: 236 total cpu time spent up to now is 375.2 secs Computing kpt #: 237 total cpu time spent up to now is 376.7 secs Computing kpt #: 238 total cpu time spent up to now is 378.2 secs Computing kpt #: 239 total cpu time spent up to now is 379.6 secs Computing kpt #: 240 total cpu time spent up to now is 381.1 secs Computing kpt #: 241 total cpu time spent up to now is 382.6 secs Computing kpt #: 242 total cpu time spent up to now is 384.1 secs Computing kpt #: 243 total cpu time spent up to now is 385.6 secs Computing kpt #: 244 total cpu time spent up to now is 387.1 secs Computing kpt #: 245 total cpu time spent up to now is 388.6 secs Computing kpt #: 246 total cpu time spent up to now is 390.1 secs Computing kpt #: 247 total cpu time spent up to now is 391.6 secs Computing kpt #: 248 total cpu time spent up to now is 393.1 secs Computing kpt #: 249 total cpu time spent up to now is 394.5 secs Computing kpt #: 250 total cpu time spent up to now is 396.0 secs Computing kpt #: 251 total cpu time spent up to now is 397.5 secs Computing kpt #: 252 total cpu time spent up to now is 399.0 secs Computing kpt #: 253 total cpu time spent up to now is 400.5 secs Computing kpt #: 254 total cpu time spent up to now is 401.9 secs Computing kpt #: 255 total cpu time spent up to now is 403.2 secs Computing kpt #: 256 total cpu time spent up to now is 404.5 secs Computing kpt #: 257 total cpu time spent up to now is 405.8 secs Computing kpt #: 258 total cpu time spent up to now is 407.2 secs Computing kpt #: 259 total cpu time spent up to now is 408.4 secs Computing kpt #: 260 total cpu time spent up to now is 409.8 secs Computing kpt #: 261 total cpu time spent up to now is 411.0 secs Computing kpt #: 262 total cpu time spent up to now is 412.4 secs Computing kpt #: 263 total cpu time spent up to now is 413.6 secs Computing kpt #: 264 total cpu time spent up to now is 414.8 secs Computing kpt #: 265 total cpu time spent up to now is 416.1 secs Computing kpt #: 266 total cpu time spent up to now is 417.3 secs Computing kpt #: 267 total cpu time spent up to now is 418.6 secs Computing kpt #: 268 total cpu time spent up to now is 419.8 secs Computing kpt #: 269 total cpu time spent up to now is 421.2 secs Computing kpt #: 270 total cpu time spent up to now is 422.6 secs ethr = 2.08E-08, avg # of iterations = 53.6 total cpu time spent up to now is 422.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8679 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2990 -17.2990 -17.2793 -17.2793 -17.2168 -17.2168 -7.8143 -7.8143 -7.7380 -7.7380 -6.9549 -6.9549 -6.9466 -6.9466 -6.8834 -6.8834 -6.8358 -6.8358 -3.5840 -3.5840 -3.1335 -3.1335 2.6162 2.6162 3.4071 3.4071 3.6814 3.6814 3.8158 3.8158 3.9606 3.9606 3.9739 3.9739 5.5809 5.5809 6.2298 6.2298 6.3336 6.3336 6.3995 6.3995 7.6922 7.6922 k = 0.0000 0.0167-0.0000 ( 8649 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6820 -17.6820 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8143 -7.8143 -7.7381 -7.7381 -6.9548 -6.9548 -6.9467 -6.9467 -6.8834 -6.8834 -6.8359 -6.8359 -3.5833 -3.5833 -3.1334 -3.1334 2.6173 2.6173 3.4057 3.4057 3.6797 3.6797 3.8140 3.8140 3.9600 3.9600 3.9709 3.9709 5.5882 5.5882 6.2335 6.2335 6.3341 6.3341 6.3992 6.3992 7.6912 7.6912 k = 0.0000 0.0333-0.0000 ( 8645 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6819 -17.6819 -17.6360 -17.6360 -17.3146 -17.3146 -17.2989 -17.2989 -17.2794 -17.2794 -17.2171 -17.2171 -7.8142 -7.8142 -7.7383 -7.7383 -6.9548 -6.9548 -6.9469 -6.9469 -6.8833 -6.8833 -6.8362 -6.8362 -3.5813 -3.5813 -3.1332 -3.1332 2.6208 2.6208 3.4014 3.4014 3.6747 3.6747 3.8088 3.8088 3.9582 3.9582 3.9627 3.9627 5.6096 5.6096 6.2445 6.2445 6.3356 6.3356 6.3983 6.3983 7.6881 7.6881 k = 0.0000 0.0500-0.0000 ( 8649 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0709 -23.0709 -23.0554 -23.0554 -17.6818 -17.6818 -17.6361 -17.6361 -17.3143 -17.3143 -17.2989 -17.2989 -17.2796 -17.2796 -17.2174 -17.2174 -7.8141 -7.8141 -7.7387 -7.7387 -6.9547 -6.9547 -6.9472 -6.9472 -6.8831 -6.8831 -6.8367 -6.8367 -3.5779 -3.5779 -3.1327 -3.1327 2.6265 2.6265 3.3938 3.3938 3.6657 3.6657 3.8003 3.8003 3.9492 3.9492 3.9571 3.9571 5.6445 5.6445 6.2625 6.2625 6.3382 6.3382 6.3969 6.3969 7.6830 7.6830 k = 0.0000 0.0667-0.0000 ( 8652 PWs) bands (ev): -36.3852 -36.3852 -36.3708 -36.3708 -23.0709 -23.0709 -23.0555 -23.0555 -17.6815 -17.6815 -17.6363 -17.6363 -17.3139 -17.3139 -17.2988 -17.2988 -17.2797 -17.2797 -17.2180 -17.2180 -7.8139 -7.8139 -7.7393 -7.7393 -6.9546 -6.9546 -6.9476 -6.9476 -6.8829 -6.8829 -6.8374 -6.8374 -3.5732 -3.5732 -3.1321 -3.1321 2.6344 2.6344 3.3828 3.3828 3.6521 3.6521 3.7888 3.7888 3.9345 3.9345 3.9549 3.9549 5.6913 5.6913 6.2870 6.2870 6.3418 6.3418 6.3950 6.3950 7.6757 7.6757 k = 0.0000 0.0833-0.0000 ( 8668 PWs) bands (ev): -36.3851 -36.3851 -36.3709 -36.3709 -23.0708 -23.0708 -23.0556 -23.0556 -17.6812 -17.6812 -17.6366 -17.6366 -17.3134 -17.3134 -17.2988 -17.2988 -17.2799 -17.2799 -17.2186 -17.2186 -7.8137 -7.8137 -7.7401 -7.7401 -6.9546 -6.9546 -6.9480 -6.9480 -6.8826 -6.8826 -6.8383 -6.8383 -3.5672 -3.5672 -3.1314 -3.1314 2.6444 2.6444 3.3678 3.3678 3.6328 3.6328 3.7755 3.7755 3.9191 3.9191 3.9533 3.9533 5.7488 5.7488 6.3174 6.3174 6.3465 6.3465 6.3928 6.3928 7.6663 7.6663 k = 0.0000 0.1000-0.0000 ( 8656 PWs) bands (ev): -36.3850 -36.3850 -36.3710 -36.3710 -23.0706 -23.0706 -23.0557 -23.0557 -17.6809 -17.6809 -17.6369 -17.6369 -17.3127 -17.3127 -17.2987 -17.2987 -17.2802 -17.2802 -17.2195 -17.2195 -7.8135 -7.8135 -7.7410 -7.7410 -6.9546 -6.9546 -6.9485 -6.9485 -6.8822 -6.8822 -6.8393 -6.8393 -3.5600 -3.5600 -3.1306 -3.1306 2.6563 2.6563 3.3485 3.3485 3.6072 3.6072 3.7621 3.7621 3.9047 3.9047 3.9524 3.9524 5.8152 5.8152 6.3521 6.3521 6.3527 6.3527 6.3908 6.3908 7.6546 7.6546 k = 0.0000 0.1167-0.0000 ( 8654 PWs) bands (ev): -36.3849 -36.3849 -36.3711 -36.3711 -23.0705 -23.0705 -23.0558 -23.0558 -17.6804 -17.6804 -17.6372 -17.6372 -17.3119 -17.3119 -17.2986 -17.2986 -17.2804 -17.2804 -17.2204 -17.2204 -7.8132 -7.8132 -7.7420 -7.7420 -6.9546 -6.9546 -6.9489 -6.9489 -6.8819 -6.8819 -6.8404 -6.8404 -3.5515 -3.5515 -3.1297 -3.1297 2.6699 2.6699 3.3248 3.3248 3.5753 3.5753 3.7500 3.7500 3.8919 3.8919 3.9525 3.9525 5.8892 5.8892 6.3591 6.3591 6.3811 6.3811 6.3998 6.3998 7.6405 7.6405 k = 0.0000 0.1333-0.0000 ( 8650 PWs) bands (ev): -36.3847 -36.3847 -36.3713 -36.3713 -23.0703 -23.0703 -23.0559 -23.0559 -17.6799 -17.6799 -17.6376 -17.6376 -17.3110 -17.3110 -17.2985 -17.2985 -17.2808 -17.2808 -17.2215 -17.2215 -7.8128 -7.8128 -7.7432 -7.7432 -6.9548 -6.9548 -6.9492 -6.9492 -6.8815 -6.8815 -6.8417 -6.8417 -3.5419 -3.5419 -3.1288 -3.1288 2.6851 2.6851 3.2965 3.2965 3.5380 3.5380 3.7400 3.7400 3.8810 3.8810 3.9536 3.9536 5.9693 5.9693 6.3671 6.3671 6.3813 6.3813 6.4410 6.4410 7.6240 7.6240 k = 0.0000 0.1500-0.0000 ( 8650 PWs) bands (ev): -36.3846 -36.3846 -36.3714 -36.3714 -23.0701 -23.0701 -23.0561 -23.0561 -17.6794 -17.6794 -17.6381 -17.6381 -17.3100 -17.3100 -17.2984 -17.2984 -17.2811 -17.2811 -17.2227 -17.2227 -7.8124 -7.8124 -7.7445 -7.7445 -6.9552 -6.9552 -6.9494 -6.9494 -6.8811 -6.8811 -6.8431 -6.8431 -3.5312 -3.5312 -3.1279 -3.1279 2.7013 2.7013 3.2641 3.2641 3.4971 3.4971 3.7322 3.7322 3.8718 3.8718 3.9556 3.9556 6.0544 6.0544 6.3763 6.3763 6.3785 6.3785 6.4884 6.4884 7.6050 7.6050 k = 0.0000 0.1667-0.0000 ( 8646 PWs) bands (ev): -36.3844 -36.3844 -36.3716 -36.3716 -23.0699 -23.0699 -23.0563 -23.0563 -17.6787 -17.6787 -17.6386 -17.6386 -17.3089 -17.3089 -17.2983 -17.2983 -17.2815 -17.2815 -17.2240 -17.2240 -7.8119 -7.8119 -7.7460 -7.7460 -6.9557 -6.9557 -6.9495 -6.9495 -6.8808 -6.8808 -6.8446 -6.8446 -3.5195 -3.5195 -3.1270 -3.1270 2.7183 2.7183 3.2279 3.2279 3.4544 3.4544 3.7265 3.7265 3.8641 3.8641 3.9585 3.9585 6.1429 6.1429 6.3759 6.3759 6.3866 6.3866 6.5386 6.5386 7.5834 7.5834 k = 0.0000 0.1833-0.0000 ( 8644 PWs) bands (ev): -36.3842 -36.3842 -36.3718 -36.3718 -23.0696 -23.0696 -23.0564 -23.0564 -17.6781 -17.6781 -17.6392 -17.6392 -17.3077 -17.3077 -17.2981 -17.2981 -17.2819 -17.2819 -17.2255 -17.2255 -7.8114 -7.8114 -7.7476 -7.7476 -6.9564 -6.9564 -6.9495 -6.9495 -6.8804 -6.8804 -6.8461 -6.8461 -3.5068 -3.5068 -3.1263 -3.1263 2.7353 2.7353 3.1888 3.1888 3.4118 3.4118 3.7224 3.7224 3.8578 3.8578 3.9621 3.9621 6.2330 6.2330 6.3749 6.3749 6.3982 6.3982 6.5907 6.5907 7.5592 7.5592 k = 0.0000 0.2000-0.0000 ( 8640 PWs) bands (ev): -36.3840 -36.3840 -36.3720 -36.3720 -23.0694 -23.0694 -23.0566 -23.0566 -17.6773 -17.6773 -17.6398 -17.6398 -17.3064 -17.3064 -17.2980 -17.2980 -17.2824 -17.2824 -17.2271 -17.2271 -7.8108 -7.8108 -7.7493 -7.7493 -6.9571 -6.9571 -6.9494 -6.9494 -6.8801 -6.8801 -6.8477 -6.8477 -3.4933 -3.4933 -3.1258 -3.1258 2.7516 2.7516 3.1473 3.1473 3.3710 3.3710 3.7196 3.7196 3.8525 3.8525 3.9661 3.9661 6.3160 6.3160 6.3832 6.3832 6.4112 6.4112 6.6438 6.6438 7.5324 7.5324 k = 0.0000 0.2167-0.0000 ( 8638 PWs) bands (ev): -36.3837 -36.3837 -36.3723 -36.3723 -23.0691 -23.0691 -23.0569 -23.0569 -17.6765 -17.6765 -17.6405 -17.6405 -17.3050 -17.3050 -17.2978 -17.2978 -17.2829 -17.2829 -17.2288 -17.2288 -7.8102 -7.8102 -7.7511 -7.7511 -6.9578 -6.9578 -6.9493 -6.9493 -6.8798 -6.8798 -6.8493 -6.8493 -3.4790 -3.4790 -3.1255 -3.1255 2.7660 2.7660 3.1044 3.1044 3.3339 3.3339 3.7177 3.7177 3.8482 3.8482 3.9705 3.9705 6.3501 6.3501 6.4240 6.4240 6.4439 6.4439 6.6972 6.6972 7.5032 7.5032 k = 0.0000 0.2333-0.0000 ( 8638 PWs) bands (ev): -36.3835 -36.3835 -36.3725 -36.3725 -23.0688 -23.0688 -23.0571 -23.0571 -17.6757 -17.6757 -17.6412 -17.6412 -17.3035 -17.3035 -17.2976 -17.2976 -17.2833 -17.2833 -17.2306 -17.2306 -7.8095 -7.8095 -7.7530 -7.7530 -6.9586 -6.9586 -6.9492 -6.9492 -6.8796 -6.8796 -6.8509 -6.8509 -3.4640 -3.4640 -3.1255 -3.1255 2.7774 2.7774 3.0606 3.0606 3.3024 3.3024 3.7163 3.7163 3.8447 3.8447 3.9749 3.9749 6.3535 6.3535 6.4401 6.4401 6.5344 6.5344 6.7499 6.7499 7.4718 7.4718 k = 0.0000 0.2500-0.0000 ( 8644 PWs) bands (ev): -36.3832 -36.3832 -36.3728 -36.3728 -23.0685 -23.0685 -23.0574 -23.0574 -17.6748 -17.6748 -17.6420 -17.6420 -17.3020 -17.3020 -17.2974 -17.2974 -17.2839 -17.2839 -17.2325 -17.2325 -7.8087 -7.8087 -7.7549 -7.7549 -6.9593 -6.9593 -6.9491 -6.9491 -6.8793 -6.8793 -6.8525 -6.8525 -3.4484 -3.4484 -3.1259 -3.1259 2.7842 2.7842 3.0168 3.0168 3.2782 3.2782 3.7152 3.7152 3.8419 3.8419 3.9792 3.9792 6.3535 6.3535 6.4569 6.4569 6.6294 6.6294 6.8009 6.8009 7.4386 7.4386 k = 0.0000 0.2667-0.0000 ( 8638 PWs) bands (ev): -36.3829 -36.3829 -36.3731 -36.3731 -23.0681 -23.0681 -23.0576 -23.0576 -17.6739 -17.6739 -17.6428 -17.6428 -17.3004 -17.3004 -17.2971 -17.2971 -17.2844 -17.2844 -17.2344 -17.2344 -7.8078 -7.8078 -7.7570 -7.7570 -6.9599 -6.9599 -6.9492 -6.9492 -6.8791 -6.8791 -6.8540 -6.8540 -3.4323 -3.4323 -3.1267 -3.1267 2.7854 2.7854 2.9734 2.9734 3.2630 3.2630 3.7141 3.7141 3.8397 3.8397 3.9829 3.9829 6.3536 6.3536 6.4750 6.4750 6.7239 6.7239 6.8492 6.8492 7.4044 7.4044 k = 0.0000 0.2833-0.0000 ( 8636 PWs) bands (ev): -36.3826 -36.3826 -36.3733 -36.3733 -23.0678 -23.0678 -23.0579 -23.0579 -17.6730 -17.6730 -17.6436 -17.6436 -17.2989 -17.2989 -17.2966 -17.2966 -17.2849 -17.2849 -17.2365 -17.2365 -7.8069 -7.8069 -7.7591 -7.7591 -6.9605 -6.9605 -6.9493 -6.9493 -6.8788 -6.8788 -6.8555 -6.8555 -3.4158 -3.4158 -3.1280 -3.1280 2.7802 2.7802 2.9310 2.9310 3.2577 3.2577 3.7128 3.7128 3.8381 3.8381 3.9858 3.9858 6.3546 6.3546 6.4945 6.4945 6.8150 6.8150 6.8937 6.8937 7.3703 7.3703 k = 0.0000 0.3000-0.0000 ( 8644 PWs) bands (ev): -36.3823 -36.3823 -36.3736 -36.3736 -23.0674 -23.0674 -23.0582 -23.0582 -17.6720 -17.6720 -17.6445 -17.6445 -17.2978 -17.2978 -17.2956 -17.2956 -17.2854 -17.2854 -17.2387 -17.2387 -7.8059 -7.8059 -7.7613 -7.7613 -6.9610 -6.9610 -6.9495 -6.9495 -6.8786 -6.8786 -6.8569 -6.8569 -3.3991 -3.3991 -3.1299 -3.1299 2.7691 2.7691 2.8899 2.8899 3.2619 3.2619 3.7112 3.7112 3.8371 3.8371 3.9876 3.9876 6.3572 6.3572 6.5153 6.5153 6.8977 6.8977 6.9347 6.9347 7.3386 7.3386 k = 0.0000 0.3167-0.0000 ( 8642 PWs) bands (ev): -36.3820 -36.3820 -36.3740 -36.3740 -23.0671 -23.0671 -23.0585 -23.0585 -17.6709 -17.6709 -17.6455 -17.6455 -17.2971 -17.2971 -17.2941 -17.2941 -17.2859 -17.2859 -17.2409 -17.2409 -7.8048 -7.8048 -7.7635 -7.7635 -6.9614 -6.9614 -6.9498 -6.9498 -6.8783 -6.8783 -6.8583 -6.8583 -3.3822 -3.3822 -3.1323 -3.1323 2.7533 2.7533 2.8507 2.8507 3.2748 3.2748 3.7091 3.7091 3.8366 3.8366 3.9879 3.9879 6.3617 6.3617 6.5376 6.5376 6.9525 6.9525 6.9845 6.9845 7.3139 7.3140 k = 0.0000 0.3333-0.0000 ( 8658 PWs) bands (ev): -36.3817 -36.3817 -36.3743 -36.3743 -23.0667 -23.0667 -23.0588 -23.0588 -17.6698 -17.6698 -17.6465 -17.6465 -17.2967 -17.2967 -17.2924 -17.2924 -17.2864 -17.2864 -17.2432 -17.2432 -7.8037 -7.8037 -7.7657 -7.7657 -6.9617 -6.9617 -6.9502 -6.9502 -6.8780 -6.8780 -6.8596 -6.8596 -3.3652 -3.3652 -3.1355 -3.1355 2.7342 2.7342 2.8135 2.8135 3.2947 3.2947 3.7064 3.7064 3.8367 3.8367 3.9865 3.9865 6.3685 6.3685 6.5614 6.5614 6.9784 6.9784 7.0324 7.0324 7.3053 7.3054 k = 0.0000 0.3500-0.0000 ( 8656 PWs) bands (ev): -36.3813 -36.3813 -36.3746 -36.3746 -23.0663 -23.0663 -23.0592 -23.0592 -17.6687 -17.6687 -17.6475 -17.6475 -17.2963 -17.2963 -17.2906 -17.2906 -17.2867 -17.2867 -17.2456 -17.2456 -7.8024 -7.8024 -7.7680 -7.7680 -6.9618 -6.9618 -6.9507 -6.9507 -6.8776 -6.8776 -6.8609 -6.8609 -3.3482 -3.3482 -3.1394 -3.1394 2.7136 2.7136 2.7787 2.7787 3.3200 3.3200 3.7029 3.7029 3.8374 3.8374 3.9832 3.9832 6.3782 6.3782 6.5866 6.5866 6.9929 6.9929 7.0490 7.0490 7.2871 7.2874 k = 0.0000 0.3667-0.0000 ( 8658 PWs) bands (ev): -36.3810 -36.3810 -36.3750 -36.3750 -23.0659 -23.0659 -23.0595 -23.0595 -17.6676 -17.6676 -17.6485 -17.6485 -17.2960 -17.2960 -17.2894 -17.2894 -17.2863 -17.2863 -17.2480 -17.2480 -7.8011 -7.8011 -7.7703 -7.7703 -6.9619 -6.9619 -6.9514 -6.9514 -6.8772 -6.8772 -6.8622 -6.8622 -3.3314 -3.3314 -3.1441 -3.1441 2.6929 2.6929 2.7465 2.7465 3.3491 3.3491 3.6984 3.6984 3.8387 3.8387 3.9779 3.9779 6.3911 6.3911 6.6133 6.6133 6.9974 6.9974 7.0375 7.0375 7.2379 7.2379 k = 0.0000 0.3833-0.0000 ( 8650 PWs) bands (ev): -36.3806 -36.3806 -36.3753 -36.3753 -23.0655 -23.0655 -23.0599 -23.0599 -17.6664 -17.6664 -17.6496 -17.6496 -17.2956 -17.2956 -17.2892 -17.2892 -17.2848 -17.2848 -17.2505 -17.2505 -7.7997 -7.7997 -7.7726 -7.7726 -6.9618 -6.9618 -6.9521 -6.9521 -6.8767 -6.8767 -6.8634 -6.8634 -3.3148 -3.3148 -3.1496 -3.1496 2.6731 2.6731 2.7173 2.7173 3.3807 3.3807 3.6928 3.6928 3.8409 3.8409 3.9705 3.9705 6.4075 6.4075 6.6414 6.6414 6.9807 6.9807 7.0247 7.0247 7.1889 7.1889 k = 0.0000 0.4000-0.0000 ( 8658 PWs) bands (ev): -36.3802 -36.3802 -36.3757 -36.3757 -23.0651 -23.0651 -23.0603 -23.0603 -17.6652 -17.6652 -17.6508 -17.6508 -17.2952 -17.2952 -17.2895 -17.2895 -17.2828 -17.2828 -17.2530 -17.2530 -7.7982 -7.7982 -7.7748 -7.7748 -6.9616 -6.9616 -6.9529 -6.9529 -6.8761 -6.8761 -6.8646 -6.8646 -3.2985 -3.2985 -3.1559 -3.1559 2.6550 2.6550 2.6912 2.6912 3.4138 3.4138 3.6858 3.6858 3.8439 3.8439 3.9611 3.9611 6.4277 6.4277 6.6711 6.6711 6.9408 6.9408 7.0243 7.0243 7.1410 7.1410 k = 0.0000 0.4167-0.0000 ( 8662 PWs) bands (ev): -36.3799 -36.3799 -36.3761 -36.3761 -23.0647 -23.0647 -23.0606 -23.0606 -17.6640 -17.6640 -17.6519 -17.6519 -17.2948 -17.2948 -17.2900 -17.2900 -17.2805 -17.2805 -17.2555 -17.2555 -7.7967 -7.7967 -7.7771 -7.7771 -6.9613 -6.9613 -6.9537 -6.9537 -6.8754 -6.8754 -6.8657 -6.8657 -3.2827 -3.2827 -3.1632 -3.1632 2.6393 2.6393 2.6684 2.6684 3.4474 3.4474 3.6771 3.6771 3.8478 3.8478 3.9501 3.9501 6.4521 6.4521 6.7022 6.7022 6.8922 6.8922 7.0280 7.0280 7.0944 7.0944 k = 0.0000 0.4333-0.0000 ( 8652 PWs) bands (ev): -36.3795 -36.3795 -36.3764 -36.3764 -23.0643 -23.0643 -23.0610 -23.0610 -17.6628 -17.6628 -17.6531 -17.6531 -17.2944 -17.2944 -17.2905 -17.2905 -17.2782 -17.2782 -17.2580 -17.2580 -7.7950 -7.7950 -7.7793 -7.7793 -6.9609 -6.9609 -6.9546 -6.9546 -6.8747 -6.8747 -6.8669 -6.8669 -3.2674 -3.2674 -3.1713 -3.1713 2.6264 2.6264 2.6491 2.6491 3.4807 3.4807 3.6663 3.6663 3.8529 3.8529 3.9379 3.9379 6.4808 6.4808 6.7347 6.7347 6.8405 6.8405 7.0341 7.0341 7.0492 7.0492 k = 0.0000 0.4500-0.0000 ( 8636 PWs) bands (ev): -36.3791 -36.3791 -36.3768 -36.3768 -23.0639 -23.0639 -23.0614 -23.0614 -17.6616 -17.6616 -17.6542 -17.6542 -17.2939 -17.2939 -17.2910 -17.2910 -17.2757 -17.2757 -17.2606 -17.2606 -7.7933 -7.7933 -7.7814 -7.7814 -6.9603 -6.9603 -6.9555 -6.9555 -6.8739 -6.8739 -6.8680 -6.8680 -3.2527 -3.2527 -3.1803 -3.1803 2.6167 2.6167 2.6334 2.6334 3.5128 3.5128 3.6532 3.6532 3.8593 3.8593 3.9248 3.9248 6.5137 6.5137 6.7675 6.7675 6.7891 6.7891 7.0046 7.0046 7.0439 7.0439 k = 0.0000 0.4667-0.0000 ( 8638 PWs) bands (ev): -36.3787 -36.3787 -36.3772 -36.3772 -23.0635 -23.0635 -23.0618 -23.0618 -17.6603 -17.6603 -17.6554 -17.6554 -17.2935 -17.2935 -17.2915 -17.2915 -17.2733 -17.2733 -17.2631 -17.2631 -7.7915 -7.7915 -7.7836 -7.7836 -6.9597 -6.9597 -6.9564 -6.9564 -6.8730 -6.8730 -6.8691 -6.8691 -3.2386 -3.2386 -3.1903 -3.1903 2.6103 2.6103 2.6213 2.6213 3.5432 3.5432 3.6373 3.6373 3.8671 3.8671 3.9116 3.9116 6.5508 6.5508 6.7347 6.7347 6.8053 6.8053 6.9619 6.9619 7.0561 7.0561 k = 0.0000 0.4833-0.0000 ( 8642 PWs) bands (ev): -36.3783 -36.3783 -36.3776 -36.3776 -23.0630 -23.0630 -23.0622 -23.0622 -17.6591 -17.6591 -17.6566 -17.6566 -17.2930 -17.2930 -17.2920 -17.2920 -17.2708 -17.2708 -17.2657 -17.2657 -7.7896 -7.7896 -7.7856 -7.7856 -6.9590 -6.9590 -6.9573 -6.9573 -6.8721 -6.8721 -6.8701 -6.8701 -3.2253 -3.2253 -3.2011 -3.2011 2.6075 2.6075 2.6130 2.6130 3.5712 3.5712 3.6184 3.6184 3.8763 3.8763 3.8988 3.8988 6.5919 6.5919 6.6845 6.6845 6.8421 6.8421 6.9205 6.9205 7.0716 7.0717 k = 0.0000 0.5000-0.0000 ( 8634 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9582 -6.9582 -6.9582 -6.9582 -6.8711 -6.8711 -6.8711 -6.8711 -3.2128 -3.2128 -3.2128 -3.2128 2.6084 2.6084 2.6084 2.6084 3.5964 3.5964 3.5964 3.5964 3.8869 3.8869 3.8869 3.8869 6.6367 6.6367 6.6367 6.6367 6.8806 6.8806 6.8806 6.8806 7.0907 7.0907 k = 0.0000 0.5000-0.0000 ( 8634 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9582 -6.9582 -6.9582 -6.9582 -6.8711 -6.8711 -6.8711 -6.8711 -3.2128 -3.2128 -3.2128 -3.2128 2.6084 2.6084 2.6084 2.6084 3.5964 3.5964 3.5964 3.5964 3.8869 3.8869 3.8869 3.8869 6.6367 6.6367 6.6367 6.6367 6.8806 6.8806 6.8806 6.8806 7.0907 7.0907 k = 0.0167 0.5000-0.0000 ( 8646 PWs) bands (ev): -36.3780 -36.3780 -36.3780 -36.3780 -23.0626 -23.0626 -23.0626 -23.0626 -17.6580 -17.6580 -17.6578 -17.6578 -17.2930 -17.2930 -17.2924 -17.2924 -17.2683 -17.2683 -17.2678 -17.2678 -7.7878 -7.7878 -7.7876 -7.7876 -6.9605 -6.9605 -6.9557 -6.9557 -6.8735 -6.8735 -6.8689 -6.8689 -3.2126 -3.2126 -3.2125 -3.2125 2.6067 2.6067 2.6101 2.6101 3.5933 3.5933 3.5995 3.5995 3.8856 3.8856 3.8864 3.8864 6.6248 6.6248 6.6249 6.6249 6.8916 6.8916 6.8925 6.8925 7.0879 7.0884 k = 0.0333 0.5000-0.0000 ( 8640 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6581 -17.6581 -17.6578 -17.6578 -17.2938 -17.2938 -17.2926 -17.2926 -17.2680 -17.2680 -17.2671 -17.2671 -7.7879 -7.7879 -7.7875 -7.7875 -6.9628 -6.9628 -6.9532 -6.9532 -6.8760 -6.8760 -6.8668 -6.8668 -3.2120 -3.2120 -3.2119 -3.2119 2.6049 2.6049 2.6118 2.6118 3.5903 3.5903 3.6028 3.6028 3.8824 3.8824 3.8842 3.8842 6.5944 6.5944 6.5945 6.5945 6.9205 6.9205 6.9223 6.9223 7.0836 7.0837 k = 0.0500 0.5000-0.0000 ( 8634 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6582 -17.6582 -17.6579 -17.6579 -17.2948 -17.2948 -17.2932 -17.2932 -17.2673 -17.2673 -17.2660 -17.2660 -7.7881 -7.7881 -7.7874 -7.7874 -6.9649 -6.9649 -6.9507 -6.9507 -6.8787 -6.8787 -6.8649 -6.8649 -3.2110 -3.2110 -3.2108 -3.2108 2.6031 2.6031 2.6134 2.6134 3.5871 3.5871 3.6063 3.6063 3.8773 3.8773 3.8808 3.8808 6.5535 6.5535 6.5537 6.5537 6.9585 6.9585 6.9617 6.9617 7.0781 7.0781 k = 0.0667 0.5000-0.0000 ( 8642 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6584 -17.6584 -17.6580 -17.6580 -17.2960 -17.2960 -17.2940 -17.2940 -17.2663 -17.2663 -17.2648 -17.2648 -7.7883 -7.7883 -7.7874 -7.7874 -6.9670 -6.9670 -6.9481 -6.9481 -6.8814 -6.8814 -6.8631 -6.8631 -3.2096 -3.2096 -3.2093 -3.2093 2.6011 2.6011 2.6150 2.6150 3.5835 3.5835 3.6100 3.6100 3.8707 3.8707 3.8764 3.8764 6.5073 6.5073 6.5075 6.5075 6.9985 6.9985 7.0046 7.0046 7.0736 7.0736 k = 0.0833 0.5000-0.0000 ( 8642 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6586 -17.6586 -17.6581 -17.6581 -17.2974 -17.2974 -17.2951 -17.2951 -17.2651 -17.2651 -17.2634 -17.2634 -7.7885 -7.7885 -7.7875 -7.7875 -6.9689 -6.9689 -6.9454 -6.9454 -6.8843 -6.8843 -6.8615 -6.8615 -3.2078 -3.2078 -3.2074 -3.2074 2.5990 2.5990 2.6162 2.6162 3.5792 3.5792 3.6138 3.6138 3.8629 3.8629 3.8717 3.8717 6.4585 6.4585 6.4587 6.4587 7.0262 7.0262 7.0407 7.0407 7.0817 7.0817 k = 0.1000 0.5000-0.0000 ( 8654 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6589 -17.6589 -17.6583 -17.6583 -17.2988 -17.2988 -17.2963 -17.2963 -17.2638 -17.2638 -17.2619 -17.2619 -7.7887 -7.7887 -7.7875 -7.7875 -6.9707 -6.9707 -6.9427 -6.9427 -6.8873 -6.8873 -6.8601 -6.8601 -3.2056 -3.2056 -3.2051 -3.2051 2.5966 2.5966 2.6172 2.6172 3.5742 3.5742 3.6175 3.6175 3.8544 3.8544 3.8673 3.8673 6.4085 6.4085 6.4086 6.4086 7.0255 7.0255 7.0462 7.0462 7.1170 7.1170 k = 0.1167 0.5000-0.0000 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6591 -17.6591 -17.6584 -17.6584 -17.3003 -17.3003 -17.2977 -17.2977 -17.2623 -17.2623 -17.2604 -17.2604 -7.7890 -7.7890 -7.7876 -7.7876 -6.9724 -6.9724 -6.9400 -6.9400 -6.8903 -6.8903 -6.8589 -6.8589 -3.2030 -3.2030 -3.2025 -3.2025 2.5939 2.5939 2.6177 2.6177 3.5683 3.5683 3.6209 3.6209 3.8458 3.8458 3.8636 3.8636 6.3581 6.3581 6.3581 6.3581 7.0122 7.0122 7.0344 7.0344 7.1634 7.1634 k = 0.1333 0.5000-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6595 -17.6595 -17.6587 -17.6587 -17.3018 -17.3018 -17.2991 -17.2991 -17.2607 -17.2607 -17.2588 -17.2588 -7.7892 -7.7892 -7.7877 -7.7877 -6.9740 -6.9740 -6.9373 -6.9373 -6.8935 -6.8935 -6.8578 -6.8578 -3.2002 -3.2002 -3.1996 -3.1996 2.5906 2.5906 2.6175 2.6175 3.5614 3.5614 3.6239 3.6239 3.8377 3.8377 3.8612 3.8612 6.3078 6.3078 6.3080 6.3080 6.9942 6.9942 7.0172 7.0172 7.2124 7.2124 k = 0.1500 0.5000-0.0000 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6598 -17.6598 -17.6589 -17.6589 -17.3033 -17.3033 -17.3005 -17.3005 -17.2590 -17.2590 -17.2571 -17.2571 -7.7895 -7.7895 -7.7878 -7.7878 -6.9754 -6.9754 -6.9346 -6.9346 -6.8966 -6.8966 -6.8569 -6.8569 -3.1970 -3.1970 -3.1963 -3.1963 2.5868 2.5868 2.6167 2.6167 3.5538 3.5538 3.6261 3.6261 3.8307 3.8307 3.8604 3.8604 6.2580 6.2580 6.2584 6.2584 6.9732 6.9732 6.9967 6.9967 7.2620 7.2620 k = 0.1667 0.5000-0.0000 ( 8670 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6601 -17.6601 -17.6592 -17.6592 -17.3048 -17.3048 -17.3020 -17.3020 -17.2574 -17.2574 -17.2555 -17.2555 -7.7897 -7.7897 -7.7879 -7.7879 -6.9767 -6.9767 -6.9319 -6.9319 -6.8998 -6.8998 -6.8562 -6.8562 -3.1936 -3.1936 -3.1928 -3.1928 2.5824 2.5824 2.6149 2.6149 3.5456 3.5456 3.6274 3.6274 3.8253 3.8253 3.8613 3.8613 6.2091 6.2091 6.2098 6.2098 6.9499 6.9499 6.9738 6.9738 7.3115 7.3115 k = 0.1833 0.5000-0.0000 ( 8674 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6605 -17.6605 -17.6595 -17.6595 -17.3063 -17.3063 -17.3035 -17.3035 -17.2557 -17.2557 -17.2539 -17.2539 -7.7900 -7.7900 -7.7881 -7.7881 -6.9778 -6.9778 -6.9293 -6.9293 -6.9029 -6.9029 -6.8557 -6.8557 -3.1899 -3.1899 -3.1891 -3.1891 2.5772 2.5772 2.6120 2.6120 3.5372 3.5372 3.6276 3.6276 3.8221 3.8221 3.8638 3.8638 6.1613 6.1613 6.1624 6.1624 6.9250 6.9250 6.9489 6.9489 7.3602 7.3602 k = 0.2000 0.5000-0.0000 ( 8658 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6608 -17.6608 -17.6598 -17.6598 -17.3077 -17.3077 -17.3049 -17.3049 -17.2540 -17.2540 -17.2523 -17.2523 -7.7903 -7.7903 -7.7883 -7.7883 -6.9788 -6.9788 -6.9269 -6.9269 -6.9058 -6.9058 -6.8553 -6.8553 -3.1860 -3.1860 -3.1852 -3.1852 2.5712 2.5712 2.6080 2.6080 3.5291 3.5291 3.6268 3.6268 3.8212 3.8212 3.8680 3.8680 6.1149 6.1149 6.1164 6.1164 6.8986 6.8986 6.9225 6.9225 7.4076 7.4076 k = 0.2167 0.5000-0.0000 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6612 -17.6612 -17.6602 -17.6602 -17.3090 -17.3090 -17.3063 -17.3063 -17.2524 -17.2524 -17.2507 -17.2507 -7.7906 -7.7906 -7.7886 -7.7886 -6.9795 -6.9795 -6.9248 -6.9248 -6.9084 -6.9084 -6.8551 -6.8551 -3.1820 -3.1820 -3.1812 -3.1812 2.5644 2.5644 2.6027 2.6027 3.5218 3.5218 3.6252 3.6252 3.8226 3.8226 3.8736 3.8736 6.0701 6.0701 6.0720 6.0720 6.8713 6.8713 6.8950 6.8950 7.4532 7.4532 k = 0.2333 0.5000-0.0000 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6616 -17.6616 -17.6606 -17.6606 -17.3104 -17.3104 -17.3077 -17.3077 -17.2508 -17.2508 -17.2492 -17.2492 -7.7908 -7.7908 -7.7888 -7.7888 -6.9802 -6.9802 -6.9236 -6.9236 -6.9103 -6.9103 -6.8551 -6.8551 -3.1779 -3.1779 -3.1770 -3.1770 2.5568 2.5568 2.5961 2.5961 3.5156 3.5156 3.6230 3.6230 3.8260 3.8260 3.8803 3.8803 6.0271 6.0271 6.0294 6.0294 6.8433 6.8433 6.8667 6.8667 7.4967 7.4967 k = 0.2500 0.5000-0.0000 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6620 -17.6620 -17.6609 -17.6609 -17.3116 -17.3116 -17.3090 -17.3090 -17.2493 -17.2493 -17.2478 -17.2478 -7.7911 -7.7911 -7.7891 -7.7891 -6.9806 -6.9806 -6.9238 -6.9238 -6.9107 -6.9107 -6.8553 -6.8553 -3.1737 -3.1737 -3.1729 -3.1729 2.5485 2.5485 2.5882 2.5882 3.5108 3.5108 3.6207 3.6207 3.8312 3.8312 3.8877 3.8877 5.9860 5.9860 5.9888 5.9888 6.8150 6.8150 6.8380 6.8380 7.5376 7.5376 k = 0.2667 0.5000-0.0000 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6624 -17.6624 -17.6613 -17.6613 -17.3128 -17.3128 -17.3103 -17.3103 -17.2479 -17.2479 -17.2464 -17.2464 -7.7914 -7.7914 -7.7893 -7.7893 -6.9809 -6.9809 -6.9254 -6.9254 -6.9097 -6.9097 -6.8556 -6.8556 -3.1695 -3.1695 -3.1686 -3.1686 2.5395 2.5395 2.5792 2.5792 3.5078 3.5078 3.6185 3.6185 3.8378 3.8378 3.8957 3.8957 5.9470 5.9470 5.9502 5.9502 6.7868 6.7868 6.8091 6.8091 7.5755 7.5755 k = 0.2833 0.5000-0.0000 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6627 -17.6627 -17.6617 -17.6617 -17.3139 -17.3139 -17.3115 -17.3115 -17.2464 -17.2464 -17.2451 -17.2451 -7.7916 -7.7916 -7.7896 -7.7896 -6.9809 -6.9809 -6.9279 -6.9279 -6.9078 -6.9078 -6.8561 -6.8561 -3.1653 -3.1653 -3.1645 -3.1645 2.5301 2.5301 2.5691 2.5691 3.5066 3.5066 3.6167 3.6167 3.8454 3.8454 3.9040 3.9040 5.9103 5.9103 5.9140 5.9140 6.7589 6.7589 6.7805 6.7805 7.6101 7.6101 k = 0.3000 0.5000-0.0000 ( 8668 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6631 -17.6631 -17.6621 -17.6621 -17.3149 -17.3149 -17.3127 -17.3127 -17.2451 -17.2451 -17.2439 -17.2439 -7.7919 -7.7919 -7.7899 -7.7899 -6.9808 -6.9808 -6.9308 -6.9308 -6.9055 -6.9055 -6.8568 -6.8568 -3.1612 -3.1612 -3.1604 -3.1604 2.5203 2.5203 2.5581 2.5581 3.5073 3.5073 3.6154 3.6154 3.8537 3.8537 3.9121 3.9121 5.8760 5.8760 5.8801 5.8801 6.7316 6.7316 6.7524 6.7524 7.6413 7.6415 k = 0.3167 0.5000-0.0000 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6634 -17.6634 -17.6624 -17.6624 -17.3158 -17.3158 -17.3137 -17.3137 -17.2439 -17.2439 -17.2427 -17.2427 -7.7921 -7.7921 -7.7902 -7.7902 -6.9805 -6.9805 -6.9339 -6.9339 -6.9029 -6.9029 -6.8576 -6.8576 -3.1572 -3.1572 -3.1564 -3.1564 2.5104 2.5104 2.5465 2.5465 3.5099 3.5099 3.6146 3.6146 3.8623 3.8623 3.9200 3.9200 5.8443 5.8443 5.8487 5.8487 6.7052 6.7052 6.7250 6.7250 7.6729 7.6745 k = 0.3333 0.5000-0.0000 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6637 -17.6637 -17.6628 -17.6628 -17.3167 -17.3167 -17.3148 -17.3148 -17.2427 -17.2427 -17.2417 -17.2417 -7.7923 -7.7923 -7.7905 -7.7905 -6.9801 -6.9801 -6.9371 -6.9371 -6.9003 -6.9003 -6.8586 -6.8586 -3.1534 -3.1534 -3.1527 -3.1527 2.5005 2.5005 2.5346 2.5346 3.5141 3.5141 3.6143 3.6143 3.8711 3.8711 3.9272 3.9272 5.8151 5.8151 5.8198 5.8198 6.6801 6.6801 6.6988 6.6988 7.6928 7.6971 k = 0.3500 0.5000-0.0000 ( 8682 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6640 -17.6640 -17.6631 -17.6631 -17.3175 -17.3175 -17.3157 -17.3157 -17.2416 -17.2416 -17.2407 -17.2407 -7.7925 -7.7925 -7.7908 -7.7908 -6.9794 -6.9794 -6.9403 -6.9403 -6.8977 -6.8977 -6.8597 -6.8597 -3.1498 -3.1498 -3.1491 -3.1491 2.4910 2.4910 2.5225 2.5225 3.5199 3.5199 3.6143 3.6143 3.8799 3.8799 3.9338 3.9338 5.7887 5.7887 5.7936 5.7936 6.6565 6.6565 6.6739 6.6739 7.7150 7.7157 k = 0.3667 0.5000-0.0000 ( 8680 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6642 -17.6642 -17.6635 -17.6635 -17.3182 -17.3182 -17.3166 -17.3166 -17.2407 -17.2407 -17.2398 -17.2398 -7.7926 -7.7926 -7.7911 -7.7911 -6.9785 -6.9785 -6.9434 -6.9434 -6.8950 -6.8950 -6.8609 -6.8609 -3.1464 -3.1464 -3.1458 -3.1458 2.4819 2.4819 2.5106 2.5106 3.5269 3.5269 3.6145 3.6145 3.8885 3.8885 3.9393 3.9393 5.7652 5.7652 5.7700 5.7700 6.6346 6.6346 6.6506 6.6506 7.7301 7.7308 k = 0.3833 0.5000-0.0000 ( 8680 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6645 -17.6645 -17.6638 -17.6638 -17.3187 -17.3187 -17.3173 -17.3173 -17.2398 -17.2398 -17.2391 -17.2391 -7.7927 -7.7927 -7.7914 -7.7914 -6.9775 -6.9775 -6.9465 -6.9465 -6.8924 -6.8924 -6.8623 -6.8623 -3.1434 -3.1434 -3.1428 -3.1428 2.4736 2.4736 2.4992 2.4992 3.5349 3.5349 3.6145 3.6145 3.8969 3.8969 3.9438 3.9438 5.7444 5.7444 5.7492 5.7492 6.6148 6.6148 6.6292 6.6292 7.7417 7.7420 k = 0.4000 0.5000-0.0000 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6646 -17.6646 -17.6640 -17.6640 -17.3192 -17.3192 -17.3180 -17.3180 -17.2390 -17.2390 -17.2384 -17.2384 -7.7928 -7.7928 -7.7916 -7.7916 -6.9763 -6.9763 -6.9495 -6.9495 -6.8898 -6.8898 -6.8638 -6.8638 -3.1406 -3.1406 -3.1401 -3.1401 2.4662 2.4662 2.4885 2.4885 3.5436 3.5436 3.6141 3.6141 3.9049 3.9049 3.9472 3.9472 5.7266 5.7266 5.7311 5.7311 6.5972 6.5972 6.6099 6.6099 7.7493 7.7501 k = 0.4167 0.5000-0.0000 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6648 -17.6648 -17.6643 -17.6643 -17.3196 -17.3196 -17.3186 -17.3186 -17.2383 -17.2383 -17.2378 -17.2378 -7.7929 -7.7929 -7.7919 -7.7919 -6.9749 -6.9749 -6.9525 -6.9525 -6.8872 -6.8872 -6.8655 -6.8655 -3.1382 -3.1382 -3.1378 -3.1378 2.4599 2.4599 2.4787 2.4787 3.5527 3.5527 3.6132 3.6132 3.9125 3.9125 3.9493 3.9493 5.7116 5.7116 5.7157 5.7157 6.5821 6.5821 6.5929 6.5929 7.7554 7.7559 k = 0.4333 0.5000-0.0000 ( 8662 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6649 -17.6649 -17.6645 -17.6645 -17.3199 -17.3199 -17.3191 -17.3191 -17.2378 -17.2378 -17.2374 -17.2374 -7.7929 -7.7929 -7.7921 -7.7921 -6.9734 -6.9734 -6.9553 -6.9553 -6.8847 -6.8847 -6.8672 -6.8672 -3.1362 -3.1362 -3.1358 -3.1358 2.4549 2.4549 2.4701 2.4701 3.5619 3.5619 3.6115 3.6115 3.9196 3.9196 3.9501 3.9501 5.6995 5.6995 5.7030 5.7030 6.5696 6.5696 6.5785 6.5785 7.7591 7.7594 k = 0.4500 0.5000-0.0000 ( 8670 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6647 -17.6647 -17.3202 -17.3202 -17.3195 -17.3195 -17.2373 -17.2373 -17.2370 -17.2370 -7.7929 -7.7929 -7.7923 -7.7923 -6.9716 -6.9716 -6.9580 -6.9580 -6.8823 -6.8823 -6.8691 -6.8691 -3.1346 -3.1346 -3.1343 -3.1343 2.4513 2.4513 2.4627 2.4627 3.5709 3.5709 3.6088 3.6088 3.9262 3.9262 3.9498 3.9498 5.6903 5.6903 5.6930 5.6930 6.5600 6.5600 6.5668 6.5668 7.7616 7.7617 k = 0.4667 0.5000-0.0000 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6648 -17.6648 -17.3203 -17.3203 -17.3199 -17.3199 -17.2370 -17.2370 -17.2368 -17.2368 -7.7929 -7.7929 -7.7925 -7.7925 -6.9697 -6.9697 -6.9606 -6.9606 -6.8799 -6.8799 -6.8711 -6.8711 -3.1334 -3.1334 -3.1333 -3.1333 2.4492 2.4492 2.4569 2.4569 3.5794 3.5794 3.6051 3.6051 3.9322 3.9322 3.9482 3.9482 5.6839 5.6839 5.6858 5.6858 6.5534 6.5534 6.5579 6.5579 7.7629 7.7629 k = 0.4833 0.5000-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6649 -17.6649 -17.3203 -17.3203 -17.3201 -17.3201 -17.2368 -17.2368 -17.2367 -17.2367 -7.7928 -7.7928 -7.7926 -7.7926 -6.9677 -6.9677 -6.9631 -6.9631 -6.8775 -6.8775 -6.8731 -6.8731 -3.1327 -3.1327 -3.1326 -3.1326 2.4487 2.4487 2.4525 2.4525 3.5873 3.5873 3.6002 3.6002 3.9375 3.9375 3.9456 3.9456 5.6803 5.6803 5.6812 5.6812 6.5499 6.5499 6.5521 6.5521 7.7635 7.7635 k = 0.5000 0.5000-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2366 -17.2366 -17.2366 -17.2366 -7.7927 -7.7927 -7.7927 -7.7927 -6.9655 -6.9655 -6.9655 -6.9655 -6.8753 -6.8753 -6.8753 -6.8753 -3.1324 -3.1324 -3.1324 -3.1324 2.4498 2.4498 2.4498 2.4498 3.5942 3.5942 3.5942 3.5942 3.9420 3.9420 3.9420 3.9420 5.6794 5.6794 5.6794 5.6794 6.5494 6.5494 6.5494 6.5494 7.7637 7.7637 k = 0.5000 0.5000-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2366 -17.2366 -17.2366 -17.2366 -7.7927 -7.7927 -7.7927 -7.7927 -6.9655 -6.9655 -6.9655 -6.9655 -6.8753 -6.8753 -6.8753 -6.8753 -3.1324 -3.1324 -3.1324 -3.1324 2.4498 2.4498 2.4498 2.4498 3.5942 3.5942 3.5942 3.5942 3.9420 3.9420 3.9420 3.9420 5.6794 5.6794 5.6794 5.6794 6.5494 6.5494 6.5494 6.5494 7.7637 7.7637 k = 0.4881 0.4881-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0620 -23.0620 -17.6651 -17.6651 -17.6649 -17.6649 -17.3203 -17.3203 -17.3201 -17.3201 -17.2368 -17.2368 -17.2366 -17.2366 -7.7928 -7.7928 -7.7926 -7.7926 -6.9677 -6.9677 -6.9631 -6.9631 -6.8776 -6.8776 -6.8731 -6.8731 -3.1330 -3.1330 -3.1323 -3.1323 2.4486 2.4486 2.4526 2.4526 3.5871 3.5871 3.6003 3.6003 3.9373 3.9373 3.9457 3.9457 5.6796 5.6796 5.6819 5.6819 6.5497 6.5497 6.5523 6.5523 7.7635 7.7642 k = 0.4762 0.4762-0.0000 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3778 -36.3778 -23.0621 -23.0621 -23.0620 -23.0620 -17.6651 -17.6651 -17.6648 -17.6648 -17.3203 -17.3203 -17.3198 -17.3198 -17.2371 -17.2371 -17.2366 -17.2366 -7.7930 -7.7930 -7.7924 -7.7924 -6.9698 -6.9698 -6.9606 -6.9606 -6.8799 -6.8799 -6.8710 -6.8710 -3.1347 -3.1347 -3.1320 -3.1320 2.4488 2.4488 2.4574 2.4574 3.5788 3.5788 3.6056 3.6056 3.9313 3.9313 3.9490 3.9490 5.6806 5.6806 5.6893 5.6893 6.5524 6.5524 6.5592 6.5592 7.7601 7.7631 k = 0.4643 0.4643-0.0000 ( 8666 PWs) bands (ev): -36.3780 -36.3780 -36.3778 -36.3778 -23.0622 -23.0622 -23.0620 -23.0620 -17.6652 -17.6652 -17.6645 -17.6645 -17.3202 -17.3202 -17.3194 -17.3194 -17.2377 -17.2377 -17.2367 -17.2367 -7.7932 -7.7932 -7.7920 -7.7920 -6.9717 -6.9717 -6.9580 -6.9580 -6.8823 -6.8823 -6.8690 -6.8690 -3.1375 -3.1375 -3.1315 -3.1315 2.4501 2.4501 2.4645 2.4645 3.5691 3.5691 3.6102 3.6102 3.9235 3.9235 3.9522 3.9522 5.6826 5.6826 5.7013 5.7013 6.5572 6.5572 6.5702 6.5702 7.7509 7.7543 k = 0.4524 0.4524-0.0000 ( 8678 PWs) bands (ev): -36.3780 -36.3780 -36.3777 -36.3777 -23.0623 -23.0623 -23.0619 -23.0619 -17.6653 -17.6653 -17.6641 -17.6641 -17.3201 -17.3201 -17.3190 -17.3190 -17.2385 -17.2385 -17.2367 -17.2367 -7.7934 -7.7934 -7.7916 -7.7916 -6.9734 -6.9734 -6.9552 -6.9552 -6.8848 -6.8848 -6.8672 -6.8672 -3.1415 -3.1415 -3.1309 -3.1309 2.4524 2.4524 2.4740 2.4740 3.5581 3.5581 3.6145 3.6145 3.9135 3.9135 3.9556 3.9556 5.6857 5.6857 5.7177 5.7177 6.5640 6.5640 6.5852 6.5852 7.7410 7.7437 k = 0.4405 0.4405-0.0000 ( 8670 PWs) bands (ev): -36.3781 -36.3781 -36.3776 -36.3776 -23.0624 -23.0624 -23.0618 -23.0618 -17.6654 -17.6654 -17.6636 -17.6636 -17.3199 -17.3199 -17.3183 -17.3183 -17.2395 -17.2395 -17.2367 -17.2367 -7.7937 -7.7937 -7.7910 -7.7910 -6.9749 -6.9749 -6.9524 -6.9524 -6.8873 -6.8873 -6.8654 -6.8654 -3.1465 -3.1465 -3.1300 -3.1300 2.4557 2.4557 2.4859 2.4859 3.5456 3.5456 3.6186 3.6186 3.9013 3.9013 3.9593 3.9593 5.6904 5.6904 5.7384 5.7384 6.5726 6.5726 6.6042 6.6042 7.7285 7.7286 k = 0.4286 0.4286-0.0000 ( 8656 PWs) bands (ev): -36.3782 -36.3782 -36.3775 -36.3775 -23.0625 -23.0625 -23.0617 -23.0617 -17.6656 -17.6656 -17.6630 -17.6630 -17.3197 -17.3197 -17.3175 -17.3175 -17.2407 -17.2407 -17.2367 -17.2367 -7.7941 -7.7941 -7.7903 -7.7903 -6.9763 -6.9763 -6.9494 -6.9494 -6.8899 -6.8899 -6.8637 -6.8637 -3.1526 -3.1526 -3.1290 -3.1290 2.4600 2.4600 2.5003 2.5003 3.5319 3.5319 3.6226 3.6226 3.8865 3.8865 3.9633 3.9633 5.6969 5.6969 5.7627 5.7627 6.5831 6.5831 6.6268 6.6268 7.7138 7.7138 k = 0.4167 0.4167-0.0000 ( 8668 PWs) bands (ev): -36.3784 -36.3784 -36.3774 -36.3774 -23.0627 -23.0627 -23.0616 -23.0616 -17.6658 -17.6658 -17.6624 -17.6624 -17.3194 -17.3194 -17.3166 -17.3166 -17.2421 -17.2421 -17.2367 -17.2367 -7.7945 -7.7945 -7.7894 -7.7894 -6.9775 -6.9775 -6.9465 -6.9465 -6.8925 -6.8925 -6.8622 -6.8622 -3.1598 -3.1598 -3.1279 -3.1279 2.4655 2.4655 2.5171 2.5171 3.5171 3.5171 3.6267 3.6267 3.8693 3.8693 3.9677 3.9677 5.7057 5.7057 5.7903 5.7903 6.5953 6.5953 6.6529 6.6529 7.6971 7.6971 k = 0.4048 0.4048-0.0000 ( 8676 PWs) bands (ev): -36.3785 -36.3785 -36.3773 -36.3773 -23.0628 -23.0628 -23.0615 -23.0615 -17.6660 -17.6660 -17.6617 -17.6617 -17.3191 -17.3191 -17.3156 -17.3156 -17.2437 -17.2437 -17.2368 -17.2368 -7.7950 -7.7950 -7.7884 -7.7884 -6.9784 -6.9784 -6.9434 -6.9434 -6.8951 -6.8951 -6.8607 -6.8607 -3.1680 -3.1680 -3.1267 -3.1267 2.4722 2.4722 2.5364 2.5364 3.5014 3.5014 3.6310 3.6310 3.8494 3.8494 3.9725 3.9725 5.7171 5.7171 5.8208 5.8208 6.6092 6.6092 6.6822 6.6822 7.6785 7.6785 k = 0.3929 0.3929-0.0000 ( 8672 PWs) bands (ev): -36.3787 -36.3787 -36.3771 -36.3771 -23.0630 -23.0630 -23.0613 -23.0613 -17.6663 -17.6663 -17.6609 -17.6609 -17.3187 -17.3187 -17.3144 -17.3144 -17.2454 -17.2454 -17.2368 -17.2368 -7.7956 -7.7956 -7.7874 -7.7874 -6.9792 -6.9792 -6.9403 -6.9403 -6.8977 -6.8977 -6.8594 -6.8594 -3.1772 -3.1772 -3.1255 -3.1255 2.4802 2.4802 2.5580 2.5580 3.4850 3.4850 3.6355 3.6355 3.8271 3.8271 3.9776 3.9776 5.7313 5.7313 5.8535 5.8535 6.6248 6.6248 6.7144 6.7144 7.6585 7.6585 k = 0.3810 0.3810-0.0000 ( 8670 PWs) bands (ev): -36.3789 -36.3789 -36.3769 -36.3769 -23.0633 -23.0633 -23.0612 -23.0612 -17.6666 -17.6666 -17.6600 -17.6600 -17.3183 -17.3183 -17.3132 -17.3132 -17.2473 -17.2473 -17.2367 -17.2367 -7.7962 -7.7962 -7.7862 -7.7862 -6.9798 -6.9798 -6.9372 -6.9372 -6.9003 -6.9003 -6.8582 -6.8582 -3.1873 -3.1873 -3.1242 -3.1242 2.4896 2.4896 2.5819 2.5819 3.4682 3.4682 3.6403 3.6403 3.8023 3.8023 3.9829 3.9829 5.7485 5.7485 5.8881 5.8881 6.6418 6.6418 6.7493 6.7493 7.6375 7.6375 k = 0.3690 0.3690-0.0000 ( 8674 PWs) bands (ev): -36.3791 -36.3791 -36.3767 -36.3767 -23.0635 -23.0635 -23.0610 -23.0610 -17.6669 -17.6669 -17.6590 -17.6590 -17.3179 -17.3179 -17.3118 -17.3118 -17.2494 -17.2494 -17.2367 -17.2367 -7.7968 -7.7968 -7.7848 -7.7848 -6.9801 -6.9801 -6.9342 -6.9342 -6.9028 -6.9028 -6.8571 -6.8571 -3.1984 -3.1984 -3.1229 -3.1229 2.5005 2.5005 2.6079 2.6079 3.4512 3.4512 3.6454 3.6454 3.7754 3.7754 3.9884 3.9884 5.7687 5.7687 5.9240 5.9240 6.6601 6.6601 6.7868 6.7868 7.6159 7.6159 k = 0.3571 0.3571-0.0000 ( 8674 PWs) bands (ev): -36.3793 -36.3793 -36.3765 -36.3765 -23.0638 -23.0638 -23.0608 -23.0608 -17.6672 -17.6672 -17.6580 -17.6580 -17.3175 -17.3175 -17.3104 -17.3104 -17.2516 -17.2516 -17.2367 -17.2367 -7.7975 -7.7975 -7.7834 -7.7834 -6.9803 -6.9803 -6.9312 -6.9312 -6.9052 -6.9052 -6.8561 -6.8561 -3.2104 -3.2104 -3.1216 -3.1216 2.5130 2.5130 2.6361 2.6361 3.4343 3.4343 3.6508 3.6508 3.7466 3.7466 3.9941 3.9941 5.7918 5.7918 5.9607 5.9607 6.6795 6.6795 6.8265 6.8265 7.5941 7.5941 k = 0.3452 0.3452-0.0000 ( 8674 PWs) bands (ev): -36.3795 -36.3795 -36.3763 -36.3763 -23.0640 -23.0640 -23.0606 -23.0606 -17.6676 -17.6676 -17.6570 -17.6570 -17.3170 -17.3170 -17.3088 -17.3088 -17.2539 -17.2539 -17.2366 -17.2366 -7.7982 -7.7982 -7.7819 -7.7819 -6.9803 -6.9803 -6.9284 -6.9284 -6.9073 -6.9073 -6.8553 -6.8553 -3.2232 -3.2232 -3.1204 -3.1204 2.5272 2.5272 2.6663 2.6663 3.4175 3.4175 3.6565 3.6565 3.7162 3.7162 3.9998 3.9998 5.8177 5.8177 5.9976 5.9976 6.6999 6.6999 6.8682 6.8682 7.5728 7.5728 k = 0.3333 0.3333-0.0000 ( 8686 PWs) bands (ev): -36.3798 -36.3798 -36.3761 -36.3761 -23.0643 -23.0643 -23.0604 -23.0604 -17.6681 -17.6681 -17.6559 -17.6559 -17.3165 -17.3165 -17.3072 -17.3072 -17.2564 -17.2564 -17.2365 -17.2365 -7.7990 -7.7990 -7.7803 -7.7803 -6.9801 -6.9801 -6.9260 -6.9260 -6.9091 -6.9091 -6.8545 -6.8545 -3.2367 -3.2367 -3.1193 -3.1193 2.5430 2.5430 2.6983 2.6983 3.4010 3.4010 3.6625 3.6625 3.6849 3.6849 4.0055 4.0055 5.8460 5.8460 6.0344 6.0344 6.7209 6.7209 6.9116 6.9116 7.5523 7.5523 k = 0.3214 0.3214-0.0000 ( 8684 PWs) bands (ev): -36.3800 -36.3800 -36.3758 -36.3758 -23.0646 -23.0646 -23.0602 -23.0602 -17.6685 -17.6685 -17.6548 -17.6548 -17.3160 -17.3160 -17.3055 -17.3055 -17.2589 -17.2589 -17.2363 -17.2363 -7.7998 -7.7998 -7.7786 -7.7786 -6.9797 -6.9797 -6.9242 -6.9242 -6.9102 -6.9102 -6.8538 -6.8538 -3.2509 -3.2509 -3.1182 -3.1182 2.5606 2.5606 2.7320 2.7320 3.3850 3.3850 3.6526 3.6526 3.6694 3.6694 4.0111 4.0111 5.8764 5.8764 6.0704 6.0704 6.7423 6.7423 6.9565 6.9565 7.5334 7.5334 k = 0.3095 0.3095-0.0000 ( 8682 PWs) bands (ev): -36.3803 -36.3803 -36.3756 -36.3756 -23.0649 -23.0649 -23.0599 -23.0599 -17.6690 -17.6690 -17.6537 -17.6537 -17.3155 -17.3155 -17.3038 -17.3038 -17.2615 -17.2615 -17.2361 -17.2361 -7.8006 -7.8006 -7.7768 -7.7768 -6.9791 -6.9791 -6.9235 -6.9235 -6.9102 -6.9102 -6.8533 -6.8533 -3.2658 -3.2658 -3.1174 -3.1174 2.5798 2.5798 2.7672 2.7672 3.3694 3.3694 3.6209 3.6209 3.6760 3.6760 4.0165 4.0165 5.9084 5.9084 6.1054 6.1054 6.7635 6.7635 7.0025 7.0025 7.5165 7.5165 k = 0.2976 0.2976-0.0000 ( 8674 PWs) bands (ev): -36.3805 -36.3805 -36.3753 -36.3753 -23.0652 -23.0652 -23.0597 -23.0597 -17.6695 -17.6695 -17.6525 -17.6525 -17.3150 -17.3150 -17.3021 -17.3021 -17.2641 -17.2641 -17.2358 -17.2358 -7.8014 -7.8014 -7.7749 -7.7749 -6.9784 -6.9784 -6.9241 -6.9241 -6.9089 -6.9089 -6.8528 -6.8528 -3.2812 -3.2812 -3.1166 -3.1166 2.6006 2.6006 2.8037 2.8037 3.3544 3.3544 3.5900 3.5900 3.6831 3.6831 4.0215 4.0215 5.9415 5.9415 6.1388 6.1388 6.7841 6.7841 7.0493 7.0493 7.5024 7.5024 k = 0.2857 0.2857-0.0000 ( 8688 PWs) bands (ev): -36.3808 -36.3808 -36.3751 -36.3751 -23.0656 -23.0656 -23.0595 -23.0595 -17.6701 -17.6701 -17.6514 -17.6514 -17.3144 -17.3144 -17.3003 -17.3003 -17.2668 -17.2668 -17.2355 -17.2355 -7.8022 -7.8022 -7.7730 -7.7730 -6.9775 -6.9775 -6.9254 -6.9254 -6.9069 -6.9069 -6.8524 -6.8524 -3.2971 -3.2971 -3.1161 -3.1161 2.6227 2.6227 2.8411 2.8411 3.3398 3.3398 3.5608 3.5608 3.6905 3.6905 4.0261 4.0261 5.9751 5.9751 6.1702 6.1702 6.8034 6.8034 7.0963 7.0963 7.4914 7.4914 k = 0.2738 0.2738-0.0000 ( 8690 PWs) bands (ev): -36.3811 -36.3811 -36.3748 -36.3748 -23.0659 -23.0659 -23.0592 -23.0592 -17.6706 -17.6706 -17.6503 -17.6503 -17.3139 -17.3139 -17.2986 -17.2986 -17.2695 -17.2695 -17.2351 -17.2351 -7.8030 -7.8030 -7.7711 -7.7711 -6.9765 -6.9765 -6.9271 -6.9271 -6.9044 -6.9044 -6.8520 -6.8520 -3.3134 -3.3134 -3.1157 -3.1157 2.6460 2.6460 2.8792 2.8792 3.3259 3.3259 3.5341 3.5341 3.6982 3.6982 4.0302 4.0302 6.0086 6.0086 6.1994 6.1994 6.8207 6.8207 7.1430 7.1430 7.4842 7.4842 k = 0.2619 0.2619-0.0000 ( 8689 PWs) bands (ev): -36.3814 -36.3814 -36.3746 -36.3746 -23.0662 -23.0662 -23.0590 -23.0590 -17.6712 -17.6712 -17.6492 -17.6492 -17.3134 -17.3134 -17.2968 -17.2968 -17.2722 -17.2722 -17.2346 -17.2346 -7.8039 -7.8039 -7.7691 -7.7691 -6.9754 -6.9754 -6.9290 -6.9290 -6.9018 -6.9018 -6.8517 -6.8517 -3.3300 -3.3300 -3.1155 -3.1155 2.6698 2.6698 2.9175 2.9175 3.3129 3.3129 3.5109 3.5109 3.7062 3.7062 4.0336 4.0336 6.0414 6.0414 6.2260 6.2260 6.8350 6.8350 7.1888 7.1888 7.4809 7.4809 k = 0.2500 0.2500-0.0000 ( 8695 PWs) bands (ev): -36.3816 -36.3816 -36.3743 -36.3743 -23.0666 -23.0666 -23.0587 -23.0587 -17.6718 -17.6718 -17.6481 -17.6481 -17.3128 -17.3128 -17.2951 -17.2951 -17.2749 -17.2749 -17.2341 -17.2341 -7.8047 -7.8047 -7.7670 -7.7670 -6.9742 -6.9742 -6.9309 -6.9309 -6.8991 -6.8991 -6.8515 -6.8515 -3.3468 -3.3468 -3.1155 -3.1155 2.6937 2.6937 2.9553 2.9553 3.3016 3.3016 3.4918 3.4918 3.7145 3.7145 4.0362 4.0362 6.0727 6.0727 6.2500 6.2500 6.8452 6.8452 7.2327 7.2327 7.4643 7.4643 k = 0.2381 0.2381-0.0000 ( 8687 PWs) bands (ev): -36.3819 -36.3819 -36.3740 -36.3740 -23.0669 -23.0669 -23.0585 -23.0585 -17.6725 -17.6725 -17.6470 -17.6470 -17.3123 -17.3123 -17.2935 -17.2935 -17.2774 -17.2774 -17.2334 -17.2334 -7.8055 -7.8055 -7.7650 -7.7650 -6.9728 -6.9728 -6.9328 -6.9328 -6.8965 -6.8965 -6.8512 -6.8512 -3.3638 -3.3638 -3.1158 -3.1158 2.7168 2.7168 2.9919 2.9919 3.2931 3.2931 3.4774 3.4774 3.7231 3.7231 4.0380 4.0380 6.1020 6.1020 6.2712 6.2712 6.8503 6.8503 7.2712 7.2712 7.3691 7.3691 k = 0.2262 0.2262-0.0000 ( 8679 PWs) bands (ev): -36.3822 -36.3822 -36.3737 -36.3737 -23.0672 -23.0672 -23.0582 -23.0582 -17.6731 -17.6731 -17.6460 -17.6460 -17.3118 -17.3118 -17.2919 -17.2919 -17.2800 -17.2800 -17.2327 -17.2327 -7.8063 -7.8063 -7.7629 -7.7629 -6.9714 -6.9714 -6.9347 -6.9347 -6.8941 -6.8941 -6.8509 -6.8509 -3.3808 -3.3808 -3.1162 -3.1162 2.7380 2.7380 3.0263 3.0263 3.2894 3.2894 3.4677 3.4677 3.7319 3.7319 4.0387 4.0387 6.1287 6.1287 6.2898 6.2898 6.8489 6.8489 7.2447 7.2447 7.3292 7.3292 k = 0.2143 0.2143-0.0000 ( 8661 PWs) bands (ev): -36.3825 -36.3825 -36.3735 -36.3735 -23.0676 -23.0676 -23.0580 -23.0580 -17.6737 -17.6737 -17.6450 -17.6450 -17.3114 -17.3114 -17.2904 -17.2904 -17.2824 -17.2824 -17.2319 -17.2319 -7.8070 -7.8070 -7.7608 -7.7608 -6.9699 -6.9699 -6.9365 -6.9365 -6.8917 -6.8917 -6.8506 -6.8506 -3.3977 -3.3977 -3.1167 -3.1167 2.7559 2.7559 3.0578 3.0578 3.2924 3.2924 3.4629 3.4629 3.7410 3.7410 4.0385 4.0385 6.1520 6.1520 6.3058 6.3058 6.8403 6.8403 7.1418 7.1418 7.3618 7.3618 k = 0.2024 0.2024-0.0000 ( 8659 PWs) bands (ev): -36.3827 -36.3827 -36.3732 -36.3732 -23.0679 -23.0679 -23.0577 -23.0577 -17.6744 -17.6744 -17.6440 -17.6440 -17.3110 -17.3110 -17.2890 -17.2890 -17.2847 -17.2847 -17.2310 -17.2310 -7.8078 -7.8078 -7.7588 -7.7588 -6.9684 -6.9684 -6.9382 -6.9382 -6.8896 -6.8896 -6.8502 -6.8502 -3.4144 -3.4144 -3.1175 -3.1175 2.7691 2.7691 3.0863 3.0863 3.3036 3.3036 3.4629 3.4629 3.7504 3.7504 4.0371 4.0371 6.1715 6.1715 6.3194 6.3194 6.8237 6.8237 7.0342 7.0342 7.3966 7.3966 k = 0.1905 0.1905-0.0000 ( 8655 PWs) bands (ev): -36.3830 -36.3830 -36.3729 -36.3729 -23.0682 -23.0682 -23.0575 -23.0575 -17.6751 -17.6751 -17.6431 -17.6431 -17.3106 -17.3106 -17.2879 -17.2879 -17.2868 -17.2868 -17.2300 -17.2300 -7.8085 -7.8085 -7.7568 -7.7568 -6.9668 -6.9668 -6.9398 -6.9398 -6.8877 -6.8877 -6.8497 -6.8497 -3.4309 -3.4309 -3.1184 -3.1184 2.7764 2.7764 3.1127 3.1127 3.3229 3.3229 3.4676 3.4676 3.7601 3.7601 4.0345 4.0345 6.1865 6.1865 6.3310 6.3310 6.7992 6.7992 6.9270 6.9270 7.4296 7.4296 k = 0.1786 0.1786-0.0000 ( 8665 PWs) bands (ev): -36.3833 -36.3833 -36.3727 -36.3727 -23.0685 -23.0685 -23.0572 -23.0572 -17.6758 -17.6758 -17.6423 -17.6423 -17.3104 -17.3104 -17.2892 -17.2892 -17.2864 -17.2864 -17.2290 -17.2290 -7.8092 -7.8092 -7.7548 -7.7548 -6.9652 -6.9652 -6.9414 -6.9414 -6.8861 -6.8861 -6.8491 -6.8491 -3.4470 -3.4470 -3.1194 -3.1194 2.7775 2.7775 3.1386 3.1386 3.3485 3.3485 3.4773 3.4773 3.7702 3.7702 4.0308 4.0308 6.1961 6.1961 6.3407 6.3407 6.7673 6.7673 6.8222 6.8222 7.4606 7.4606 k = 0.1667 0.1667-0.0000 ( 8669 PWs) bands (ev): -36.3835 -36.3835 -36.3725 -36.3725 -23.0688 -23.0688 -23.0570 -23.0570 -17.6765 -17.6765 -17.6414 -17.6414 -17.3102 -17.3102 -17.2911 -17.2911 -17.2854 -17.2854 -17.2279 -17.2279 -7.8098 -7.8098 -7.7529 -7.7529 -6.9636 -6.9636 -6.9428 -6.9428 -6.8847 -6.8847 -6.8483 -6.8483 -3.4627 -3.4627 -3.1206 -3.1206 2.7727 2.7727 3.1652 3.1652 3.3783 3.3783 3.4920 3.4920 3.7807 3.7807 4.0259 4.0259 6.1991 6.1991 6.3490 6.3490 6.7211 6.7211 6.7296 6.7296 7.4896 7.4896 k = 0.1548 0.1548-0.0000 ( 8675 PWs) bands (ev): -36.3838 -36.3838 -36.3722 -36.3722 -23.0691 -23.0691 -23.0568 -23.0568 -17.6771 -17.6771 -17.6407 -17.6407 -17.3102 -17.3102 -17.2928 -17.2928 -17.2844 -17.2844 -17.2268 -17.2268 -7.8104 -7.8104 -7.7510 -7.7510 -6.9621 -6.9621 -6.9440 -6.9440 -6.8837 -6.8837 -6.8474 -6.8474 -3.4777 -3.4777 -3.1218 -3.1218 2.7631 2.7631 3.1929 3.1929 3.4099 3.4099 3.5119 3.5119 3.7918 3.7918 4.0199 4.0199 6.1936 6.1936 6.3561 6.3561 6.6282 6.6282 6.6859 6.6859 7.5167 7.5167 k = 0.1429 0.1429-0.0000 ( 8669 PWs) bands (ev): -36.3840 -36.3840 -36.3720 -36.3720 -23.0694 -23.0694 -23.0566 -23.0566 -17.6778 -17.6778 -17.6400 -17.6400 -17.3103 -17.3103 -17.2942 -17.2942 -17.2835 -17.2835 -17.2256 -17.2256 -7.8110 -7.8110 -7.7493 -7.7493 -6.9606 -6.9606 -6.9452 -6.9452 -6.8829 -6.8829 -6.8464 -6.8464 -3.4921 -3.4921 -3.1231 -3.1231 2.7500 2.7500 3.2210 3.2210 3.4421 3.4421 3.5369 3.5369 3.8035 3.8035 4.0130 4.0130 6.1764 6.1764 6.3623 6.3623 6.5459 6.5459 6.6390 6.6390 7.5421 7.5421 k = 0.1310 0.1310-0.0000 ( 8653 PWs) bands (ev): -36.3842 -36.3842 -36.3718 -36.3718 -23.0696 -23.0696 -23.0564 -23.0564 -17.6783 -17.6783 -17.6393 -17.6393 -17.3104 -17.3104 -17.2955 -17.2955 -17.2828 -17.2828 -17.2245 -17.2245 -7.8115 -7.8115 -7.7476 -7.7476 -6.9592 -6.9592 -6.9462 -6.9462 -6.8823 -6.8823 -6.8453 -6.8453 -3.5057 -3.5057 -3.1244 -3.1244 2.7347 2.7347 3.2486 3.2486 3.4741 3.4741 3.5661 3.5661 3.8161 3.8161 4.0054 4.0054 6.1438 6.1438 6.3677 6.3677 6.4794 6.4794 6.5899 6.5899 7.5656 7.5656 k = 0.1190 0.1190-0.0000 ( 8655 PWs) bands (ev): -36.3844 -36.3844 -36.3716 -36.3716 -23.0699 -23.0699 -23.0562 -23.0562 -17.6789 -17.6789 -17.6387 -17.6387 -17.3108 -17.3108 -17.2964 -17.2964 -17.2821 -17.2821 -17.2234 -17.2234 -7.8120 -7.8120 -7.7460 -7.7460 -6.9580 -6.9580 -6.9470 -6.9470 -6.8821 -6.8821 -6.8441 -6.8441 -3.5185 -3.5185 -3.1257 -3.1257 2.7183 2.7183 3.2748 3.2748 3.5057 3.5057 3.5983 3.5983 3.8296 3.8296 3.9972 3.9972 6.0941 6.0941 6.3725 6.3725 6.4314 6.4314 6.5400 6.5400 7.5873 7.5873 k = 0.1071 0.1071-0.0000 ( 8649 PWs) bands (ev): -36.3846 -36.3846 -36.3714 -36.3714 -23.0701 -23.0701 -23.0561 -23.0561 -17.6795 -17.6795 -17.6382 -17.6382 -17.3112 -17.3112 -17.2972 -17.2972 -17.2815 -17.2815 -17.2222 -17.2222 -7.8124 -7.8124 -7.7446 -7.7446 -6.9568 -6.9568 -6.9476 -6.9476 -6.8819 -6.8819 -6.8428 -6.8428 -3.5304 -3.5304 -3.1270 -3.1270 2.7018 2.7018 3.2991 3.2991 3.5367 3.5367 3.6321 3.6321 3.8442 3.8442 3.9888 3.9888 6.0305 6.0305 6.3763 6.3763 6.4002 6.4002 6.4906 6.4906 7.6071 7.6071 k = 0.0952 0.0952-0.0000 ( 8647 PWs) bands (ev): -36.3847 -36.3847 -36.3713 -36.3713 -23.0703 -23.0703 -23.0559 -23.0559 -17.6800 -17.6800 -17.6377 -17.6377 -17.3117 -17.3117 -17.2978 -17.2978 -17.2810 -17.2810 -17.2212 -17.2212 -7.8128 -7.8128 -7.7433 -7.7433 -6.9559 -6.9559 -6.9480 -6.9480 -6.8820 -6.8820 -6.8416 -6.8416 -3.5412 -3.5412 -3.1282 -3.1282 2.6857 2.6857 3.3210 3.3210 3.5663 3.5663 3.6662 3.6662 3.8600 3.8600 3.9806 3.9806 5.9593 5.9593 6.3750 6.3750 6.3850 6.3850 6.4428 6.4428 7.6250 7.6250 k = 0.0833 0.0833-0.0000 ( 8651 PWs) bands (ev): -36.3849 -36.3849 -36.3711 -36.3711 -23.0705 -23.0705 -23.0558 -23.0558 -17.6805 -17.6805 -17.6372 -17.6372 -17.3123 -17.3123 -17.2982 -17.2982 -17.2806 -17.2806 -17.2202 -17.2202 -7.8132 -7.8132 -7.7421 -7.7421 -6.9553 -6.9553 -6.9482 -6.9482 -6.8821 -6.8821 -6.8404 -6.8404 -3.5509 -3.5509 -3.1293 -3.1293 2.6706 2.6706 3.3406 3.3406 3.5935 3.5935 3.6996 3.6996 3.8770 3.8770 3.9730 3.9730 5.8862 5.8862 6.3637 6.3637 6.3858 6.3858 6.3983 6.3983 7.6408 7.6408 k = 0.0714 0.0714-0.0000 ( 8659 PWs) bands (ev): -36.3850 -36.3850 -36.3710 -36.3710 -23.0706 -23.0706 -23.0557 -23.0557 -17.6809 -17.6809 -17.6369 -17.6369 -17.3129 -17.3129 -17.2985 -17.2985 -17.2803 -17.2803 -17.2194 -17.2194 -7.8135 -7.8135 -7.7410 -7.7410 -6.9549 -6.9549 -6.9481 -6.9481 -6.8824 -6.8824 -6.8393 -6.8393 -3.5595 -3.5595 -3.1304 -3.1304 2.6568 2.6568 3.3577 3.3577 3.6175 3.6175 3.7308 3.7308 3.8949 3.8949 3.9666 3.9666 5.8155 5.8155 6.3543 6.3543 6.3562 6.3562 6.3896 6.3896 7.6545 7.6545 k = 0.0595 0.0595-0.0000 ( 8653 PWs) bands (ev): -36.3851 -36.3851 -36.3709 -36.3709 -23.0707 -23.0707 -23.0556 -23.0556 -17.6812 -17.6812 -17.6366 -17.6366 -17.3134 -17.3134 -17.2986 -17.2986 -17.2800 -17.2800 -17.2186 -17.2186 -7.8137 -7.8137 -7.7401 -7.7401 -6.9547 -6.9547 -6.9479 -6.9479 -6.8826 -6.8826 -6.8383 -6.8383 -3.5669 -3.5669 -3.1313 -3.1313 2.6448 2.6448 3.3724 3.3724 3.6377 3.6377 3.7584 3.7584 3.9133 3.9133 3.9619 3.9619 5.7502 5.7502 6.3195 6.3195 6.3475 6.3475 6.3924 6.3924 7.6660 7.6660 k = 0.0476 0.0476-0.0000 ( 8645 PWs) bands (ev): -36.3852 -36.3852 -36.3708 -36.3708 -23.0709 -23.0709 -23.0555 -23.0555 -17.6815 -17.6815 -17.6363 -17.6363 -17.3139 -17.3139 -17.2988 -17.2988 -17.2797 -17.2797 -17.2180 -17.2180 -7.8139 -7.8139 -7.7393 -7.7393 -6.9547 -6.9547 -6.9475 -6.9475 -6.8829 -6.8829 -6.8374 -6.8374 -3.5730 -3.5730 -3.1321 -3.1321 2.6347 2.6347 3.3846 3.3846 3.6539 3.6539 3.7809 3.7809 3.9312 3.9312 3.9594 3.9594 5.6928 5.6928 6.2883 6.2883 6.3422 6.3422 6.3948 6.3948 7.6755 7.6755 k = 0.0357 0.0357-0.0000 ( 8653 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0709 -23.0709 -23.0554 -23.0554 -17.6818 -17.6818 -17.6361 -17.6361 -17.3143 -17.3143 -17.2988 -17.2988 -17.2796 -17.2796 -17.2175 -17.2175 -7.8141 -7.8141 -7.7388 -7.7388 -6.9547 -6.9547 -6.9472 -6.9472 -6.8831 -6.8831 -6.8367 -6.8367 -3.5778 -3.5778 -3.1327 -3.1327 2.6267 2.6267 3.3943 3.3943 3.6661 3.6661 3.7974 3.7974 3.9475 3.9475 3.9591 3.9591 5.6455 5.6455 6.2632 6.2632 6.3384 6.3384 6.3968 6.3968 7.6828 7.6828 k = 0.0238 0.0238-0.0000 ( 8655 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6819 -17.6819 -17.6360 -17.6360 -17.3146 -17.3146 -17.2989 -17.2989 -17.2794 -17.2794 -17.2171 -17.2171 -7.8142 -7.8142 -7.7383 -7.7383 -6.9548 -6.9548 -6.9469 -6.9469 -6.8833 -6.8833 -6.8362 -6.8362 -3.5812 -3.5812 -3.1332 -3.1332 2.6209 2.6209 3.4014 3.4014 3.6747 3.6747 3.8082 3.8082 3.9580 3.9580 3.9629 3.9629 5.6102 5.6102 6.2448 6.2448 6.3357 6.3357 6.3983 6.3983 7.6880 7.6880 k = 0.0119 0.0119-0.0000 ( 8647 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6820 -17.6820 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8143 -7.8143 -7.7381 -7.7381 -6.9548 -6.9548 -6.9467 -6.9467 -6.8834 -6.8834 -6.8359 -6.8359 -3.5833 -3.5833 -3.1334 -3.1334 2.6174 2.6174 3.4057 3.4057 3.6797 3.6797 3.8140 3.8140 3.9600 3.9600 3.9709 3.9709 5.5883 5.5883 6.2336 6.2336 6.3341 6.3341 6.3992 6.3992 7.6912 7.6912 k = 0.0000 0.0000 0.0000 ( 8679 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2990 -17.2990 -17.2793 -17.2793 -17.2168 -17.2168 -7.8143 -7.8143 -7.7380 -7.7380 -6.9549 -6.9549 -6.9466 -6.9466 -6.8834 -6.8834 -6.8358 -6.8358 -3.5840 -3.5840 -3.1335 -3.1335 2.6162 2.6162 3.4071 3.4071 3.6814 3.6814 3.8158 3.8158 3.9606 3.9606 3.9739 3.9739 5.5809 5.5809 6.2298 6.2298 6.3336 6.3336 6.3995 6.3995 7.6922 7.6922 k = 0.0000 0.0000 0.0000 ( 8679 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2990 -17.2990 -17.2793 -17.2793 -17.2168 -17.2168 -7.8143 -7.8143 -7.7380 -7.7380 -6.9549 -6.9549 -6.9466 -6.9466 -6.8834 -6.8834 -6.8358 -6.8358 -3.5840 -3.5840 -3.1335 -3.1335 2.6162 2.6162 3.4071 3.4071 3.6814 3.6814 3.8158 3.8158 3.9606 3.9606 3.9739 3.9739 5.5809 5.5809 6.2298 6.2298 6.3336 6.3336 6.3995 6.3995 7.6922 7.6922 k = 0.0000 0.0000 0.0167 ( 8663 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8143 -7.8143 -7.7380 -7.7380 -6.9548 -6.9548 -6.9466 -6.9466 -6.8835 -6.8835 -6.8358 -6.8358 -3.5834 -3.5834 -3.1339 -3.1339 2.6159 2.6159 3.4046 3.4046 3.6813 3.6813 3.8141 3.8141 3.9591 3.9591 3.9754 3.9754 5.5854 5.5854 6.2314 6.2314 6.3337 6.3337 6.4051 6.4051 7.6900 7.6900 k = 0.0000 0.0000 0.0333 ( 8647 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8143 -7.8143 -7.7381 -7.7381 -6.9548 -6.9548 -6.9466 -6.9466 -6.8837 -6.8837 -6.8358 -6.8358 -3.5818 -3.5818 -3.1348 -3.1348 2.6153 2.6153 3.3970 3.3970 3.6811 3.6811 3.8094 3.8094 3.9559 3.9559 3.9787 3.9787 5.5987 5.5987 6.2363 6.2363 6.3339 6.3339 6.4216 6.4216 7.6833 7.6833 k = 0.0000 0.0000 0.0500 ( 8659 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8143 -7.8143 -7.7382 -7.7382 -6.9547 -6.9547 -6.9466 -6.9466 -6.8839 -6.8839 -6.8358 -6.8358 -3.5790 -3.5790 -3.1364 -3.1364 2.6143 2.6143 3.3844 3.3844 3.6806 3.6806 3.8023 3.8023 3.9520 3.9520 3.9827 3.9827 5.6205 5.6205 6.2445 6.2445 6.3343 6.3343 6.4488 6.4488 7.6716 7.6716 k = 0.0000 0.0000 0.0667 ( 8651 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8142 -7.8142 -7.7383 -7.7383 -6.9546 -6.9546 -6.9467 -6.9467 -6.8843 -6.8843 -6.8358 -6.8358 -3.5752 -3.5752 -3.1386 -3.1386 2.6131 2.6131 3.3666 3.3666 3.6799 3.6799 3.7935 3.7935 3.9480 3.9480 3.9869 3.9869 5.6502 5.6502 6.2559 6.2559 6.3348 6.3348 6.4858 6.4858 7.6544 7.6544 k = 0.0000 0.0000 0.0833 ( 8647 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8142 -7.8142 -7.7385 -7.7385 -6.9545 -6.9545 -6.9467 -6.9467 -6.8848 -6.8848 -6.8358 -6.8358 -3.5704 -3.5704 -3.1414 -3.1414 2.6119 2.6119 3.3440 3.3440 3.6787 3.6787 3.7843 3.7843 3.9440 3.9440 3.9912 3.9912 5.6871 5.6871 6.2705 6.2705 6.3354 6.3354 6.5320 6.5320 7.6308 7.6308 k = 0.0000 0.0000 0.1000 ( 8647 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8141 -7.8141 -7.7386 -7.7386 -6.9543 -6.9543 -6.9467 -6.9467 -6.8853 -6.8853 -6.8358 -6.8358 -3.5648 -3.5648 -3.1447 -3.1447 2.6110 2.6110 3.3167 3.3167 3.6771 3.6771 3.7753 3.7753 3.9401 3.9401 3.9953 3.9953 5.7306 5.7306 6.2884 6.2884 6.3362 6.3362 6.5861 6.5861 7.6000 7.6000 k = 0.0000 0.0000 0.1167 ( 8647 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8141 -7.8141 -7.7388 -7.7388 -6.9541 -6.9541 -6.9467 -6.9467 -6.8860 -6.8860 -6.8357 -6.8357 -3.5584 -3.5584 -3.1486 -3.1486 2.6105 2.6105 3.2853 3.2853 3.6749 3.6749 3.7674 3.7674 3.9364 3.9364 3.9994 3.9994 5.7799 5.7799 6.3094 6.3094 6.3370 6.3370 6.6468 6.6468 7.5618 7.5618 k = 0.0000 0.0000 0.1333 ( 8643 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8140 -7.8140 -7.7391 -7.7391 -6.9539 -6.9539 -6.9467 -6.9467 -6.8866 -6.8866 -6.8357 -6.8357 -3.5513 -3.5513 -3.1529 -3.1529 2.6106 2.6106 3.2505 3.2505 3.6723 3.6723 3.7608 3.7608 3.9329 3.9329 4.0033 4.0033 5.8344 5.8344 6.3335 6.3335 6.3379 6.3379 6.7127 6.7127 7.5159 7.5159 k = 0.0000 0.0000 0.1500 ( 8667 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8139 -7.8139 -7.7393 -7.7393 -6.9537 -6.9537 -6.9468 -6.9468 -6.8874 -6.8874 -6.8357 -6.8357 -3.5437 -3.5437 -3.1576 -3.1576 2.6117 2.6117 3.2132 3.2132 3.6692 3.6692 3.7557 3.7557 3.9296 3.9296 4.0070 4.0070 5.8936 5.8936 6.3388 6.3388 6.3610 6.3610 6.7820 6.7820 7.4630 7.4630 k = 0.0000 0.0000 0.1666 ( 8667 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2990 -17.2990 -17.2793 -17.2793 -17.2168 -17.2168 -7.8139 -7.8139 -7.7395 -7.7395 -6.9535 -6.9535 -6.9468 -6.9468 -6.8881 -6.8881 -6.8357 -6.8357 -3.5358 -3.5358 -3.1626 -3.1626 2.6140 2.6140 3.1743 3.1743 3.6660 3.6660 3.7520 3.7520 3.9265 3.9265 4.0104 4.0104 5.9567 5.9567 6.3397 6.3397 6.3914 6.3914 6.8524 6.8524 7.4045 7.4045 k = 0.0000 0.0000 0.1833 ( 8654 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8138 -7.8138 -7.7398 -7.7398 -6.9533 -6.9533 -6.9468 -6.9468 -6.8888 -6.8888 -6.8356 -6.8356 -3.5278 -3.5278 -3.1677 -3.1677 2.6175 2.6175 3.1348 3.1348 3.6627 3.6627 3.7494 3.7494 3.9237 3.9237 4.0136 4.0136 6.0235 6.0235 6.3407 6.3407 6.4248 6.4248 6.9210 6.9210 7.3428 7.3428 k = 0.0000 0.0000 0.2000 ( 8642 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6820 -17.6820 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8137 -7.8137 -7.7400 -7.7400 -6.9531 -6.9531 -6.9468 -6.9468 -6.8895 -6.8895 -6.8356 -6.8356 -3.5199 -3.5199 -3.1729 -3.1729 2.6225 2.6225 3.0956 3.0956 3.6595 3.6595 3.7477 3.7477 3.9212 3.9212 4.0164 4.0164 6.0933 6.0933 6.3416 6.3416 6.4612 6.4612 6.9822 6.9822 7.2824 7.2824 k = 0.0000 0.0000 0.2166 ( 8666 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8137 -7.8137 -7.7402 -7.7402 -6.9529 -6.9529 -6.9469 -6.9469 -6.8901 -6.8901 -6.8356 -6.8356 -3.5122 -3.5122 -3.1780 -3.1780 2.6288 2.6288 3.0577 3.0577 3.6566 3.6566 3.7466 3.7466 3.9190 3.9190 4.0189 4.0189 6.1657 6.1657 6.3424 6.3424 6.5003 6.5003 7.0228 7.0228 7.2359 7.2359 k = 0.0000 0.0000 0.2333 ( 8642 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6358 -17.6358 -17.3148 -17.3148 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8136 -7.8136 -7.7404 -7.7404 -6.9527 -6.9527 -6.9469 -6.9469 -6.8907 -6.8907 -6.8356 -6.8356 -3.5051 -3.5051 -3.1828 -3.1828 2.6363 2.6363 3.0222 3.0222 3.6541 3.6541 3.7460 3.7460 3.9171 3.9171 4.0211 4.0211 6.2403 6.2403 6.3432 6.3432 6.5419 6.5419 7.0180 7.0180 7.1717 7.1717 k = 0.0000 0.0000 0.2500 ( 8654 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8136 -7.8136 -7.7405 -7.7405 -6.9525 -6.9525 -6.9469 -6.9469 -6.8912 -6.8912 -6.8356 -6.8356 -3.4989 -3.4989 -3.1871 -3.1871 2.6445 2.6445 2.9900 2.9900 3.6520 3.6520 3.7456 3.7456 3.9155 3.9155 4.0229 4.0229 6.3164 6.3164 6.3438 6.3438 6.5855 6.5855 6.9685 6.9685 7.1028 7.1028 k = 0.0000 0.0000 0.2666 ( 8662 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8135 -7.8135 -7.7407 -7.7407 -6.9524 -6.9524 -6.9469 -6.9469 -6.8916 -6.8916 -6.8355 -6.8355 -3.4937 -3.4937 -3.1907 -3.1907 2.6530 2.6530 2.9624 2.9624 3.6503 3.6503 3.7455 3.7455 3.9143 3.9143 4.0244 4.0244 6.3443 6.3443 6.3933 6.3933 6.6302 6.6302 6.9003 6.9003 7.0383 7.0383 k = 0.0000 0.0000 0.2833 ( 8658 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2793 -17.2793 -17.2168 -17.2168 -7.8135 -7.8135 -7.7408 -7.7408 -6.9523 -6.9523 -6.9469 -6.9469 -6.8919 -6.8919 -6.8355 -6.8355 -3.4898 -3.4898 -3.1934 -3.1934 2.6605 2.6605 2.9409 2.9409 3.6491 3.6491 3.7454 3.7454 3.9135 3.9135 4.0254 4.0254 6.3447 6.3447 6.4691 6.4691 6.6739 6.6739 6.8274 6.8274 6.9805 6.9805 k = 0.0000 0.0000 0.3000 ( 8666 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8135 -7.8135 -7.7408 -7.7408 -6.9522 -6.9522 -6.9469 -6.9469 -6.8921 -6.8921 -6.8355 -6.8355 -3.4873 -3.4873 -3.1951 -3.1951 2.6658 2.6658 2.9270 2.9270 3.6484 3.6484 3.7454 3.7454 3.9129 3.9129 4.0260 4.0260 6.3449 6.3449 6.5385 6.5385 6.7108 6.7108 6.7588 6.7588 6.9351 6.9351 k = 0.0000 0.0000 0.3166 ( 8674 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8135 -7.8135 -7.7408 -7.7408 -6.9522 -6.9522 -6.9469 -6.9469 -6.8922 -6.8922 -6.8355 -6.8355 -3.4865 -3.4865 -3.1957 -3.1957 2.6677 2.6677 2.9222 2.9222 3.6482 3.6482 3.7454 3.7454 3.9127 3.9127 4.0262 4.0262 6.3450 6.3450 6.5753 6.5753 6.7222 6.7222 6.7270 6.7270 6.9160 6.9160 k = 0.0000 0.0000 0.3166 ( 8674 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8135 -7.8135 -7.7408 -7.7408 -6.9522 -6.9522 -6.9469 -6.9469 -6.8922 -6.8922 -6.8355 -6.8355 -3.4865 -3.4865 -3.1957 -3.1957 2.6677 2.6677 2.9222 2.9222 3.6482 3.6482 3.7454 3.7454 3.9127 3.9127 4.0262 4.0262 6.3450 6.3450 6.5753 6.5753 6.7222 6.7222 6.7270 6.7270 6.9160 6.9160 k = 0.0000 0.0167 0.3166 ( 8658 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6820 -17.6820 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2169 -17.2169 -7.8135 -7.8135 -7.7409 -7.7409 -6.9522 -6.9522 -6.9470 -6.9470 -6.8921 -6.8921 -6.8356 -6.8356 -3.4859 -3.4859 -3.1955 -3.1955 2.6679 2.6679 2.9216 2.9216 3.6475 3.6475 3.7440 3.7440 3.9120 3.9120 4.0248 4.0248 6.3455 6.3455 6.5791 6.5791 6.7228 6.7228 6.7303 6.7303 6.9170 6.9170 k = 0.0000 0.0333 0.3166 ( 8658 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6819 -17.6819 -17.6360 -17.6360 -17.3146 -17.3146 -17.2989 -17.2989 -17.2795 -17.2795 -17.2171 -17.2171 -7.8134 -7.8134 -7.7412 -7.7412 -6.9522 -6.9522 -6.9473 -6.9473 -6.8918 -6.8918 -6.8359 -6.8359 -3.4843 -3.4843 -3.1948 -3.1948 2.6682 2.6682 2.9197 2.9197 3.6458 3.6458 3.7399 3.7399 3.9100 3.9100 4.0205 4.0205 6.3469 6.3469 6.5905 6.5905 6.7244 6.7244 6.7404 6.7404 6.9201 6.9201 k = 0.0000 0.0500 0.3166 ( 8654 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6818 -17.6818 -17.6361 -17.6361 -17.3143 -17.3143 -17.2988 -17.2988 -17.2796 -17.2796 -17.2174 -17.2174 -7.8133 -7.8133 -7.7416 -7.7416 -6.9522 -6.9522 -6.9477 -6.9477 -6.8915 -6.8915 -6.8363 -6.8363 -3.4815 -3.4815 -3.1938 -3.1938 2.6688 2.6688 2.9164 2.9164 3.6429 3.6429 3.7331 3.7331 3.9069 3.9069 4.0139 4.0139 6.3492 6.3492 6.6090 6.6090 6.7269 6.7269 6.7570 6.7570 6.9249 6.9249 k = 0.0000 0.0667 0.3166 ( 8666 PWs) bands (ev): -36.3852 -36.3852 -36.3708 -36.3708 -23.0709 -23.0709 -23.0554 -23.0554 -17.6815 -17.6815 -17.6363 -17.6363 -17.3139 -17.3139 -17.2988 -17.2988 -17.2797 -17.2797 -17.2180 -17.2180 -7.8132 -7.8132 -7.7421 -7.7421 -6.9522 -6.9522 -6.9483 -6.9483 -6.8909 -6.8909 -6.8370 -6.8370 -3.4777 -3.4777 -3.1923 -3.1923 2.6694 2.6694 2.9114 2.9114 3.6392 3.6392 3.7236 3.7236 3.9030 3.9030 4.0054 4.0054 6.3524 6.3524 6.6339 6.6339 6.7303 6.7303 6.7795 6.7795 6.9315 6.9315 k = 0.0000 0.0833 0.3166 ( 8666 PWs) bands (ev): -36.3851 -36.3851 -36.3709 -36.3709 -23.0708 -23.0708 -23.0555 -23.0555 -17.6812 -17.6812 -17.6366 -17.6366 -17.3134 -17.3134 -17.2988 -17.2988 -17.2799 -17.2799 -17.2186 -17.2186 -7.8130 -7.8130 -7.7428 -7.7428 -6.9524 -6.9524 -6.9488 -6.9488 -6.8903 -6.8903 -6.8377 -6.8377 -3.4729 -3.4729 -3.1904 -3.1904 2.6699 2.6699 2.9046 2.9046 3.6348 3.6348 3.7116 3.7116 3.8985 3.8985 3.9957 3.9957 6.3567 6.3567 6.6646 6.6646 6.7344 6.7344 6.8074 6.8074 6.9392 6.9392 k = 0.0000 0.1000 0.3166 ( 8666 PWs) bands (ev): -36.3850 -36.3850 -36.3710 -36.3710 -23.0707 -23.0707 -23.0556 -23.0556 -17.6809 -17.6809 -17.6369 -17.6369 -17.3127 -17.3127 -17.2987 -17.2987 -17.2802 -17.2802 -17.2195 -17.2195 -7.8128 -7.8128 -7.7436 -7.7436 -6.9527 -6.9527 -6.9494 -6.9494 -6.8895 -6.8895 -6.8387 -6.8387 -3.4670 -3.4670 -3.1882 -3.1882 2.6701 2.6701 2.8956 2.8956 3.6301 3.6301 3.6974 3.6974 3.8940 3.8940 3.9856 3.9856 6.3620 6.3620 6.7000 6.7000 6.7391 6.7391 6.8400 6.8400 6.9478 6.9478 k = 0.0000 0.1167 0.3166 ( 8656 PWs) bands (ev): -36.3849 -36.3849 -36.3711 -36.3711 -23.0705 -23.0705 -23.0557 -23.0557 -17.6804 -17.6804 -17.6372 -17.6372 -17.3119 -17.3119 -17.2986 -17.2986 -17.2804 -17.2804 -17.2204 -17.2204 -7.8125 -7.8125 -7.7446 -7.7446 -6.9532 -6.9532 -6.9497 -6.9497 -6.8887 -6.8887 -6.8397 -6.8397 -3.4601 -3.4601 -3.1857 -3.1857 2.6696 2.6696 2.8842 2.8842 3.6255 3.6255 3.6815 3.6815 3.8895 3.8895 3.9756 3.9756 6.3684 6.3684 6.7381 6.7381 6.7454 6.7454 6.8764 6.8764 6.9567 6.9567 k = 0.0000 0.1333 0.3166 ( 8652 PWs) bands (ev): -36.3847 -36.3847 -36.3713 -36.3713 -23.0703 -23.0703 -23.0559 -23.0559 -17.6799 -17.6799 -17.6376 -17.6376 -17.3111 -17.3111 -17.2985 -17.2985 -17.2808 -17.2808 -17.2215 -17.2215 -7.8122 -7.8122 -7.7457 -7.7457 -6.9540 -6.9540 -6.9499 -6.9499 -6.8879 -6.8879 -6.8409 -6.8409 -3.4523 -3.4523 -3.1830 -3.1830 2.6683 2.6683 2.8700 2.8700 3.6214 3.6214 3.6646 3.6646 3.8853 3.8853 3.9662 3.9662 6.3760 6.3760 6.7488 6.7488 6.7819 6.7819 6.9159 6.9159 6.9651 6.9651 k = 0.0000 0.1500 0.3166 ( 8634 PWs) bands (ev): -36.3846 -36.3846 -36.3714 -36.3714 -23.0701 -23.0701 -23.0560 -23.0560 -17.6794 -17.6794 -17.6381 -17.6381 -17.3100 -17.3100 -17.2984 -17.2984 -17.2811 -17.2811 -17.2227 -17.2227 -7.8119 -7.8119 -7.7470 -7.7470 -6.9550 -6.9550 -6.9499 -6.9499 -6.8870 -6.8870 -6.8422 -6.8422 -3.4436 -3.4436 -3.1801 -3.1801 2.6658 2.6658 2.8531 2.8531 3.6180 3.6180 3.6476 3.6476 3.8816 3.8816 3.9578 3.9578 6.3848 6.3848 6.7540 6.7540 6.8258 6.8258 6.9576 6.9576 6.9725 6.9725 k = 0.0000 0.1667 0.3166 ( 8628 PWs) bands (ev): -36.3844 -36.3844 -36.3716 -36.3716 -23.0699 -23.0699 -23.0562 -23.0562 -17.6787 -17.6787 -17.6386 -17.6386 -17.3089 -17.3089 -17.2983 -17.2983 -17.2815 -17.2815 -17.2240 -17.2240 -7.8115 -7.8115 -7.7484 -7.7484 -6.9561 -6.9561 -6.9499 -6.9499 -6.8861 -6.8861 -6.8436 -6.8436 -3.4341 -3.4341 -3.1770 -3.1770 2.6618 2.6618 2.8332 2.8332 3.6145 3.6145 3.6323 3.6323 3.8784 3.8784 3.9507 3.9507 6.3948 6.3948 6.7587 6.7587 6.8708 6.8708 6.9780 6.9780 7.0010 7.0010 k = 0.0000 0.1833 0.3166 ( 8630 PWs) bands (ev): -36.3842 -36.3842 -36.3718 -36.3718 -23.0697 -23.0697 -23.0564 -23.0564 -17.6781 -17.6781 -17.6392 -17.6392 -17.3077 -17.3077 -17.2981 -17.2981 -17.2819 -17.2819 -17.2255 -17.2255 -7.8110 -7.8110 -7.7499 -7.7499 -6.9572 -6.9572 -6.9498 -6.9498 -6.8852 -6.8852 -6.8450 -6.8450 -3.4238 -3.4238 -3.1739 -3.1739 2.6560 2.6560 2.8106 2.8106 3.6070 3.6070 3.6239 3.6239 3.8759 3.8759 3.9449 3.9449 6.4062 6.4062 6.7628 6.7628 6.9162 6.9162 6.9812 6.9812 7.0451 7.0451 k = 0.0000 0.2000 0.3166 ( 8638 PWs) bands (ev): -36.3840 -36.3840 -36.3720 -36.3720 -23.0694 -23.0694 -23.0566 -23.0566 -17.6774 -17.6774 -17.6398 -17.6398 -17.3065 -17.3065 -17.2980 -17.2980 -17.2824 -17.2824 -17.2270 -17.2270 -7.8105 -7.8105 -7.7515 -7.7515 -6.9583 -6.9583 -6.9498 -6.9498 -6.8843 -6.8843 -6.8465 -6.8465 -3.4128 -3.4128 -3.1707 -3.1707 2.6481 2.6481 2.7855 2.7855 3.5951 3.5951 3.6235 3.6235 3.8741 3.8741 3.9405 3.9405 6.4190 6.4190 6.7660 6.7660 6.9611 6.9611 6.9816 6.9816 7.0891 7.0891 k = 0.0000 0.2167 0.3166 ( 8630 PWs) bands (ev): -36.3837 -36.3837 -36.3723 -36.3723 -23.0691 -23.0691 -23.0568 -23.0568 -17.6766 -17.6766 -17.6405 -17.6405 -17.3050 -17.3050 -17.2978 -17.2978 -17.2828 -17.2828 -17.2287 -17.2287 -7.8099 -7.8099 -7.7532 -7.7532 -6.9594 -6.9594 -6.9498 -6.9498 -6.8835 -6.8835 -6.8480 -6.8480 -3.4012 -3.4012 -3.1677 -3.1677 2.6380 2.6380 2.7582 2.7582 3.5839 3.5839 3.6265 3.6265 3.8730 3.8730 3.9375 3.9375 6.4334 6.4334 6.7681 6.7681 6.9779 6.9779 7.0063 7.0063 7.1310 7.1310 k = 0.0000 0.2333 0.3166 ( 8626 PWs) bands (ev): -36.3835 -36.3835 -36.3725 -36.3725 -23.0688 -23.0688 -23.0571 -23.0571 -17.6757 -17.6757 -17.6412 -17.6412 -17.3035 -17.3035 -17.2976 -17.2976 -17.2833 -17.2833 -17.2305 -17.2305 -7.8092 -7.8092 -7.7550 -7.7550 -6.9604 -6.9604 -6.9499 -6.9499 -6.8827 -6.8827 -6.8495 -6.8495 -3.3891 -3.3891 -3.1648 -3.1648 2.6258 2.6258 2.7292 2.7292 3.5753 3.5753 3.6314 3.6314 3.8726 3.8726 3.9359 3.9359 6.4492 6.4492 6.7687 6.7687 6.9716 6.9716 7.0493 7.0493 7.1531 7.1531 k = 0.0000 0.2500 0.3166 ( 8636 PWs) bands (ev): -36.3832 -36.3832 -36.3728 -36.3728 -23.0685 -23.0685 -23.0573 -23.0573 -17.6748 -17.6748 -17.6419 -17.6419 -17.3020 -17.3020 -17.2974 -17.2974 -17.2838 -17.2838 -17.2325 -17.2325 -7.8085 -7.8085 -7.7569 -7.7569 -6.9613 -6.9613 -6.9501 -6.9501 -6.8819 -6.8819 -6.8510 -6.8510 -3.3765 -3.3765 -3.1621 -3.1621 2.6113 2.6113 2.6991 2.6991 3.5696 3.5696 3.6377 3.6377 3.8728 3.8728 3.9357 3.9357 6.4667 6.4667 6.7676 6.7676 6.9619 6.9619 7.0899 7.0899 7.1384 7.1384 k = 0.0000 0.2667 0.3166 ( 8632 PWs) bands (ev): -36.3829 -36.3829 -36.3730 -36.3730 -23.0682 -23.0682 -23.0576 -23.0576 -17.6739 -17.6739 -17.6428 -17.6428 -17.3004 -17.3004 -17.2970 -17.2970 -17.2843 -17.2843 -17.2345 -17.2345 -7.8077 -7.8077 -7.7588 -7.7588 -6.9622 -6.9622 -6.9503 -6.9503 -6.8811 -6.8811 -6.8524 -6.8524 -3.3635 -3.3635 -3.1597 -3.1597 2.5948 2.5948 2.6683 2.6683 3.5672 3.5672 3.6448 3.6448 3.8737 3.8737 3.9369 3.9369 6.4859 6.4859 6.7644 6.7644 6.9492 6.9492 7.1078 7.1078 7.1391 7.1391 k = 0.0000 0.2833 0.3166 ( 8632 PWs) bands (ev): -36.3826 -36.3826 -36.3733 -36.3733 -23.0678 -23.0678 -23.0579 -23.0579 -17.6729 -17.6729 -17.6436 -17.6436 -17.2989 -17.2989 -17.2966 -17.2966 -17.2849 -17.2849 -17.2365 -17.2365 -7.8069 -7.8069 -7.7609 -7.7609 -6.9629 -6.9629 -6.9506 -6.9506 -6.8804 -6.8804 -6.8539 -6.8539 -3.3502 -3.3502 -3.1577 -3.1577 2.5767 2.5767 2.6374 2.6374 3.5679 3.5679 3.6524 3.6524 3.8752 3.8752 3.9394 3.9394 6.5068 6.5068 6.7588 6.7588 6.9337 6.9337 7.0900 7.0900 7.1740 7.1740 k = 0.0000 0.3000 0.3166 ( 8638 PWs) bands (ev): -36.3823 -36.3823 -36.3736 -36.3736 -23.0675 -23.0675 -23.0582 -23.0582 -17.6719 -17.6719 -17.6445 -17.6445 -17.2977 -17.2977 -17.2956 -17.2956 -17.2854 -17.2854 -17.2387 -17.2387 -7.8059 -7.8059 -7.7629 -7.7629 -6.9635 -6.9635 -6.9510 -6.9510 -6.8796 -6.8796 -6.8553 -6.8553 -3.3368 -3.3368 -3.1562 -3.1562 2.5574 2.5574 2.6069 2.6069 3.5715 3.5715 3.6599 3.6599 3.8774 3.8774 3.9431 3.9431 6.5295 6.5295 6.7508 6.7508 6.9160 6.9160 7.0714 7.0714 7.2095 7.2095 k = 0.0000 0.3167 0.3166 ( 8636 PWs) bands (ev): -36.3820 -36.3820 -36.3740 -36.3740 -23.0671 -23.0671 -23.0585 -23.0585 -17.6709 -17.6709 -17.6455 -17.6455 -17.2970 -17.2970 -17.2941 -17.2941 -17.2859 -17.2859 -17.2409 -17.2409 -7.8049 -7.8049 -7.7651 -7.7651 -6.9640 -6.9640 -6.9515 -6.9515 -6.8789 -6.8789 -6.8567 -6.8567 -3.3233 -3.3233 -3.1552 -3.1552 2.5373 2.5373 2.5774 2.5774 3.5775 3.5775 3.6671 3.6671 3.8802 3.8802 3.9478 3.9478 6.5541 6.5541 6.7403 6.7403 6.8964 6.8964 7.0558 7.0558 7.2422 7.2422 k = 0.0000 0.3333 0.3166 ( 8628 PWs) bands (ev): -36.3816 -36.3816 -36.3743 -36.3743 -23.0667 -23.0667 -23.0588 -23.0588 -17.6698 -17.6698 -17.6464 -17.6464 -17.2966 -17.2966 -17.2923 -17.2923 -17.2864 -17.2864 -17.2432 -17.2432 -7.8038 -7.8038 -7.7672 -7.7672 -6.9644 -6.9644 -6.9521 -6.9521 -6.8782 -6.8782 -6.8580 -6.8580 -3.3097 -3.3097 -3.1548 -3.1548 2.5168 2.5168 2.5491 2.5491 3.5855 3.5855 3.6737 3.6737 3.8839 3.8839 3.9532 3.9532 6.5804 6.5804 6.7277 6.7277 6.8753 6.8753 7.0442 7.0442 7.2710 7.2710 k = 0.0000 0.3500 0.3166 ( 8648 PWs) bands (ev): -36.3813 -36.3813 -36.3746 -36.3746 -23.0663 -23.0663 -23.0592 -23.0592 -17.6687 -17.6687 -17.6475 -17.6475 -17.2963 -17.2963 -17.2906 -17.2906 -17.2867 -17.2867 -17.2456 -17.2456 -7.8027 -7.8027 -7.7694 -7.7694 -6.9646 -6.9646 -6.9528 -6.9528 -6.8774 -6.8774 -6.8593 -6.8593 -3.2963 -3.2963 -3.1551 -3.1551 2.4967 2.4967 2.5226 2.5226 3.5949 3.5949 3.6794 3.6794 3.8885 3.8885 3.9588 3.9588 6.6086 6.6086 6.7138 6.7138 6.8531 6.8531 7.0371 7.0371 7.2945 7.2945 k = 0.0000 0.3667 0.3166 ( 8664 PWs) bands (ev): -36.3810 -36.3810 -36.3750 -36.3750 -23.0659 -23.0659 -23.0595 -23.0595 -17.6676 -17.6676 -17.6486 -17.6486 -17.2959 -17.2959 -17.2894 -17.2894 -17.2863 -17.2863 -17.2480 -17.2480 -7.8014 -7.8014 -7.7716 -7.7716 -6.9647 -6.9647 -6.9535 -6.9535 -6.8766 -6.8766 -6.8605 -6.8605 -3.2830 -3.2830 -3.1561 -3.1561 2.4772 2.4772 2.4980 2.4980 3.6053 3.6053 3.6840 3.6840 3.8942 3.8942 3.9644 3.9644 6.6387 6.6387 6.6995 6.6995 6.8303 6.8303 7.0345 7.0345 7.3111 7.3111 k = 0.0000 0.3833 0.3166 ( 8670 PWs) bands (ev): -36.3806 -36.3806 -36.3753 -36.3753 -23.0655 -23.0655 -23.0599 -23.0599 -17.6664 -17.6664 -17.6497 -17.6497 -17.2955 -17.2955 -17.2892 -17.2892 -17.2849 -17.2849 -17.2505 -17.2505 -7.8001 -7.8001 -7.7738 -7.7738 -6.9647 -6.9647 -6.9544 -6.9544 -6.8759 -6.8759 -6.8617 -6.8617 -3.2701 -3.2701 -3.1578 -3.1578 2.4590 2.4590 2.4757 2.4757 3.6161 3.6161 3.6874 3.6874 3.9009 3.9009 3.9693 3.9693 6.6700 6.6700 6.6866 6.6866 6.8072 6.8072 7.0363 7.0363 7.3029 7.3173 k = 0.0000 0.4000 0.3166 ( 8658 PWs) bands (ev): -36.3802 -36.3802 -36.3757 -36.3757 -23.0651 -23.0651 -23.0602 -23.0602 -17.6652 -17.6652 -17.6508 -17.6508 -17.2951 -17.2951 -17.2895 -17.2895 -17.2828 -17.2828 -17.2530 -17.2530 -7.7986 -7.7986 -7.7760 -7.7760 -6.9645 -6.9645 -6.9553 -6.9553 -6.8750 -6.8750 -6.8629 -6.8629 -3.2575 -3.2575 -3.1604 -3.1604 2.4424 2.4424 2.4559 2.4559 3.6269 3.6269 3.6896 3.6896 3.9086 3.9086 3.9732 3.9732 6.6732 6.6732 6.7054 6.7054 6.7841 6.7841 7.0423 7.0423 7.2484 7.2488 k = 0.0000 0.4167 0.3166 ( 8646 PWs) bands (ev): -36.3799 -36.3799 -36.3760 -36.3760 -23.0647 -23.0647 -23.0606 -23.0606 -17.6640 -17.6640 -17.6519 -17.6519 -17.2948 -17.2948 -17.2900 -17.2900 -17.2805 -17.2805 -17.2555 -17.2555 -7.7971 -7.7971 -7.7781 -7.7781 -6.9642 -6.9642 -6.9562 -6.9562 -6.8742 -6.8742 -6.8641 -6.8641 -3.2454 -3.2454 -3.1639 -3.1639 2.4279 2.4279 2.4387 2.4387 3.6374 3.6374 3.6905 3.6905 3.9172 3.9172 3.9758 3.9758 6.6642 6.6642 6.7408 6.7408 6.7616 6.7616 7.0523 7.0523 7.1949 7.1949 k = 0.0000 0.4333 0.3166 ( 8650 PWs) bands (ev): -36.3795 -36.3795 -36.3764 -36.3764 -23.0643 -23.0643 -23.0610 -23.0610 -17.6628 -17.6628 -17.6531 -17.6531 -17.2943 -17.2943 -17.2905 -17.2905 -17.2782 -17.2782 -17.2580 -17.2580 -7.7955 -7.7955 -7.7803 -7.7803 -6.9637 -6.9637 -6.9572 -6.9572 -6.8733 -6.8733 -6.8652 -6.8652 -3.2338 -3.2338 -3.1682 -3.1682 2.4158 2.4158 2.4242 2.4242 3.6472 3.6472 3.6902 3.6902 3.9264 3.9264 3.9766 3.9766 6.6583 6.6583 6.7397 6.7397 6.7788 6.7788 7.0660 7.0660 7.1426 7.1426 k = 0.0000 0.4500 0.3166 ( 8658 PWs) bands (ev): -36.3791 -36.3791 -36.3768 -36.3768 -23.0639 -23.0639 -23.0614 -23.0614 -17.6616 -17.6616 -17.6542 -17.6542 -17.2939 -17.2939 -17.2910 -17.2910 -17.2758 -17.2758 -17.2606 -17.2606 -7.7939 -7.7939 -7.7824 -7.7824 -6.9632 -6.9632 -6.9582 -6.9582 -6.8724 -6.8724 -6.8663 -6.8663 -3.2229 -3.2229 -3.1734 -3.1734 2.4063 2.4063 2.4126 2.4126 3.6562 3.6562 3.6886 3.6886 3.9359 3.9359 3.9756 3.9756 6.6560 6.6560 6.7195 6.7195 6.8182 6.8182 7.0831 7.0831 7.0919 7.0919 k = 0.0000 0.4667 0.3166 ( 8642 PWs) bands (ev): -36.3787 -36.3787 -36.3772 -36.3772 -23.0635 -23.0635 -23.0618 -23.0618 -17.6603 -17.6603 -17.6554 -17.6554 -17.2935 -17.2935 -17.2915 -17.2915 -17.2733 -17.2733 -17.2631 -17.2631 -7.7921 -7.7921 -7.7844 -7.7844 -6.9625 -6.9625 -6.9591 -6.9591 -6.8714 -6.8714 -6.8674 -6.8674 -3.2126 -3.2126 -3.1795 -3.1795 2.3997 2.3997 2.4039 2.4039 3.6642 3.6642 3.6860 3.6860 3.9452 3.9452 3.9728 3.9728 6.6577 6.6577 6.7013 6.7013 6.8596 6.8596 7.0420 7.0420 7.1044 7.1044 k = 0.0000 0.4833 0.3166 ( 8648 PWs) bands (ev): -36.3783 -36.3783 -36.3776 -36.3776 -23.0630 -23.0630 -23.0622 -23.0622 -17.6591 -17.6591 -17.6567 -17.6567 -17.2930 -17.2930 -17.2920 -17.2920 -17.2708 -17.2708 -17.2657 -17.2657 -7.7903 -7.7903 -7.7864 -7.7864 -6.9618 -6.9618 -6.9601 -6.9601 -6.8704 -6.8704 -6.8684 -6.8684 -3.2031 -3.2031 -3.1865 -3.1865 2.3962 2.3962 2.3982 2.3982 3.6712 3.6712 3.6821 3.6821 3.9539 3.9539 3.9680 3.9680 6.6634 6.6634 6.6855 6.6855 6.9027 6.9027 6.9940 6.9940 7.1287 7.1287 k = 0.0000 0.5000 0.3166 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7884 -7.7884 -7.7884 -7.7884 -6.9610 -6.9610 -6.9610 -6.9610 -6.8694 -6.8694 -6.8694 -6.8694 -3.1944 -3.1944 -3.1944 -3.1944 2.3956 2.3956 2.3956 2.3956 3.6772 3.6772 3.6772 3.6772 3.9617 3.9617 3.9617 3.9617 6.6727 6.6727 6.6727 6.6727 6.9475 6.9475 6.9475 6.9475 7.1560 7.1560 k = 0.0000 0.5000 0.3166 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7884 -7.7884 -7.7884 -7.7884 -6.9610 -6.9610 -6.9610 -6.9610 -6.8694 -6.8694 -6.8694 -6.8694 -3.1944 -3.1944 -3.1944 -3.1944 2.3956 2.3956 2.3956 2.3956 3.6772 3.6772 3.6772 3.6772 3.9617 3.9617 3.9617 3.9617 6.6727 6.6727 6.6727 6.6727 6.9475 6.9475 6.9475 6.9475 7.1560 7.1560 k = 0.0167 0.5000 0.3166 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6580 -17.6580 -17.6578 -17.6578 -17.2930 -17.2930 -17.2924 -17.2924 -17.2683 -17.2683 -17.2678 -17.2678 -7.7885 -7.7885 -7.7883 -7.7883 -6.9632 -6.9632 -6.9586 -6.9586 -6.8718 -6.8718 -6.8673 -6.8673 -3.1943 -3.1943 -3.1941 -3.1941 2.3936 2.3936 2.3985 2.3985 3.6635 3.6635 3.6890 3.6890 3.9509 3.9509 3.9706 3.9706 6.6732 6.6732 6.6759 6.6759 6.9378 6.9378 6.9383 6.9383 7.1637 7.1648 k = 0.0333 0.5000 0.3166 ( 8632 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6581 -17.6581 -17.6578 -17.6578 -17.2938 -17.2938 -17.2926 -17.2926 -17.2680 -17.2680 -17.2671 -17.2671 -7.7886 -7.7886 -7.7882 -7.7882 -6.9654 -6.9654 -6.9562 -6.9562 -6.8742 -6.8742 -6.8653 -6.8653 -3.1938 -3.1938 -3.1935 -3.1935 2.3923 2.3923 2.4022 2.4022 3.6480 3.6480 3.6988 3.6988 3.9386 3.9386 3.9779 3.9779 6.6773 6.6773 6.6825 6.6825 6.9131 6.9131 6.9141 6.9141 7.1851 7.1852 k = 0.0500 0.5000 0.3166 ( 8656 PWs) bands (ev): -36.3780 -36.3780 -36.3780 -36.3780 -23.0626 -23.0626 -23.0626 -23.0626 -17.6582 -17.6582 -17.6579 -17.6579 -17.2948 -17.2948 -17.2932 -17.2932 -17.2673 -17.2673 -17.2661 -17.2661 -7.7888 -7.7888 -7.7882 -7.7882 -6.9675 -6.9675 -6.9537 -6.9537 -6.8769 -6.8769 -6.8634 -6.8634 -3.1928 -3.1928 -3.1924 -3.1924 2.3918 2.3918 2.4067 2.4067 3.6307 3.6307 3.7066 3.7066 3.9249 3.9249 3.9835 3.9835 6.6847 6.6847 6.6923 6.6923 6.8796 6.8796 6.8809 6.8809 7.2140 7.2159 k = 0.0667 0.5000 0.3166 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6584 -17.6584 -17.6580 -17.6580 -17.2960 -17.2960 -17.2940 -17.2940 -17.2663 -17.2663 -17.2648 -17.2648 -7.7890 -7.7890 -7.7882 -7.7882 -6.9694 -6.9694 -6.9511 -6.9511 -6.8796 -6.8796 -6.8617 -6.8617 -3.1915 -3.1915 -3.1910 -3.1910 2.3919 2.3919 2.4119 2.4119 3.6117 3.6117 3.7121 3.7121 3.9102 3.9102 3.9875 3.9875 6.6950 6.6950 6.7044 6.7044 6.8422 6.8422 6.8434 6.8434 7.2452 7.2464 k = 0.0833 0.5000 0.3166 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6586 -17.6586 -17.6581 -17.6581 -17.2974 -17.2974 -17.2951 -17.2951 -17.2651 -17.2651 -17.2634 -17.2634 -7.7891 -7.7891 -7.7882 -7.7882 -6.9713 -6.9713 -6.9485 -6.9485 -6.8825 -6.8825 -6.8602 -6.8602 -3.1899 -3.1899 -3.1892 -3.1892 2.3928 2.3928 2.4177 2.4177 3.5911 3.5911 3.7150 3.7150 3.8951 3.8951 3.9903 3.9903 6.7069 6.7069 6.7168 6.7168 6.8046 6.8046 6.8048 6.8048 7.2793 7.2850 k = 0.1000 0.5000 0.3166 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6589 -17.6589 -17.6583 -17.6583 -17.2988 -17.2988 -17.2963 -17.2963 -17.2638 -17.2638 -17.2619 -17.2619 -7.7893 -7.7893 -7.7882 -7.7882 -6.9730 -6.9730 -6.9458 -6.9458 -6.8854 -6.8854 -6.8589 -6.8589 -3.1879 -3.1879 -3.1871 -3.1871 2.3942 2.3942 2.4241 2.4241 3.5693 3.5693 3.7151 3.7151 3.8803 3.8803 3.9919 3.9919 6.7167 6.7167 6.7206 6.7206 6.7691 6.7691 6.7772 6.7772 7.3113 7.3114 k = 0.1167 0.5000 0.3166 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6592 -17.6592 -17.6585 -17.6585 -17.3003 -17.3003 -17.2977 -17.2977 -17.2623 -17.2623 -17.2604 -17.2604 -7.7895 -7.7895 -7.7883 -7.7883 -6.9746 -6.9746 -6.9431 -6.9431 -6.8885 -6.8885 -6.8578 -6.8578 -3.1855 -3.1855 -3.1846 -3.1846 2.3961 2.3961 2.4309 2.4309 3.5464 3.5464 3.7120 3.7120 3.8666 3.8666 3.9925 3.9925 6.6979 6.6979 6.7045 6.7045 6.7571 6.7571 6.7774 6.7774 7.3438 7.3438 k = 0.1333 0.5000 0.3166 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6595 -17.6595 -17.6587 -17.6587 -17.3018 -17.3018 -17.2991 -17.2991 -17.2607 -17.2607 -17.2587 -17.2587 -7.7898 -7.7898 -7.7883 -7.7883 -6.9760 -6.9760 -6.9404 -6.9404 -6.8916 -6.8916 -6.8568 -6.8568 -3.1829 -3.1829 -3.1819 -3.1819 2.3983 2.3983 2.4380 2.4380 3.5229 3.5229 3.7056 3.7056 3.8546 3.8546 3.9923 3.9923 6.6610 6.6610 6.6693 6.6693 6.7696 6.7696 6.7932 6.7932 7.3750 7.3750 k = 0.1500 0.5000 0.3166 ( 8652 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6598 -17.6598 -17.6589 -17.6589 -17.3033 -17.3033 -17.3005 -17.3005 -17.2590 -17.2590 -17.2571 -17.2571 -7.7900 -7.7900 -7.7884 -7.7884 -6.9773 -6.9773 -6.9376 -6.9376 -6.8948 -6.8948 -6.8560 -6.8560 -3.1799 -3.1799 -3.1788 -3.1788 2.4008 2.4008 2.4452 2.4452 3.4992 3.4992 3.6958 3.6958 3.8445 3.8445 3.9912 3.9912 6.6216 6.6216 6.6303 6.6303 6.7872 6.7872 6.8128 6.8128 7.4043 7.4043 k = 0.1667 0.5000 0.3166 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6601 -17.6601 -17.6592 -17.6592 -17.3048 -17.3048 -17.3020 -17.3020 -17.2574 -17.2574 -17.2555 -17.2555 -7.7902 -7.7902 -7.7886 -7.7886 -6.9785 -6.9785 -6.9349 -6.9349 -6.8980 -6.8980 -6.8555 -6.8555 -3.1768 -3.1768 -3.1756 -3.1756 2.4034 2.4034 2.4524 2.4524 3.4756 3.4756 3.6834 3.6834 3.8363 3.8363 3.9894 3.9894 6.5824 6.5824 6.5916 6.5916 6.8059 6.8059 6.8331 6.8331 7.4308 7.4308 k = 0.1833 0.5000 0.3166 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0625 -23.0625 -23.0625 -23.0625 -17.6605 -17.6605 -17.6595 -17.6595 -17.3063 -17.3063 -17.3035 -17.3035 -17.2557 -17.2557 -17.2539 -17.2539 -7.7905 -7.7905 -7.7887 -7.7887 -6.9794 -6.9794 -6.9322 -6.9322 -6.9013 -6.9013 -6.8550 -6.8550 -3.1734 -3.1734 -3.1721 -3.1721 2.4059 2.4059 2.4593 2.4593 3.4528 3.4528 3.6691 3.6691 3.8295 3.8295 3.9868 3.9868 6.5443 6.5443 6.5539 6.5539 6.8244 6.8244 6.8531 6.8531 7.4538 7.4538 k = 0.2000 0.5000 0.3166 ( 8676 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6609 -17.6609 -17.6599 -17.6599 -17.3077 -17.3077 -17.3049 -17.3049 -17.2541 -17.2541 -17.2523 -17.2523 -7.7907 -7.7907 -7.7889 -7.7889 -6.9803 -6.9803 -6.9296 -6.9296 -6.9044 -6.9044 -6.8548 -6.8548 -3.1698 -3.1698 -3.1685 -3.1685 2.4084 2.4084 2.4656 2.4656 3.4311 3.4311 3.6540 3.6540 3.8234 3.8234 3.9834 3.9834 6.5077 6.5077 6.5178 6.5178 6.8420 6.8420 6.8719 6.8719 7.4729 7.4729 k = 0.2167 0.5000 0.3166 ( 8688 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6613 -17.6613 -17.6602 -17.6602 -17.3091 -17.3091 -17.3064 -17.3064 -17.2525 -17.2525 -17.2508 -17.2508 -7.7909 -7.7909 -7.7891 -7.7891 -6.9809 -6.9809 -6.9272 -6.9272 -6.9073 -6.9073 -6.8548 -6.8548 -3.1661 -3.1661 -3.1647 -3.1647 2.4106 2.4106 2.4712 2.4712 3.4113 3.4113 3.6390 3.6390 3.8176 3.8176 3.9791 3.9791 6.4730 6.4730 6.4835 6.4835 6.8581 6.8581 6.8889 6.8889 7.4881 7.4881 k = 0.2333 0.5000 0.3166 ( 8696 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0624 -23.0624 -23.0624 -23.0624 -17.6616 -17.6616 -17.6606 -17.6606 -17.3104 -17.3104 -17.3077 -17.3077 -17.2509 -17.2509 -17.2493 -17.2493 -7.7912 -7.7912 -7.7893 -7.7893 -6.9814 -6.9814 -6.9253 -6.9253 -6.9098 -6.9098 -6.8549 -6.8549 -3.1623 -3.1623 -3.1609 -3.1609 2.4125 2.4125 2.4758 2.4758 3.3936 3.3936 3.6248 3.6248 3.8115 3.8115 3.9738 3.9738 6.4403 6.4403 6.4512 6.4512 6.8723 6.8723 6.9036 6.9036 7.5000 7.5000 k = 0.2500 0.5000 0.3166 ( 8708 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6620 -17.6620 -17.6610 -17.6610 -17.3117 -17.3117 -17.3091 -17.3091 -17.2494 -17.2494 -17.2478 -17.2478 -7.7914 -7.7914 -7.7895 -7.7895 -6.9817 -6.9817 -6.9244 -6.9244 -6.9114 -6.9114 -6.8552 -6.8552 -3.1584 -3.1584 -3.1570 -3.1570 2.4139 2.4139 2.4793 2.4793 3.3786 3.3786 3.6121 3.6121 3.8048 3.8048 3.9676 3.9676 6.4098 6.4098 6.4211 6.4211 6.8841 6.8841 6.9155 6.9155 7.5096 7.5096 k = 0.2667 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6624 -17.6624 -17.6614 -17.6614 -17.3128 -17.3128 -17.3104 -17.3104 -17.2479 -17.2479 -17.2464 -17.2464 -7.7916 -7.7916 -7.7897 -7.7897 -6.9819 -6.9819 -6.9250 -6.9250 -6.9114 -6.9114 -6.8556 -6.8556 -3.1545 -3.1545 -3.1531 -3.1531 2.4148 2.4148 2.4814 2.4814 3.3666 3.3666 3.6011 3.6011 3.7973 3.7973 3.9602 3.9602 6.3817 6.3817 6.3932 6.3932 6.8932 6.8932 6.9242 6.9242 7.5183 7.5183 k = 0.2833 0.5000 0.3166 ( 8712 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6628 -17.6628 -17.6617 -17.6617 -17.3139 -17.3139 -17.3116 -17.3116 -17.2465 -17.2465 -17.2452 -17.2452 -7.7918 -7.7918 -7.7900 -7.7900 -6.9818 -6.9818 -6.9269 -6.9269 -6.9100 -6.9100 -6.8563 -6.8563 -3.1506 -3.1506 -3.1493 -3.1493 2.4153 2.4153 2.4821 2.4821 3.3579 3.3579 3.5923 3.5923 3.7889 3.7889 3.9516 3.9516 6.3559 6.3559 6.3677 6.3677 6.8993 6.8993 6.9295 6.9295 7.5270 7.5272 k = 0.3000 0.5000 0.3166 ( 8712 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0623 -23.0623 -23.0623 -23.0623 -17.6631 -17.6631 -17.6621 -17.6621 -17.3150 -17.3150 -17.3127 -17.3127 -17.2452 -17.2452 -17.2439 -17.2439 -7.7920 -7.7920 -7.7902 -7.7902 -6.9816 -6.9816 -6.9296 -6.9296 -6.9079 -6.9079 -6.8570 -6.8570 -3.1468 -3.1468 -3.1455 -3.1455 2.4153 2.4153 2.4813 2.4813 3.3527 3.3527 3.5857 3.5857 3.7794 3.7794 3.9419 3.9419 6.3327 6.3327 6.3445 6.3445 6.9025 6.9025 6.9315 6.9315 7.5367 7.5367 k = 0.3167 0.5000 0.3166 ( 8716 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6634 -17.6634 -17.6625 -17.6625 -17.3159 -17.3159 -17.3138 -17.3138 -17.2439 -17.2439 -17.2428 -17.2428 -7.7922 -7.7922 -7.7905 -7.7905 -6.9812 -6.9812 -6.9327 -6.9327 -6.9054 -6.9054 -6.8580 -6.8580 -3.1431 -3.1431 -3.1419 -3.1419 2.4149 2.4149 2.4791 2.4791 3.3511 3.3511 3.5814 3.5814 3.7689 3.7689 3.9309 3.9309 6.3119 6.3119 6.3236 6.3236 6.9029 6.9029 6.9303 6.9303 7.5476 7.5476 k = 0.3333 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6637 -17.6637 -17.6628 -17.6628 -17.3167 -17.3167 -17.3148 -17.3148 -17.2428 -17.2428 -17.2417 -17.2417 -7.7924 -7.7924 -7.7907 -7.7907 -6.9806 -6.9806 -6.9358 -6.9358 -6.9028 -6.9028 -6.8591 -6.8591 -3.1396 -3.1396 -3.1384 -3.1384 2.4142 2.4142 2.4756 2.4756 3.3531 3.3531 3.5792 3.5792 3.7576 3.7576 3.9186 3.9186 6.2936 6.2936 6.3051 6.3051 6.9008 6.9008 6.9263 6.9263 7.5598 7.5617 k = 0.3500 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6640 -17.6640 -17.6632 -17.6632 -17.3175 -17.3175 -17.3157 -17.3157 -17.2417 -17.2417 -17.2407 -17.2407 -7.7925 -7.7925 -7.7910 -7.7910 -6.9798 -6.9798 -6.9390 -6.9390 -6.9001 -6.9001 -6.8603 -6.8603 -3.1363 -3.1363 -3.1351 -3.1351 2.4132 2.4132 2.4709 2.4709 3.3585 3.3585 3.5787 3.5787 3.7459 3.7459 3.9052 3.9052 6.2777 6.2777 6.2888 6.2888 6.8968 6.8968 6.9202 6.9202 7.5727 7.5756 k = 0.3667 0.5000 0.3166 ( 8696 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0622 -23.0622 -23.0622 -23.0622 -17.6643 -17.6643 -17.6635 -17.6635 -17.3182 -17.3182 -17.3166 -17.3166 -17.2407 -17.2407 -17.2399 -17.2399 -7.7927 -7.7927 -7.7912 -7.7912 -6.9788 -6.9788 -6.9422 -6.9422 -6.8974 -6.8974 -6.8617 -6.8617 -3.1331 -3.1331 -3.1321 -3.1321 2.4122 2.4122 2.4654 2.4654 3.3670 3.3670 3.5794 3.5794 3.7342 3.7342 3.8905 3.8905 6.2641 6.2641 6.2746 6.2746 6.8913 6.8913 6.9124 6.9124 7.5857 7.5867 k = 0.3833 0.5000 0.3166 ( 8700 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6645 -17.6645 -17.6638 -17.6638 -17.3188 -17.3188 -17.3173 -17.3173 -17.2398 -17.2398 -17.2391 -17.2391 -7.7928 -7.7928 -7.7915 -7.7915 -6.9777 -6.9777 -6.9453 -6.9453 -6.8947 -6.8947 -6.8632 -6.8632 -3.1303 -3.1303 -3.1293 -3.1293 2.4112 2.4112 2.4591 2.4591 3.3784 3.3784 3.5802 3.5802 3.7234 3.7234 3.8749 3.8749 6.2527 6.2527 6.2624 6.2624 6.8850 6.8850 6.9037 6.9037 7.5984 7.5986 k = 0.4000 0.5000 0.3166 ( 8696 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6647 -17.6647 -17.6641 -17.6641 -17.3193 -17.3193 -17.3180 -17.3180 -17.2390 -17.2390 -17.2384 -17.2384 -7.7929 -7.7929 -7.7917 -7.7917 -6.9763 -6.9763 -6.9484 -6.9484 -6.8920 -6.8920 -6.8648 -6.8648 -3.1277 -3.1277 -3.1269 -3.1269 2.4105 2.4105 2.4525 2.4525 3.3924 3.3924 3.5800 3.5800 3.7148 3.7148 3.8583 3.8583 6.2433 6.2433 6.2521 6.2521 6.8784 6.8784 6.8946 6.8946 7.6098 7.6100 k = 0.4167 0.5000 0.3166 ( 8680 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6648 -17.6648 -17.6643 -17.6643 -17.3196 -17.3196 -17.3186 -17.3186 -17.2384 -17.2384 -17.2378 -17.2378 -7.7929 -7.7929 -7.7920 -7.7920 -6.9748 -6.9748 -6.9514 -6.9514 -6.8894 -6.8894 -6.8666 -6.8666 -3.1255 -3.1255 -3.1248 -3.1248 2.4102 2.4102 2.4459 2.4459 3.4085 3.4085 3.5769 3.5769 3.7099 3.7099 3.8410 3.8410 6.2359 6.2359 6.2436 6.2436 6.8721 6.8721 6.8858 6.8858 7.6196 7.6197 k = 0.4333 0.5000 0.3166 ( 8668 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6649 -17.6649 -17.6645 -17.6645 -17.3199 -17.3199 -17.3191 -17.3191 -17.2378 -17.2378 -17.2374 -17.2374 -7.7929 -7.7929 -7.7922 -7.7922 -6.9732 -6.9732 -6.9544 -6.9544 -6.8868 -6.8868 -6.8684 -6.8684 -3.1236 -3.1236 -3.1231 -3.1231 2.4104 2.4104 2.4393 2.4393 3.4263 3.4263 3.5697 3.5697 3.7100 3.7100 3.8231 3.8231 6.2303 6.2303 6.2366 6.2366 6.8665 6.8665 6.8775 6.8775 7.6277 7.6279 k = 0.4500 0.5000 0.3166 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6647 -17.6647 -17.3202 -17.3202 -17.3195 -17.3195 -17.2374 -17.2374 -17.2370 -17.2370 -7.7929 -7.7929 -7.7923 -7.7923 -6.9713 -6.9713 -6.9572 -6.9572 -6.8842 -6.8842 -6.8704 -6.8704 -3.1221 -3.1221 -3.1217 -3.1217 2.4112 2.4112 2.4332 2.4332 3.4455 3.4455 3.5583 3.5583 3.7152 3.7152 3.8050 3.8050 6.2263 6.2263 6.2312 6.2312 6.8621 6.8621 6.8704 6.8704 7.6339 7.6349 k = 0.4667 0.5000 0.3166 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6648 -17.6648 -17.3203 -17.3203 -17.3199 -17.3199 -17.2370 -17.2370 -17.2368 -17.2368 -7.7929 -7.7929 -7.7925 -7.7925 -6.9693 -6.9693 -6.9599 -6.9599 -6.8817 -6.8817 -6.8725 -6.8725 -3.1210 -3.1210 -3.1207 -3.1207 2.4129 2.4129 2.4276 2.4276 3.4655 3.4655 3.5431 3.5431 3.7247 3.7247 3.7870 3.7870 6.2238 6.2238 6.2271 6.2271 6.8591 6.8591 6.8647 6.8647 7.6382 7.6389 k = 0.4833 0.5000 0.3166 ( 8688 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6650 -17.6650 -17.3203 -17.3203 -17.3201 -17.3201 -17.2368 -17.2368 -17.2367 -17.2367 -7.7928 -7.7928 -7.7926 -7.7926 -6.9672 -6.9672 -6.9624 -6.9624 -6.8793 -6.8793 -6.8747 -6.8747 -3.1203 -3.1203 -3.1202 -3.1202 2.4153 2.4153 2.4227 2.4227 3.4858 3.4858 3.5254 3.5254 3.7376 3.7376 3.7694 3.7694 6.2226 6.2226 6.2243 6.2243 6.8578 6.8578 6.8606 6.8606 7.6409 7.6411 k = 0.5000 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6651 -17.6651 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8769 -6.8769 -6.8769 -6.8769 -3.1201 -3.1201 -3.1201 -3.1201 2.4186 2.4186 2.4186 2.4186 3.5060 3.5060 3.5060 3.5060 3.7528 3.7528 3.7528 3.7528 6.2228 6.2228 6.2228 6.2228 6.8583 6.8583 6.8583 6.8583 7.6418 7.6418 k = 0.5000 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6651 -17.6651 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8769 -6.8769 -6.8769 -6.8769 -3.1201 -3.1201 -3.1201 -3.1201 2.4186 2.4186 2.4186 2.4186 3.5060 3.5060 3.5060 3.5060 3.7528 3.7528 3.7528 3.7528 6.2228 6.2228 6.2228 6.2228 6.8583 6.8583 6.8583 6.8583 7.6418 7.6418 k = 0.4881 0.4881 0.3166 ( 8684 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6650 -17.6650 -17.3203 -17.3203 -17.3201 -17.3201 -17.2368 -17.2368 -17.2367 -17.2367 -7.7929 -7.7929 -7.7926 -7.7926 -6.9672 -6.9672 -6.9624 -6.9624 -6.8793 -6.8793 -6.8746 -6.8746 -3.1205 -3.1205 -3.1201 -3.1201 2.4151 2.4151 2.4228 2.4228 3.4855 3.4855 3.5257 3.5257 3.7374 3.7374 3.7697 3.7697 6.2221 6.2221 6.2249 6.2249 6.8577 6.8577 6.8607 6.8607 7.6403 7.6408 k = 0.4762 0.4762 0.3166 ( 8680 PWs) bands (ev): -36.3779 -36.3779 -36.3778 -36.3778 -23.0621 -23.0621 -23.0620 -23.0620 -17.6651 -17.6651 -17.6648 -17.6648 -17.3203 -17.3203 -17.3198 -17.3198 -17.2372 -17.2372 -17.2367 -17.2367 -7.7930 -7.7930 -7.7924 -7.7924 -6.9694 -6.9694 -6.9598 -6.9598 -6.8818 -6.8818 -6.8724 -6.8724 -3.1218 -3.1218 -3.1201 -3.1201 2.4120 2.4120 2.4286 2.4286 3.4638 3.4638 3.5449 3.5449 3.7238 3.7238 3.7878 3.7878 6.2209 6.2209 6.2301 6.2301 6.8588 6.8588 6.8653 6.8653 7.6359 7.6359 k = 0.4643 0.4643 0.3166 ( 8674 PWs) bands (ev): -36.3780 -36.3780 -36.3778 -36.3778 -23.0622 -23.0622 -23.0620 -23.0620 -17.6652 -17.6652 -17.6645 -17.6645 -17.3202 -17.3202 -17.3195 -17.3195 -17.2377 -17.2377 -17.2367 -17.2367 -7.7932 -7.7932 -7.7921 -7.7921 -6.9714 -6.9714 -6.9571 -6.9571 -6.8843 -6.8843 -6.8703 -6.8703 -3.1239 -3.1239 -3.1201 -3.1201 2.4089 2.4089 2.4362 2.4362 3.4408 3.4408 3.5638 3.5638 3.7121 3.7121 3.8067 3.8067 6.2190 6.2190 6.2386 6.2386 6.8612 6.8612 6.8724 6.8724 7.6286 7.6286 k = 0.4524 0.4524 0.3166 ( 8668 PWs) bands (ev): -36.3780 -36.3780 -36.3777 -36.3777 -23.0623 -23.0623 -23.0619 -23.0619 -17.6653 -17.6653 -17.6641 -17.6641 -17.3201 -17.3201 -17.3189 -17.3189 -17.2385 -17.2385 -17.2367 -17.2367 -7.7934 -7.7934 -7.7916 -7.7916 -6.9732 -6.9732 -6.9543 -6.9543 -6.8868 -6.8868 -6.8683 -6.8683 -3.1269 -3.1269 -3.1201 -3.1201 2.4056 2.4056 2.4461 2.4461 3.4165 3.4165 3.5825 3.5825 3.7024 3.7024 3.8261 3.8261 6.2166 6.2166 6.2505 6.2505 6.8651 6.8651 6.8819 6.8819 7.6182 7.6182 k = 0.4405 0.4405 0.3166 ( 8668 PWs) bands (ev): -36.3781 -36.3781 -36.3776 -36.3776 -23.0624 -23.0624 -23.0618 -23.0618 -17.6654 -17.6654 -17.6637 -17.6637 -17.3199 -17.3199 -17.3183 -17.3183 -17.2395 -17.2395 -17.2367 -17.2367 -7.7937 -7.7937 -7.7911 -7.7911 -6.9749 -6.9749 -6.9514 -6.9514 -6.8895 -6.8895 -6.8665 -6.8665 -3.1307 -3.1307 -3.1202 -3.1202 2.4023 2.4023 2.4584 2.4584 3.3908 3.3908 3.6010 3.6010 3.6946 3.6946 3.8456 3.8456 6.2141 6.2141 6.2656 6.2656 6.8703 6.8703 6.8941 6.8941 7.6047 7.6047 k = 0.4286 0.4286 0.3166 ( 8664 PWs) bands (ev): -36.3783 -36.3783 -36.3775 -36.3775 -23.0625 -23.0625 -23.0617 -23.0617 -17.6656 -17.6656 -17.6631 -17.6631 -17.3196 -17.3196 -17.3175 -17.3175 -17.2407 -17.2407 -17.2367 -17.2367 -7.7941 -7.7941 -7.7904 -7.7904 -6.9763 -6.9763 -6.9484 -6.9484 -6.8921 -6.8921 -6.8647 -6.8647 -3.1354 -3.1354 -3.1202 -3.1202 2.3991 2.3991 2.4731 2.4731 3.3639 3.3639 3.6192 3.6192 3.6885 3.6885 3.8649 3.8649 6.2118 6.2118 6.2838 6.2838 6.8772 6.8772 6.9088 6.9088 7.5881 7.5881 k = 0.4167 0.4167 0.3166 ( 8674 PWs) bands (ev): -36.3784 -36.3784 -36.3774 -36.3774 -23.0627 -23.0627 -23.0616 -23.0616 -17.6658 -17.6658 -17.6625 -17.6625 -17.3194 -17.3194 -17.3166 -17.3166 -17.2421 -17.2421 -17.2368 -17.2368 -7.7946 -7.7946 -7.7896 -7.7896 -6.9776 -6.9776 -6.9453 -6.9453 -6.8948 -6.8948 -6.8630 -6.8630 -3.1409 -3.1409 -3.1204 -3.1204 2.3964 2.3964 2.4902 2.4902 3.3360 3.3360 3.6369 3.6369 3.6839 3.6839 3.8839 3.8839 6.2100 6.2100 6.3049 6.3049 6.8856 6.8856 6.9260 6.9260 7.5686 7.5686 k = 0.4048 0.4048 0.3166 ( 8668 PWs) bands (ev): -36.3785 -36.3785 -36.3772 -36.3772 -23.0628 -23.0628 -23.0615 -23.0615 -17.6660 -17.6660 -17.6617 -17.6617 -17.3191 -17.3191 -17.3156 -17.3156 -17.2437 -17.2437 -17.2368 -17.2368 -7.7951 -7.7951 -7.7887 -7.7887 -6.9787 -6.9787 -6.9422 -6.9422 -6.8974 -6.8974 -6.8615 -6.8615 -3.1472 -3.1472 -3.1206 -3.1206 2.3944 2.3944 2.5097 2.5097 3.3074 3.3074 3.6538 3.6538 3.6805 3.6805 3.9022 3.9022 6.2091 6.2091 6.3288 6.3288 6.8958 6.8958 6.9456 6.9456 7.5463 7.5463 k = 0.3929 0.3929 0.3166 ( 8680 PWs) bands (ev): -36.3787 -36.3787 -36.3771 -36.3771 -23.0630 -23.0630 -23.0613 -23.0613 -17.6663 -17.6663 -17.6609 -17.6609 -17.3187 -17.3187 -17.3145 -17.3145 -17.2455 -17.2455 -17.2368 -17.2368 -7.7956 -7.7956 -7.7876 -7.7876 -6.9795 -6.9795 -6.9392 -6.9392 -6.9000 -6.9000 -6.8601 -6.8601 -3.1543 -3.1543 -3.1209 -3.1209 2.3934 2.3934 2.5316 2.5316 3.2784 3.2784 3.6693 3.6693 3.6785 3.6785 3.9197 3.9197 6.2096 6.2096 6.3552 6.3552 6.9077 6.9077 6.9675 6.9675 7.5216 7.5217 k = 0.3810 0.3810 0.3166 ( 8700 PWs) bands (ev): -36.3789 -36.3789 -36.3769 -36.3769 -23.0633 -23.0633 -23.0612 -23.0612 -17.6666 -17.6666 -17.6600 -17.6600 -17.3183 -17.3183 -17.3133 -17.3133 -17.2474 -17.2474 -17.2368 -17.2368 -7.7962 -7.7962 -7.7865 -7.7865 -6.9802 -6.9802 -6.9361 -6.9361 -6.9026 -6.9026 -6.8588 -6.8588 -3.1623 -3.1623 -3.1213 -3.1213 2.3937 2.3937 2.5558 2.5558 3.2493 3.2493 3.6756 3.6756 3.6851 3.6851 3.9363 3.9363 6.2117 6.2117 6.3839 6.3839 6.9213 6.9213 6.9916 6.9916 7.4950 7.4950 k = 0.3690 0.3690 0.3166 ( 8688 PWs) bands (ev): -36.3791 -36.3791 -36.3767 -36.3767 -23.0635 -23.0635 -23.0610 -23.0610 -17.6669 -17.6669 -17.6591 -17.6591 -17.3179 -17.3179 -17.3119 -17.3119 -17.2494 -17.2494 -17.2367 -17.2367 -7.7969 -7.7969 -7.7852 -7.7852 -6.9807 -6.9807 -6.9331 -6.9331 -6.9050 -6.9050 -6.8576 -6.8576 -3.1710 -3.1710 -3.1219 -3.1219 2.3956 2.3956 2.5821 2.5821 3.2204 3.2204 3.6746 3.6746 3.6980 3.6980 3.9518 3.9518 6.2156 6.2156 6.4147 6.4147 6.9367 6.9367 7.0178 7.0178 7.4670 7.4670 k = 0.3571 0.3571 0.3166 ( 8688 PWs) bands (ev): -36.3793 -36.3793 -36.3765 -36.3765 -23.0638 -23.0638 -23.0608 -23.0608 -17.6672 -17.6672 -17.6581 -17.6581 -17.3175 -17.3175 -17.3104 -17.3104 -17.2517 -17.2517 -17.2367 -17.2367 -7.7976 -7.7976 -7.7839 -7.7839 -6.9810 -6.9810 -6.9303 -6.9303 -6.9073 -6.9073 -6.8566 -6.8566 -3.1804 -3.1804 -3.1225 -3.1225 2.3991 2.3991 2.6105 2.6105 3.1919 3.1919 3.6735 3.6735 3.7097 3.7097 3.9662 3.9662 6.2215 6.2215 6.4471 6.4471 6.9538 6.9538 7.0456 7.0456 7.4382 7.4382 k = 0.3452 0.3452 0.3166 ( 8682 PWs) bands (ev): -36.3795 -36.3795 -36.3763 -36.3763 -23.0640 -23.0640 -23.0606 -23.0606 -17.6676 -17.6676 -17.6570 -17.6570 -17.3170 -17.3170 -17.3089 -17.3089 -17.2540 -17.2540 -17.2366 -17.2366 -7.7983 -7.7983 -7.7824 -7.7824 -6.9811 -6.9811 -6.9278 -6.9278 -6.9092 -6.9092 -6.8557 -6.8557 -3.1906 -3.1906 -3.1234 -3.1234 2.4045 2.4045 2.6408 2.6408 3.1643 3.1643 3.6723 3.6723 3.7199 3.7199 3.9792 3.9792 6.2295 6.2295 6.4809 6.4809 6.9723 6.9723 7.0751 7.0751 7.4091 7.4091 k = 0.3333 0.3333 0.3166 ( 8676 PWs) bands (ev): -36.3798 -36.3798 -36.3761 -36.3761 -23.0643 -23.0643 -23.0604 -23.0604 -17.6680 -17.6680 -17.6559 -17.6559 -17.3165 -17.3165 -17.3073 -17.3073 -17.2564 -17.2564 -17.2365 -17.2365 -7.7991 -7.7991 -7.7809 -7.7809 -6.9810 -6.9810 -6.9259 -6.9259 -6.9104 -6.9104 -6.8549 -6.8549 -3.2014 -3.2014 -3.1244 -3.1244 2.4118 2.4118 2.6728 2.6728 3.1378 3.1378 3.6705 3.6705 3.7288 3.7288 3.9910 3.9910 6.2394 6.2394 6.5157 6.5157 6.9922 6.9922 7.1056 7.1056 7.3802 7.3802 k = 0.3214 0.3214 0.3166 ( 8662 PWs) bands (ev): -36.3800 -36.3800 -36.3758 -36.3758 -23.0646 -23.0646 -23.0601 -23.0601 -17.6685 -17.6685 -17.6548 -17.6548 -17.3160 -17.3160 -17.3056 -17.3056 -17.2589 -17.2589 -17.2363 -17.2363 -7.7998 -7.7998 -7.7792 -7.7792 -6.9807 -6.9807 -6.9249 -6.9249 -6.9107 -6.9107 -6.8542 -6.8542 -3.2128 -3.2128 -3.1257 -3.1257 2.4211 2.4211 2.7063 2.7063 3.1129 3.1129 3.6681 3.6681 3.7366 3.7366 4.0012 4.0012 6.2509 6.2509 6.5511 6.5511 7.0130 7.0130 7.1368 7.1368 7.3519 7.3519 k = 0.3095 0.3095 0.3166 ( 8654 PWs) bands (ev): -36.3803 -36.3803 -36.3756 -36.3756 -23.0649 -23.0649 -23.0599 -23.0599 -17.6689 -17.6689 -17.6537 -17.6537 -17.3154 -17.3154 -17.3038 -17.3038 -17.2614 -17.2614 -17.2361 -17.2361 -7.8006 -7.8006 -7.7775 -7.7775 -6.9802 -6.9802 -6.9251 -6.9251 -6.9098 -6.9098 -6.8535 -6.8535 -3.2249 -3.2249 -3.1271 -3.1271 2.4322 2.4322 2.7407 2.7407 3.0900 3.0900 3.6647 3.6647 3.7438 3.7438 4.0100 4.0100 6.2639 6.2639 6.5865 6.5865 7.0346 7.0346 7.1681 7.1681 7.3246 7.3246 k = 0.2976 0.2976 0.3166 ( 8654 PWs) bands (ev): -36.3805 -36.3805 -36.3753 -36.3753 -23.0653 -23.0653 -23.0597 -23.0597 -17.6694 -17.6694 -17.6525 -17.6525 -17.3149 -17.3149 -17.3021 -17.3021 -17.2641 -17.2641 -17.2358 -17.2358 -7.8014 -7.8014 -7.7758 -7.7758 -6.9796 -6.9796 -6.9262 -6.9262 -6.9080 -6.9080 -6.8530 -6.8530 -3.2374 -3.2374 -3.1288 -3.1288 2.4453 2.4453 2.7756 2.7756 3.0699 3.0699 3.6602 3.6602 3.7507 3.7507 4.0173 4.0173 6.2778 6.2778 6.6214 6.6214 7.0565 7.0565 7.1987 7.1987 7.2987 7.2987 k = 0.2857 0.2857 0.3166 ( 8654 PWs) bands (ev): -36.3808 -36.3808 -36.3751 -36.3751 -23.0656 -23.0656 -23.0594 -23.0594 -17.6700 -17.6700 -17.6514 -17.6514 -17.3143 -17.3143 -17.3003 -17.3003 -17.2668 -17.2668 -17.2355 -17.2355 -7.8023 -7.8023 -7.7740 -7.7740 -6.9788 -6.9788 -6.9278 -6.9278 -6.9058 -6.9058 -6.8526 -6.8526 -3.2504 -3.2504 -3.1307 -3.1307 2.4599 2.4599 2.8097 2.8097 3.0536 3.0536 3.6547 3.6547 3.7574 3.7574 4.0229 4.0229 6.2921 6.2921 6.6552 6.6552 7.0781 7.0781 7.2277 7.2277 7.2748 7.2748 k = 0.2738 0.2738 0.3166 ( 8650 PWs) bands (ev): -36.3811 -36.3811 -36.3748 -36.3748 -23.0659 -23.0659 -23.0592 -23.0592 -17.6705 -17.6705 -17.6503 -17.6503 -17.3138 -17.3138 -17.2986 -17.2986 -17.2695 -17.2695 -17.2351 -17.2351 -7.8031 -7.8031 -7.7721 -7.7721 -6.9779 -6.9779 -6.9296 -6.9296 -6.9033 -6.9033 -6.8522 -6.8522 -3.2637 -3.2637 -3.1329 -3.1329 2.4761 2.4761 2.8414 2.8414 3.0430 3.0430 3.6483 3.6483 3.7644 3.7644 4.0268 4.0268 6.3066 6.3066 6.6874 6.6874 7.0987 7.0987 7.2490 7.2490 7.2582 7.2582 k = 0.2619 0.2619 0.3166 ( 8650 PWs) bands (ev): -36.3814 -36.3814 -36.3745 -36.3745 -23.0662 -23.0662 -23.0589 -23.0589 -17.6711 -17.6711 -17.6492 -17.6492 -17.3133 -17.3133 -17.2968 -17.2968 -17.2721 -17.2721 -17.2346 -17.2346 -7.8039 -7.8039 -7.7702 -7.7702 -6.9768 -6.9768 -6.9315 -6.9315 -6.9008 -6.9008 -6.8519 -6.8519 -3.2774 -3.2774 -3.1353 -3.1353 2.4935 2.4935 2.8675 2.8675 3.0411 3.0411 3.6414 3.6414 3.7717 3.7717 4.0291 4.0291 6.3205 6.3205 6.7171 6.7171 7.1173 7.1173 7.2329 7.2329 7.2777 7.2777 k = 0.2500 0.2500 0.3166 ( 8666 PWs) bands (ev): -36.3816 -36.3816 -36.3743 -36.3743 -23.0666 -23.0666 -23.0587 -23.0587 -17.6718 -17.6718 -17.6481 -17.6481 -17.3128 -17.3128 -17.2951 -17.2951 -17.2748 -17.2748 -17.2341 -17.2341 -7.8047 -7.8047 -7.7682 -7.7682 -6.9756 -6.9756 -6.9333 -6.9333 -6.8984 -6.8984 -6.8516 -6.8516 -3.2912 -3.2912 -3.1379 -3.1379 2.5117 2.5117 2.8845 2.8845 3.0513 3.0513 3.6342 3.6342 3.7794 3.7794 4.0296 4.0296 6.3336 6.3336 6.7436 6.7436 7.1329 7.1329 7.2173 7.2173 7.2943 7.2944 k = 0.2381 0.2381 0.3166 ( 8658 PWs) bands (ev): -36.3819 -36.3819 -36.3740 -36.3740 -23.0669 -23.0669 -23.0584 -23.0584 -17.6724 -17.6724 -17.6470 -17.6470 -17.3123 -17.3123 -17.2935 -17.2935 -17.2774 -17.2774 -17.2334 -17.2334 -7.8055 -7.8055 -7.7663 -7.7663 -6.9742 -6.9742 -6.9351 -6.9351 -6.8961 -6.8961 -6.8512 -6.8512 -3.3052 -3.3052 -3.1407 -3.1407 2.5305 2.5305 2.8918 2.8918 3.0743 3.0743 3.6273 3.6273 3.7877 3.7877 4.0285 4.0285 6.3454 6.3454 6.7663 6.7663 7.1440 7.1440 7.2055 7.2055 7.2693 7.2693 k = 0.2262 0.2262 0.3166 ( 8660 PWs) bands (ev): -36.3822 -36.3822 -36.3737 -36.3737 -23.0673 -23.0673 -23.0582 -23.0582 -17.6731 -17.6731 -17.6460 -17.6460 -17.3118 -17.3118 -17.2919 -17.2919 -17.2799 -17.2799 -17.2327 -17.2327 -7.8062 -7.8062 -7.7643 -7.7643 -6.9728 -6.9728 -6.9368 -6.9368 -6.8939 -6.8939 -6.8509 -6.8509 -3.3192 -3.3192 -3.1438 -3.1438 2.5493 2.5493 2.8920 2.8920 3.1071 3.1071 3.6211 3.6211 3.7964 3.7964 4.0258 4.0258 6.3557 6.3557 6.7845 6.7845 7.1494 7.1494 7.1978 7.1978 7.2412 7.2412 k = 0.2143 0.2143 0.3166 ( 8676 PWs) bands (ev): -36.3825 -36.3825 -36.3735 -36.3735 -23.0676 -23.0676 -23.0579 -23.0579 -17.6738 -17.6738 -17.6450 -17.6450 -17.3114 -17.3114 -17.2904 -17.2904 -17.2824 -17.2824 -17.2319 -17.2319 -7.8069 -7.8069 -7.7624 -7.7624 -6.9713 -6.9713 -6.9385 -6.9385 -6.8920 -6.8920 -6.8505 -6.8505 -3.3332 -3.3332 -3.1470 -3.1470 2.5679 2.5679 2.8889 2.8889 3.1459 3.1459 3.6162 3.6162 3.8056 3.8056 4.0215 4.0215 6.3643 6.3643 6.7979 6.7979 7.1490 7.1490 7.1918 7.1918 7.2154 7.2154 k = 0.2024 0.2024 0.3166 ( 8666 PWs) bands (ev): -36.3827 -36.3827 -36.3732 -36.3732 -23.0679 -23.0679 -23.0577 -23.0577 -17.6744 -17.6744 -17.6440 -17.6440 -17.3110 -17.3110 -17.2890 -17.2890 -17.2848 -17.2848 -17.2310 -17.2310 -7.8077 -7.8077 -7.7605 -7.7605 -6.9697 -6.9697 -6.9400 -6.9400 -6.8904 -6.8904 -6.8500 -6.8500 -3.3471 -3.3471 -3.1505 -3.1505 2.5857 2.5857 2.8848 2.8848 3.1882 3.1882 3.6129 3.6129 3.8153 3.8153 4.0158 4.0158 6.3711 6.3711 6.8063 6.8063 7.1429 7.1429 7.1780 7.1780 7.2003 7.2003 k = 0.1905 0.1905 0.3166 ( 8666 PWs) bands (ev): -36.3830 -36.3830 -36.3730 -36.3730 -23.0682 -23.0682 -23.0574 -23.0574 -17.6751 -17.6751 -17.6431 -17.6431 -17.3107 -17.3107 -17.2879 -17.2879 -17.2868 -17.2868 -17.2300 -17.2300 -7.8083 -7.8083 -7.7585 -7.7585 -6.9681 -6.9681 -6.9414 -6.9414 -6.8891 -6.8891 -6.8494 -6.8494 -3.3607 -3.3607 -3.1540 -3.1540 2.6024 2.6024 2.8810 2.8810 3.2323 3.2323 3.6117 3.6117 3.8254 3.8254 4.0089 4.0089 6.3761 6.3761 6.8101 6.8101 7.1296 7.1296 7.1541 7.1541 7.1985 7.1985 k = 0.1786 0.1786 0.3166 ( 8654 PWs) bands (ev): -36.3833 -36.3833 -36.3727 -36.3727 -23.0685 -23.0685 -23.0572 -23.0572 -17.6757 -17.6757 -17.6422 -17.6422 -17.3104 -17.3104 -17.2891 -17.2891 -17.2864 -17.2864 -17.2290 -17.2290 -7.8090 -7.8090 -7.7567 -7.7567 -6.9664 -6.9664 -6.9427 -6.9427 -6.8880 -6.8880 -6.8486 -6.8486 -3.3740 -3.3740 -3.1577 -3.1577 2.6175 2.6175 2.8781 2.8781 3.2773 3.2773 3.6126 3.6126 3.8360 3.8360 4.0010 4.0010 6.3793 6.3793 6.8098 6.8098 7.1078 7.1078 7.1287 7.1287 7.2020 7.2020 k = 0.1667 0.1667 0.3166 ( 8642 PWs) bands (ev): -36.3835 -36.3835 -36.3725 -36.3725 -23.0688 -23.0688 -23.0570 -23.0570 -17.6764 -17.6764 -17.6414 -17.6414 -17.3102 -17.3102 -17.2910 -17.2910 -17.2854 -17.2854 -17.2279 -17.2279 -7.8095 -7.8095 -7.7549 -7.7549 -6.9647 -6.9647 -6.9439 -6.9439 -6.8873 -6.8873 -6.8478 -6.8478 -3.3870 -3.3870 -3.1614 -3.1614 2.6307 2.6307 2.8765 2.8765 3.3225 3.3225 3.6159 3.6159 3.8469 3.8469 3.9924 3.9924 6.3809 6.3809 6.8064 6.8064 7.0773 7.0773 7.1037 7.1037 7.1888 7.1888 k = 0.1548 0.1548 0.3166 ( 8638 PWs) bands (ev): -36.3837 -36.3837 -36.3722 -36.3722 -23.0691 -23.0691 -23.0568 -23.0568 -17.6770 -17.6770 -17.6407 -17.6407 -17.3102 -17.3102 -17.2927 -17.2927 -17.2844 -17.2844 -17.2268 -17.2268 -7.8101 -7.8101 -7.7531 -7.7531 -6.9630 -6.9630 -6.9450 -6.9450 -6.8869 -6.8869 -6.8468 -6.8468 -3.3994 -3.3994 -3.1651 -3.1651 2.6419 2.6419 2.8762 2.8762 3.3671 3.3671 3.6215 3.6215 3.8580 3.8580 3.9836 3.9836 6.3810 6.3810 6.8006 6.8006 7.0391 7.0391 7.0797 7.0797 7.1478 7.1478 k = 0.1429 0.1429 0.3166 ( 8642 PWs) bands (ev): -36.3840 -36.3840 -36.3720 -36.3720 -23.0694 -23.0694 -23.0566 -23.0566 -17.6777 -17.6777 -17.6400 -17.6400 -17.3102 -17.3102 -17.2941 -17.2941 -17.2835 -17.2835 -17.2256 -17.2256 -7.8106 -7.8106 -7.7515 -7.7515 -6.9613 -6.9613 -6.9460 -6.9460 -6.8867 -6.8867 -6.8457 -6.8457 -3.4113 -3.4113 -3.1688 -3.1688 2.6511 2.6511 2.8773 2.8773 3.4107 3.4107 3.6291 3.6291 3.8691 3.8691 3.9751 3.9751 6.3798 6.3798 6.7931 6.7931 6.9949 6.9949 7.0571 7.0571 7.1032 7.1032 k = 0.1310 0.1310 0.3166 ( 8652 PWs) bands (ev): -36.3842 -36.3842 -36.3718 -36.3718 -23.0697 -23.0697 -23.0564 -23.0564 -17.6783 -17.6783 -17.6393 -17.6393 -17.3104 -17.3104 -17.2954 -17.2954 -17.2828 -17.2828 -17.2245 -17.2245 -7.8111 -7.8111 -7.7499 -7.7499 -6.9597 -6.9597 -6.9468 -6.9468 -6.8869 -6.8869 -6.8445 -6.8445 -3.4225 -3.4225 -3.1725 -3.1725 2.6582 2.6582 2.8797 2.8797 3.4525 3.4525 3.6385 3.6385 3.8797 3.8797 3.9678 3.9678 6.3776 6.3776 6.7847 6.7847 6.9469 6.9469 7.0358 7.0358 7.0571 7.0571 k = 0.1190 0.1190 0.3166 ( 8644 PWs) bands (ev): -36.3844 -36.3844 -36.3716 -36.3716 -23.0699 -23.0699 -23.0562 -23.0562 -17.6789 -17.6789 -17.6387 -17.6387 -17.3108 -17.3108 -17.2964 -17.2964 -17.2821 -17.2821 -17.2234 -17.2234 -7.8115 -7.8115 -7.7484 -7.7484 -6.9581 -6.9581 -6.9475 -6.9475 -6.8872 -6.8872 -6.8433 -6.8433 -3.4330 -3.4330 -3.1760 -3.1760 2.6633 2.6633 2.8832 2.8832 3.4918 3.4918 3.6493 3.6493 3.8889 3.8889 3.9628 3.9628 6.3746 6.3746 6.7759 6.7759 6.8968 6.8968 7.0104 7.0104 7.0161 7.0161 k = 0.1071 0.1071 0.3166 ( 8640 PWs) bands (ev): -36.3846 -36.3846 -36.3714 -36.3714 -23.0701 -23.0701 -23.0560 -23.0560 -17.6795 -17.6795 -17.6382 -17.6382 -17.3112 -17.3112 -17.2972 -17.2972 -17.2815 -17.2815 -17.2222 -17.2222 -7.8119 -7.8119 -7.7470 -7.7470 -6.9566 -6.9566 -6.9481 -6.9481 -6.8877 -6.8877 -6.8420 -6.8420 -3.4427 -3.4427 -3.1793 -3.1793 2.6669 2.6669 2.8875 2.8875 3.5280 3.5280 3.6610 3.6610 3.8958 3.8958 3.9617 3.9617 6.3711 6.3711 6.7671 6.7671 6.8463 6.8463 6.9648 6.9648 6.9978 6.9978 k = 0.0952 0.0952 0.3166 ( 8640 PWs) bands (ev): -36.3847 -36.3847 -36.3713 -36.3713 -23.0703 -23.0703 -23.0559 -23.0559 -17.6800 -17.6800 -17.6377 -17.6377 -17.3117 -17.3117 -17.2978 -17.2978 -17.2810 -17.2810 -17.2212 -17.2212 -7.8122 -7.8122 -7.7458 -7.7458 -6.9552 -6.9552 -6.9486 -6.9486 -6.8883 -6.8883 -6.8409 -6.8409 -3.4516 -3.4516 -3.1825 -3.1825 2.6690 2.6690 2.8924 2.8924 3.5600 3.5600 3.6734 3.6734 3.8995 3.8995 3.9654 3.9654 6.3671 6.3672 6.7585 6.7585 6.7971 6.7971 6.9208 6.9208 6.9811 6.9811 k = 0.0833 0.0833 0.3166 ( 8660 PWs) bands (ev): -36.3849 -36.3849 -36.3711 -36.3711 -23.0705 -23.0705 -23.0558 -23.0558 -17.6805 -17.6805 -17.6373 -17.6373 -17.3123 -17.3123 -17.2982 -17.2982 -17.2806 -17.2806 -17.2203 -17.2203 -7.8125 -7.8125 -7.7447 -7.7447 -6.9540 -6.9540 -6.9488 -6.9488 -6.8889 -6.8889 -6.8397 -6.8397 -3.4596 -3.4596 -3.1854 -3.1854 2.6701 2.6701 2.8977 2.8977 3.5870 3.5870 3.6862 3.6862 3.9009 3.9009 3.9731 3.9731 6.3631 6.3631 6.7487 6.7487 6.7522 6.7522 6.8795 6.8795 6.9662 6.9662 k = 0.0714 0.0714 0.3166 ( 8664 PWs) bands (ev): -36.3850 -36.3850 -36.3710 -36.3710 -23.0707 -23.0707 -23.0556 -23.0556 -17.6809 -17.6809 -17.6369 -17.6369 -17.3129 -17.3129 -17.2985 -17.2985 -17.2803 -17.2803 -17.2194 -17.2194 -7.8128 -7.8128 -7.7437 -7.7437 -6.9532 -6.9532 -6.9489 -6.9489 -6.8896 -6.8896 -6.8387 -6.8387 -3.4666 -3.4666 -3.1880 -3.1880 2.6703 2.6703 2.9031 2.9031 3.6083 3.6083 3.6993 3.6993 3.9017 3.9017 3.9832 3.9832 6.3591 6.3591 6.7071 6.7071 6.7435 6.7435 6.8417 6.8417 6.9531 6.9531 k = 0.0595 0.0595 0.3166 ( 8664 PWs) bands (ev): -36.3851 -36.3851 -36.3709 -36.3709 -23.0708 -23.0708 -23.0555 -23.0555 -17.6812 -17.6812 -17.6366 -17.6366 -17.3134 -17.3134 -17.2987 -17.2987 -17.2800 -17.2800 -17.2186 -17.2186 -7.8130 -7.8130 -7.7428 -7.7428 -6.9526 -6.9526 -6.9486 -6.9486 -6.8903 -6.8903 -6.8378 -6.8378 -3.4726 -3.4726 -3.1903 -3.1903 2.6700 2.6700 2.9082 2.9082 3.6240 3.6240 3.7119 3.7119 3.9028 3.9028 3.9941 3.9941 6.3553 6.3553 6.6688 6.6688 6.7372 6.7372 6.8083 6.8083 6.9419 6.9419 k = 0.0476 0.0476 0.3166 ( 8656 PWs) bands (ev): -36.3852 -36.3852 -36.3708 -36.3708 -23.0709 -23.0709 -23.0554 -23.0554 -17.6815 -17.6815 -17.6363 -17.6363 -17.3139 -17.3139 -17.2988 -17.2988 -17.2797 -17.2797 -17.2180 -17.2180 -7.8132 -7.8132 -7.7421 -7.7421 -6.9523 -6.9523 -6.9482 -6.9482 -6.8909 -6.8909 -6.8370 -6.8370 -3.4776 -3.4776 -3.1922 -3.1922 2.6695 2.6695 2.9129 2.9129 3.6346 3.6346 3.7234 3.7234 3.9049 3.9049 4.0045 4.0045 6.3519 6.3519 6.6362 6.6362 6.7319 6.7319 6.7799 6.7799 6.9327 6.9327 k = 0.0357 0.0357 0.3166 ( 8656 PWs) bands (ev): -36.3853 -36.3853 -36.3707 -36.3707 -23.0710 -23.0710 -23.0554 -23.0554 -17.6818 -17.6818 -17.6361 -17.6361 -17.3143 -17.3143 -17.2988 -17.2988 -17.2796 -17.2796 -17.2175 -17.2175 -7.8133 -7.8133 -7.7416 -7.7416 -6.9522 -6.9522 -6.9477 -6.9477 -6.8914 -6.8914 -6.8364 -6.8364 -3.4814 -3.4814 -3.1937 -3.1937 2.6688 2.6688 2.9168 2.9168 3.6414 3.6414 3.7329 3.7329 3.9075 3.9075 4.0135 4.0135 6.3490 6.3490 6.6100 6.6100 6.7277 6.7277 6.7571 6.7571 6.9254 6.9254 k = 0.0238 0.0238 0.3166 ( 8662 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6819 -17.6819 -17.6360 -17.6360 -17.3146 -17.3146 -17.2989 -17.2989 -17.2795 -17.2795 -17.2171 -17.2171 -7.8134 -7.8134 -7.7412 -7.7412 -6.9522 -6.9522 -6.9473 -6.9473 -6.8918 -6.8918 -6.8359 -6.8359 -3.4842 -3.4842 -3.1948 -3.1948 2.6683 2.6683 2.9198 2.9198 3.6455 3.6455 3.7398 3.7398 3.9101 3.9101 4.0204 4.0204 6.3468 6.3468 6.5909 6.5909 6.7247 6.7247 6.7405 6.7405 6.9202 6.9202 k = 0.0119 0.0119 0.3166 ( 8666 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6820 -17.6820 -17.6359 -17.6359 -17.3148 -17.3148 -17.2989 -17.2989 -17.2794 -17.2794 -17.2169 -17.2169 -7.8135 -7.8135 -7.7409 -7.7409 -6.9522 -6.9522 -6.9470 -6.9470 -6.8921 -6.8921 -6.8356 -6.8356 -3.4859 -3.4859 -3.1955 -3.1955 2.6679 2.6679 2.9216 2.9216 3.6475 3.6475 3.7440 3.7440 3.9120 3.9120 4.0247 4.0247 6.3455 6.3455 6.5792 6.5792 6.7228 6.7228 6.7304 6.7304 6.9171 6.9171 k = 0.0000 0.0000 0.3166 ( 8674 PWs) bands (ev): -36.3854 -36.3854 -36.3707 -36.3707 -23.0711 -23.0711 -23.0553 -23.0553 -17.6821 -17.6821 -17.6359 -17.6359 -17.3149 -17.3149 -17.2989 -17.2989 -17.2794 -17.2794 -17.2168 -17.2168 -7.8135 -7.8135 -7.7408 -7.7408 -6.9522 -6.9522 -6.9469 -6.9469 -6.8922 -6.8922 -6.8355 -6.8355 -3.4865 -3.4865 -3.1957 -3.1957 2.6677 2.6677 2.9222 2.9222 3.6482 3.6482 3.7454 3.7454 3.9127 3.9127 4.0262 4.0262 6.3450 6.3450 6.5753 6.5753 6.7222 6.7222 6.7270 6.7270 6.9160 6.9160 k = 0.0000 0.5000-0.0000 ( 8634 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9582 -6.9582 -6.9582 -6.9582 -6.8711 -6.8711 -6.8711 -6.8711 -3.2128 -3.2128 -3.2128 -3.2128 2.6084 2.6084 2.6084 2.6084 3.5964 3.5964 3.5964 3.5964 3.8869 3.8869 3.8869 3.8869 6.6367 6.6367 6.6367 6.6367 6.8806 6.8806 6.8806 6.8806 7.0907 7.0907 k = 0.0000 0.5000 0.0167 ( 8638 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9582 -6.9582 -6.9582 -6.9582 -6.8711 -6.8711 -6.8711 -6.8711 -3.2127 -3.2127 -3.2127 -3.2127 2.6067 2.6067 2.6067 2.6067 3.5973 3.5973 3.5973 3.5973 3.8874 3.8874 3.8874 3.8874 6.6366 6.6366 6.6366 6.6366 6.8810 6.8810 6.8810 6.8810 7.0911 7.0911 k = 0.0000 0.5000 0.0333 ( 8642 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9582 -6.9582 -6.9582 -6.9582 -6.8711 -6.8711 -6.8711 -6.8711 -3.2123 -3.2123 -3.2123 -3.2123 2.6016 2.6016 2.6016 2.6016 3.5999 3.5999 3.5999 3.5999 3.8887 3.8887 3.8887 3.8887 6.6366 6.6366 6.6366 6.6366 6.8823 6.8823 6.8823 6.8823 7.0923 7.0923 k = 0.0000 0.5000 0.0500 ( 8624 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9583 -6.9583 -6.9583 -6.9583 -6.8710 -6.8710 -6.8710 -6.8710 -3.2117 -3.2117 -3.2117 -3.2117 2.5935 2.5935 2.5935 2.5935 3.6041 3.6041 3.6041 3.6041 3.8909 3.8909 3.8909 3.8909 6.6367 6.6367 6.6367 6.6367 6.8844 6.8844 6.8844 6.8844 7.0942 7.0942 k = 0.0000 0.5000 0.0667 ( 8626 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7877 -7.7877 -7.7877 -7.7877 -6.9585 -6.9585 -6.9585 -6.9585 -6.8709 -6.8709 -6.8709 -6.8709 -3.2109 -3.2109 -3.2109 -3.2109 2.5825 2.5825 2.5825 2.5825 3.6096 3.6096 3.6096 3.6096 3.8940 3.8940 3.8940 3.8940 6.6369 6.6369 6.6369 6.6369 6.8873 6.8873 6.8873 6.8873 7.0968 7.0968 k = 0.0000 0.5000 0.0833 ( 8626 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7878 -7.7878 -7.7878 -7.7878 -6.9586 -6.9586 -6.9586 -6.9586 -6.8708 -6.8708 -6.8708 -6.8708 -3.2098 -3.2098 -3.2098 -3.2098 2.5692 2.5692 2.5692 2.5692 3.6160 3.6160 3.6160 3.6160 3.8978 3.8978 3.8978 3.8978 6.6375 6.6375 6.6375 6.6375 6.8908 6.8908 6.8908 6.8908 7.1001 7.1001 k = 0.0000 0.5000 0.1000 ( 8632 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7878 -7.7878 -7.7878 -7.7878 -6.9588 -6.9588 -6.9588 -6.9588 -6.8707 -6.8707 -6.8707 -6.8707 -3.2087 -3.2087 -3.2087 -3.2087 2.5541 2.5541 2.5541 2.5541 3.6230 3.6230 3.6230 3.6230 3.9024 3.9024 3.9024 3.9024 6.6384 6.6384 6.6384 6.6384 6.8950 6.8950 6.8950 6.8950 7.1041 7.1041 k = 0.0000 0.5000 0.1167 ( 8622 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7879 -7.7879 -7.7879 -7.7879 -6.9590 -6.9590 -6.9590 -6.9590 -6.8706 -6.8706 -6.8706 -6.8706 -3.2073 -3.2073 -3.2073 -3.2073 2.5376 2.5376 2.5376 2.5376 3.6302 3.6302 3.6302 3.6302 3.9076 3.9076 3.9076 3.9076 6.6398 6.6398 6.6398 6.6398 6.8997 6.8997 6.8997 6.8997 7.1085 7.1085 k = 0.0000 0.5000 0.1333 ( 8622 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7879 -7.7879 -7.7879 -7.7879 -6.9592 -6.9592 -6.9592 -6.9592 -6.8705 -6.8705 -6.8705 -6.8705 -3.2059 -3.2059 -3.2059 -3.2059 2.5203 2.5203 2.5203 2.5203 3.6374 3.6374 3.6374 3.6374 3.9133 3.9133 3.9133 3.9133 6.6417 6.6417 6.6417 6.6417 6.9048 6.9048 6.9048 6.9048 7.1135 7.1135 k = 0.0000 0.5000 0.1500 ( 8646 PWs) bands (ev): -36.3780 -36.3780 -36.3780 -36.3780 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7880 -7.7880 -7.7880 -7.7880 -6.9595 -6.9595 -6.9595 -6.9595 -6.8703 -6.8703 -6.8703 -6.8703 -3.2044 -3.2044 -3.2044 -3.2044 2.5028 2.5028 2.5028 2.5028 3.6442 3.6442 3.6442 3.6442 3.9194 3.9194 3.9194 3.9194 6.6442 6.6442 6.6442 6.6442 6.9101 6.9101 6.9101 6.9101 7.1187 7.1187 k = 0.0000 0.5000 0.1666 ( 8650 PWs) bands (ev): -36.3780 -36.3780 -36.3780 -36.3780 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7881 -7.7881 -7.7881 -7.7881 -6.9597 -6.9597 -6.9597 -6.9597 -6.8702 -6.8702 -6.8702 -6.8702 -3.2029 -3.2029 -3.2029 -3.2029 2.4854 2.4854 2.4854 2.4854 3.6506 3.6506 3.6506 3.6506 3.9257 3.9257 3.9257 3.9257 6.6472 6.6472 6.6472 6.6472 6.9157 6.9157 6.9157 6.9157 7.1241 7.1241 k = 0.0000 0.5000 0.1833 ( 8646 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7881 -7.7881 -7.7881 -7.7881 -6.9599 -6.9599 -6.9599 -6.9599 -6.8701 -6.8701 -6.8701 -6.8701 -3.2014 -3.2014 -3.2014 -3.2014 2.4687 2.4687 2.4687 2.4687 3.6563 3.6563 3.6563 3.6563 3.9320 3.9320 3.9320 3.9320 6.6507 6.6507 6.6507 6.6507 6.9211 6.9211 6.9211 6.9212 7.1296 7.1296 k = 0.0000 0.5000 0.2000 ( 8638 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7882 -7.7882 -7.7882 -7.7882 -6.9601 -6.9601 -6.9601 -6.9601 -6.8699 -6.8699 -6.8699 -6.8699 -3.1999 -3.1999 -3.1999 -3.1999 2.4530 2.4530 2.4530 2.4530 3.6614 3.6614 3.6614 3.6614 3.9381 3.9381 3.9381 3.9381 6.6544 6.6544 6.6544 6.6544 6.9265 6.9265 6.9265 6.9265 7.1349 7.1349 k = 0.0000 0.5000 0.2166 ( 8646 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7882 -7.7882 -7.7882 -7.7882 -6.9603 -6.9603 -6.9603 -6.9603 -6.8698 -6.8698 -6.8698 -6.8698 -3.1986 -3.1986 -3.1986 -3.1986 2.4387 2.4387 2.4387 2.4387 3.6657 3.6657 3.6657 3.6657 3.9438 3.9438 3.9438 3.9438 6.6583 6.6583 6.6583 6.6583 6.9315 6.9315 6.9315 6.9315 7.1399 7.1399 k = 0.0000 0.5000 0.2333 ( 8640 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7883 -7.7883 -7.7883 -7.7883 -6.9605 -6.9605 -6.9605 -6.9605 -6.8697 -6.8697 -6.8697 -6.8697 -3.1974 -3.1974 -3.1974 -3.1974 2.4261 2.4261 2.4261 2.4261 3.6693 3.6693 3.6693 3.6693 3.9489 3.9489 3.9489 3.9489 6.6621 6.6621 6.6621 6.6621 6.9360 6.9360 6.9360 6.9360 7.1445 7.1445 k = 0.0000 0.5000 0.2500 ( 8640 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7883 -7.7883 -7.7883 -7.7883 -6.9607 -6.9607 -6.9607 -6.9607 -6.8696 -6.8696 -6.8696 -6.8696 -3.1964 -3.1964 -3.1964 -3.1964 2.4154 2.4154 2.4154 2.4154 3.6722 3.6722 3.6722 3.6722 3.9533 3.9533 3.9533 3.9533 6.6656 6.6656 6.6656 6.6656 6.9400 6.9400 6.9400 6.9400 7.1484 7.1484 k = 0.0000 0.5000 0.2666 ( 8644 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7884 -7.7884 -7.7884 -7.7884 -6.9608 -6.9608 -6.9608 -6.9608 -6.8695 -6.8695 -6.8695 -6.8695 -3.1955 -3.1955 -3.1955 -3.1955 2.4069 2.4069 2.4069 2.4069 3.6744 3.6744 3.6744 3.6744 3.9569 3.9569 3.9569 3.9569 6.6685 6.6685 6.6685 6.6685 6.9432 6.9432 6.9432 6.9432 7.1517 7.1517 k = 0.0000 0.5000 0.2833 ( 8632 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2682 -17.2682 -17.2682 -17.2682 -7.7884 -7.7884 -7.7884 -7.7884 -6.9609 -6.9609 -6.9609 -6.9609 -6.8695 -6.8695 -6.8695 -6.8695 -3.1949 -3.1949 -3.1949 -3.1949 2.4007 2.4007 2.4007 2.4007 3.6760 3.6760 3.6760 3.6760 3.9595 3.9595 3.9595 3.9595 6.6708 6.6708 6.6708 6.6708 6.9456 6.9456 6.9456 6.9456 7.1540 7.1540 k = 0.0000 0.5000 0.3000 ( 8652 PWs) bands (ev): -36.3780 -36.3780 -36.3780 -36.3780 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7884 -7.7884 -7.7884 -7.7884 -6.9609 -6.9609 -6.9609 -6.9609 -6.8695 -6.8695 -6.8695 -6.8695 -3.1945 -3.1945 -3.1945 -3.1945 2.3969 2.3969 2.3969 2.3969 3.6769 3.6769 3.6769 3.6769 3.9611 3.9611 3.9611 3.9611 6.6723 6.6723 6.6723 6.6723 6.9470 6.9470 6.9470 6.9470 7.1555 7.1555 k = 0.0000 0.5000 0.3166 ( 8648 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0626 -23.0626 -23.0626 -23.0626 -17.6579 -17.6579 -17.6579 -17.6579 -17.2925 -17.2925 -17.2925 -17.2925 -17.2683 -17.2683 -17.2683 -17.2683 -7.7884 -7.7884 -7.7884 -7.7884 -6.9610 -6.9610 -6.9610 -6.9610 -6.8694 -6.8694 -6.8694 -6.8694 -3.1944 -3.1944 -3.1944 -3.1944 2.3956 2.3956 2.3956 2.3956 3.6772 3.6772 3.6772 3.6772 3.9617 3.9617 3.9617 3.9617 6.6727 6.6727 6.6727 6.6727 6.9475 6.9475 6.9475 6.9475 7.1560 7.1560 k = 0.5000 0.5000-0.0000 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2366 -17.2366 -17.2366 -17.2366 -7.7927 -7.7927 -7.7927 -7.7927 -6.9655 -6.9655 -6.9655 -6.9655 -6.8753 -6.8753 -6.8753 -6.8753 -3.1324 -3.1324 -3.1324 -3.1324 2.4498 2.4498 2.4498 2.4498 3.5942 3.5942 3.5942 3.5942 3.9420 3.9420 3.9420 3.9420 5.6794 5.6794 5.6794 5.6794 6.5494 6.5494 6.5494 6.5494 7.7637 7.7637 k = 0.5000 0.5000 0.0167 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2366 -17.2366 -17.2366 -17.2366 -7.7927 -7.7927 -7.7927 -7.7927 -6.9655 -6.9655 -6.9655 -6.9655 -6.8753 -6.8753 -6.8753 -6.8753 -3.1324 -3.1324 -3.1324 -3.1324 2.4495 2.4495 2.4495 2.4495 3.5940 3.5940 3.5940 3.5940 3.9399 3.9399 3.9399 3.9399 5.6834 5.6834 5.6834 5.6834 6.5511 6.5511 6.5511 6.5511 7.7635 7.7635 k = 0.5000 0.5000 0.0333 ( 8656 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2366 -17.2366 -17.2366 -17.2366 -7.7927 -7.7927 -7.7927 -7.7927 -6.9655 -6.9655 -6.9655 -6.9655 -6.8753 -6.8753 -6.8753 -6.8753 -3.1321 -3.1321 -3.1321 -3.1321 2.4489 2.4489 2.4489 2.4489 3.5931 3.5931 3.5931 3.5931 3.9338 3.9338 3.9338 3.9338 5.6952 5.6952 5.6952 5.6952 6.5561 6.5561 6.5561 6.5561 7.7627 7.7627 k = 0.5000 0.5000 0.0500 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9654 -6.9654 -6.9654 -6.9654 -6.8754 -6.8754 -6.8754 -6.8754 -3.1317 -3.1317 -3.1317 -3.1317 2.4479 2.4479 2.4479 2.4479 3.5917 3.5917 3.5917 3.5917 3.9241 3.9241 3.9241 3.9241 5.7143 5.7143 5.7143 5.7143 6.5644 6.5644 6.5644 6.5644 7.7614 7.7614 k = 0.5000 0.5000 0.0667 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9654 -6.9654 -6.9654 -6.9654 -6.8755 -6.8755 -6.8755 -6.8755 -3.1311 -3.1311 -3.1311 -3.1311 2.4464 2.4464 2.4464 2.4464 3.5896 3.5896 3.5896 3.5896 3.9113 3.9113 3.9113 3.9113 5.7402 5.7402 5.7402 5.7402 6.5759 6.5759 6.5759 6.5759 7.7595 7.7595 k = 0.5000 0.5000 0.0833 ( 8688 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9654 -6.9654 -6.9654 -6.9654 -6.8756 -6.8756 -6.8756 -6.8756 -3.1305 -3.1305 -3.1305 -3.1305 2.4447 2.4447 2.4447 2.4447 3.5868 3.5868 3.5868 3.5868 3.8961 3.8961 3.8961 3.8961 5.7719 5.7719 5.7719 5.7719 6.5903 6.5903 6.5903 6.5903 7.7567 7.7567 k = 0.5000 0.5000 0.1000 ( 8684 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9653 -6.9653 -6.9653 -6.9653 -6.8757 -6.8757 -6.8757 -6.8757 -3.1296 -3.1296 -3.1296 -3.1296 2.4426 2.4426 2.4426 2.4426 3.5832 3.5832 3.5832 3.5832 3.8794 3.8794 3.8794 3.8794 5.8084 5.8084 5.8084 5.8084 6.6074 6.6074 6.6074 6.6074 7.7529 7.7529 k = 0.5000 0.5000 0.1167 ( 8684 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9653 -6.9653 -6.9653 -6.9653 -6.8758 -6.8758 -6.8758 -6.8758 -3.1288 -3.1288 -3.1288 -3.1288 2.4403 2.4403 2.4403 2.4403 3.5787 3.5787 3.5787 3.5787 3.8620 3.8620 3.8620 3.8620 5.8486 5.8486 5.8486 5.8486 6.6271 6.6271 6.6271 6.6271 7.7479 7.7479 k = 0.5000 0.5000 0.1333 ( 8692 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6651 -17.6651 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9653 -6.9653 -6.9653 -6.9653 -6.8759 -6.8759 -6.8759 -6.8759 -3.1278 -3.1278 -3.1278 -3.1278 2.4379 2.4379 2.4379 2.4379 3.5733 3.5733 3.5733 3.5733 3.8446 3.8446 3.8446 3.8446 5.8913 5.8913 5.8913 5.8913 6.6489 6.6489 6.6489 6.6489 7.7416 7.7416 k = 0.5000 0.5000 0.1500 ( 8680 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9652 -6.9652 -6.9652 -6.9652 -6.8760 -6.8760 -6.8760 -6.8760 -3.1268 -3.1268 -3.1268 -3.1268 2.4353 2.4353 2.4353 2.4353 3.5669 3.5669 3.5669 3.5669 3.8280 3.8280 3.8280 3.8280 5.9354 5.9354 5.9354 5.9354 6.6724 6.6724 6.6724 6.6724 7.7339 7.7339 k = 0.5000 0.5000 0.1666 ( 8692 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7927 -7.7927 -7.7927 -7.7927 -6.9652 -6.9652 -6.9652 -6.9652 -6.8762 -6.8762 -6.8762 -6.8762 -3.1258 -3.1258 -3.1258 -3.1258 2.4327 2.4327 2.4327 2.4327 3.5598 3.5598 3.5598 3.5598 3.8127 3.8127 3.8127 3.8127 5.9798 5.9798 5.9798 5.9798 6.6971 6.6971 6.6971 6.6971 7.7247 7.7247 k = 0.5000 0.5000 0.1833 ( 8692 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9651 -6.9651 -6.9651 -6.9651 -6.8763 -6.8763 -6.8763 -6.8763 -3.1247 -3.1247 -3.1247 -3.1247 2.4302 2.4302 2.4302 2.4302 3.5519 3.5519 3.5519 3.5519 3.7991 3.7991 3.7991 3.7991 6.0233 6.0233 6.0233 6.0233 6.7225 6.7225 6.7225 6.7225 7.7142 7.7142 k = 0.5000 0.5000 0.2000 ( 8692 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9651 -6.9651 -6.9651 -6.9651 -6.8764 -6.8764 -6.8764 -6.8764 -3.1238 -3.1238 -3.1238 -3.1238 2.4278 2.4278 2.4278 2.4278 3.5436 3.5436 3.5436 3.5436 3.7873 3.7873 3.7873 3.7873 6.0647 6.0647 6.0647 6.0647 6.7480 6.7480 6.7480 6.7480 7.7027 7.7027 k = 0.5000 0.5000 0.2166 ( 8684 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9650 -6.9650 -6.9650 -6.9650 -6.8766 -6.8766 -6.8766 -6.8766 -3.1229 -3.1229 -3.1229 -3.1229 2.4255 2.4255 2.4255 2.4255 3.5353 3.5353 3.5353 3.5353 3.7774 3.7774 3.7774 3.7774 6.1032 6.1032 6.1032 6.1032 6.7727 6.7727 6.7727 6.7727 7.6905 7.6905 k = 0.5000 0.5000 0.2333 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3202 -17.3202 -17.3202 -17.3202 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9650 -6.9650 -6.9650 -6.9650 -6.8767 -6.8767 -6.8767 -6.8767 -3.1221 -3.1221 -3.1221 -3.1221 2.4235 2.4235 2.4235 2.4235 3.5274 3.5274 3.5274 3.5274 3.7694 3.7694 3.7694 3.7694 6.1376 6.1376 6.1376 6.1376 6.7959 6.7959 6.7959 6.7959 7.6783 7.6783 k = 0.5000 0.5000 0.2500 ( 8660 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8768 -6.8768 -6.8768 -6.8768 -3.1214 -3.1214 -3.1214 -3.1214 2.4218 2.4218 2.4218 2.4218 3.5203 3.5203 3.5203 3.5203 3.7631 3.7631 3.7631 3.7631 6.1672 6.1672 6.1672 6.1672 6.8166 6.8166 6.8166 6.8166 7.6667 7.6667 k = 0.5000 0.5000 0.2666 ( 8664 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8768 -6.8768 -6.8768 -6.8768 -3.1208 -3.1208 -3.1208 -3.1208 2.4204 2.4204 2.4204 2.4204 3.5143 3.5143 3.5143 3.5143 3.7585 3.7585 3.7585 3.7585 6.1910 6.1910 6.1910 6.1910 6.8340 6.8340 6.8340 6.8340 7.6566 7.6566 k = 0.5000 0.5000 0.2833 ( 8672 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6650 -17.6650 -17.6650 -17.6650 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8769 -6.8769 -6.8769 -6.8769 -3.1204 -3.1204 -3.1204 -3.1204 2.4194 2.4194 2.4194 2.4194 3.5098 3.5098 3.5098 3.5098 3.7553 3.7553 3.7553 3.7553 6.2085 6.2085 6.2085 6.2085 6.8472 6.8472 6.8472 6.8472 7.6486 7.6486 k = 0.5000 0.5000 0.3000 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6651 -17.6651 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8769 -6.8769 -6.8769 -6.8769 -3.1202 -3.1202 -3.1202 -3.1202 2.4188 2.4188 2.4188 2.4188 3.5070 3.5070 3.5070 3.5070 3.7534 3.7534 3.7534 3.7534 6.2192 6.2192 6.2192 6.2192 6.8555 6.8555 6.8555 6.8555 7.6435 7.6435 k = 0.5000 0.5000 0.3166 ( 8704 PWs) bands (ev): -36.3779 -36.3779 -36.3779 -36.3779 -23.0621 -23.0621 -23.0621 -23.0621 -17.6651 -17.6651 -17.6651 -17.6651 -17.3203 -17.3203 -17.3203 -17.3203 -17.2367 -17.2367 -17.2367 -17.2367 -7.7928 -7.7928 -7.7928 -7.7928 -6.9649 -6.9649 -6.9649 -6.9649 -6.8769 -6.8769 -6.8769 -6.8769 -3.1201 -3.1201 -3.1201 -3.1201 2.4186 2.4186 2.4186 2.4186 3.5060 3.5060 3.5060 3.5060 3.7528 3.7528 3.7528 3.7528 6.2228 6.2228 6.2228 6.2228 6.8583 6.8583 6.8583 6.8583 7.6418 7.6418 Writing output data file RbCaSb.save init_run : 0.38s CPU 0.54s WALL ( 1 calls) electrons : 414.84s CPU 419.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 414.84s CPU 419.72s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 270 calls) cegterg : 394.50s CPU 398.70s WALL ( 833 calls) Called by sum_band: Called by *egterg: h_psi : 183.14s CPU 186.36s WALL ( 15575 calls) s_psi : 12.66s CPU 12.66s WALL ( 15575 calls) g_psi : 0.39s CPU 0.37s WALL ( 14472 calls) cdiaghg : 175.53s CPU 176.14s WALL ( 14742 calls) cegterg:over : 15.54s CPU 15.87s WALL ( 14472 calls) cegterg:upda : 12.26s CPU 12.53s WALL ( 14472 calls) cegterg:last : 5.56s CPU 5.56s WALL ( 1689 calls) cdiaghg:chol : 7.25s CPU 7.39s WALL ( 14742 calls) cdiaghg:inve : 3.92s CPU 4.09s WALL ( 14742 calls) cdiaghg:para : 9.68s CPU 9.70s WALL ( 29484 calls) Called by h_psi: h_psi:vloc : 155.36s CPU 158.34s WALL ( 15575 calls) h_psi:vnl : 27.51s CPU 27.67s WALL ( 15575 calls) add_vuspsi : 14.81s CPU 14.64s WALL ( 15575 calls) General routines calbec : 12.64s CPU 12.98s WALL ( 15575 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 148.94s CPU 151.82s WALL ( 1187356 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.20s WALL ( 540 calls) Parallel routines fft_scatter : 103.70s CPU 106.03s WALL ( 1187379 calls) PWSCF : 7m28.22s CPU 7m47.26s WALL This run was terminated on: 5:57:35 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=