Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./ZrSiO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 31 19 5 1807 871 139 Max 32 20 6 1816 885 152 Sum 1137 697 213 65189 31667 5249 bravais-lattice index = 14 lattice parameter (alat) = 6.6518 a.u. unit-cell volume = 663.0633 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.651835 celldm(2)= 1.000000 celldm(3)= 2.252841 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 2.252841 ) 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 0.443884 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Zr 4.00 91.22400 Zr( 1.00) O 6.00 15.99940 O( 1.00) Si 4.00 28.08550 Si( 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= 377 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0026525 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0026525 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026525 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0026525 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0026525 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0026525 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0026525 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0026525 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0026525 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0026525 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0026525 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0026525 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0026525 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0026525 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0026525 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0026525 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026525 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0026525 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0026525 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0026525 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0026525 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0026525 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0026525 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0026525 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0026525 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026525 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026525 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026525 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026525 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026525 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026525 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0026525 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0026525 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0026525 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026525 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026525 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026525 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0026525 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0026525 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0026525 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0026525 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0026525 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0026525 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0026525 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0026525 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0026525 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0026525 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0026525 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0026525 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0026525 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0026525 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0026525 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0026525 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026525 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0026525 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0026525 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0026525 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0026525 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0026525 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0026525 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0026525 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0026525 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0026525 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0026525 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0026525 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0026525 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0026525 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0026525 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0026525 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026525 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0026525 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0026525 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0026525 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0026525 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0026525 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0026525 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0026525 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0026525 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0026525 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0026525 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0026525 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0026525 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0026525 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0026525 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0026525 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026525 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0026525 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0026525 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0026525 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0026525 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0026525 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0026525 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0026525 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0026525 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0026525 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0026525 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0026525 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0026525 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0026525 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0026525 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.0110971), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.0221942), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.0332913), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.0443884), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.0554855), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.0665826), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.0776797), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.0887768), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.0998739), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.1109710), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.1220681), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.1331652), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.1442623), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.1553594), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.1664565), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.1775536), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.1886507), wk = 0.0026525 k( 176) = ( 0.0000000 0.0000000 0.1997478), wk = 0.0026525 k( 177) = ( 0.0000000 0.0000000 0.2108449), wk = 0.0026525 k( 178) = ( 0.0000000 0.0000000 0.2219420), wk = 0.0026525 k( 179) = ( 0.0000000 0.0000000 0.2219420), wk = 0.0026525 k( 180) = ( 0.0000000 0.0111111 0.2219420), wk = 0.0026525 k( 181) = ( 0.0000000 0.0222222 0.2219420), wk = 0.0026525 k( 182) = ( 0.0000000 0.0333333 0.2219420), wk = 0.0026525 k( 183) = ( 0.0000000 0.0444444 0.2219420), wk = 0.0026525 k( 184) = ( 0.0000000 0.0555556 0.2219420), wk = 0.0026525 k( 185) = ( 0.0000000 0.0666667 0.2219420), wk = 0.0026525 k( 186) = ( 0.0000000 0.0777778 0.2219420), wk = 0.0026525 k( 187) = ( 0.0000000 0.0888889 0.2219420), wk = 0.0026525 k( 188) = ( 0.0000000 0.1000000 0.2219420), wk = 0.0026525 k( 189) = ( 0.0000000 0.1111111 0.2219420), wk = 0.0026525 k( 190) = ( 0.0000000 0.1222222 0.2219420), wk = 0.0026525 k( 191) = ( 0.0000000 0.1333333 0.2219420), wk = 0.0026525 k( 192) = ( 0.0000000 0.1444444 0.2219420), wk = 0.0026525 k( 193) = ( 0.0000000 0.1555556 0.2219420), wk = 0.0026525 k( 194) = ( 0.0000000 0.1666667 0.2219420), wk = 0.0026525 k( 195) = ( 0.0000000 0.1777778 0.2219420), wk = 0.0026525 k( 196) = ( 0.0000000 0.1888889 0.2219420), wk = 0.0026525 k( 197) = ( 0.0000000 0.2000000 0.2219420), wk = 0.0026525 k( 198) = ( 0.0000000 0.2111111 0.2219420), wk = 0.0026525 k( 199) = ( 0.0000000 0.2222222 0.2219420), wk = 0.0026525 k( 200) = ( 0.0000000 0.2333333 0.2219420), wk = 0.0026525 k( 201) = ( 0.0000000 0.2444444 0.2219420), wk = 0.0026525 k( 202) = ( 0.0000000 0.2555556 0.2219420), wk = 0.0026525 k( 203) = ( 0.0000000 0.2666667 0.2219420), wk = 0.0026525 k( 204) = ( 0.0000000 0.2777778 0.2219420), wk = 0.0026525 k( 205) = ( 0.0000000 0.2888889 0.2219420), wk = 0.0026525 k( 206) = ( 0.0000000 0.3000000 0.2219420), wk = 0.0026525 k( 207) = ( 0.0000000 0.3111111 0.2219420), wk = 0.0026525 k( 208) = ( 0.0000000 0.3222222 0.2219420), wk = 0.0026525 k( 209) = ( 0.0000000 0.3333333 0.2219420), wk = 0.0026525 k( 210) = ( 0.0000000 0.3444444 0.2219420), wk = 0.0026525 k( 211) = ( 0.0000000 0.3555556 0.2219420), wk = 0.0026525 k( 212) = ( 0.0000000 0.3666667 0.2219420), wk = 0.0026525 k( 213) = ( 0.0000000 0.3777778 0.2219420), wk = 0.0026525 k( 214) = ( 0.0000000 0.3888889 0.2219420), wk = 0.0026525 k( 215) = ( 0.0000000 0.4000000 0.2219420), wk = 0.0026525 k( 216) = ( 0.0000000 0.4111111 0.2219420), wk = 0.0026525 k( 217) = ( 0.0000000 0.4222222 0.2219420), wk = 0.0026525 k( 218) = ( 0.0000000 0.4333333 0.2219420), wk = 0.0026525 k( 219) = ( 0.0000000 0.4444444 0.2219420), wk = 0.0026525 k( 220) = ( 0.0000000 0.4555556 0.2219420), wk = 0.0026525 k( 221) = ( 0.0000000 0.4666667 0.2219420), wk = 0.0026525 k( 222) = ( 0.0000000 0.4777778 0.2219420), wk = 0.0026525 k( 223) = ( 0.0000000 0.4888889 0.2219420), wk = 0.0026525 k( 224) = ( 0.0000000 0.5000000 0.2219420), wk = 0.0026525 k( 225) = ( 0.0000000 0.5000000 0.2219420), wk = 0.0026525 k( 226) = ( 0.0111111 0.5000000 0.2219420), wk = 0.0026525 k( 227) = ( 0.0222222 0.5000000 0.2219420), wk = 0.0026525 k( 228) = ( 0.0333333 0.5000000 0.2219420), wk = 0.0026525 k( 229) = ( 0.0444444 0.5000000 0.2219420), wk = 0.0026525 k( 230) = ( 0.0555556 0.5000000 0.2219420), wk = 0.0026525 k( 231) = ( 0.0666667 0.5000000 0.2219420), wk = 0.0026525 k( 232) = ( 0.0777778 0.5000000 0.2219420), wk = 0.0026525 k( 233) = ( 0.0888889 0.5000000 0.2219420), wk = 0.0026525 k( 234) = ( 0.1000000 0.5000000 0.2219420), wk = 0.0026525 k( 235) = ( 0.1111111 0.5000000 0.2219420), wk = 0.0026525 k( 236) = ( 0.1222222 0.5000000 0.2219420), wk = 0.0026525 k( 237) = ( 0.1333333 0.5000000 0.2219420), wk = 0.0026525 k( 238) = ( 0.1444444 0.5000000 0.2219420), wk = 0.0026525 k( 239) = ( 0.1555556 0.5000000 0.2219420), wk = 0.0026525 k( 240) = ( 0.1666667 0.5000000 0.2219420), wk = 0.0026525 k( 241) = ( 0.1777778 0.5000000 0.2219420), wk = 0.0026525 k( 242) = ( 0.1888889 0.5000000 0.2219420), wk = 0.0026525 k( 243) = ( 0.2000000 0.5000000 0.2219420), wk = 0.0026525 k( 244) = ( 0.2111111 0.5000000 0.2219420), wk = 0.0026525 k( 245) = ( 0.2222222 0.5000000 0.2219420), wk = 0.0026525 k( 246) = ( 0.2333333 0.5000000 0.2219420), wk = 0.0026525 k( 247) = ( 0.2444444 0.5000000 0.2219420), wk = 0.0026525 k( 248) = ( 0.2555556 0.5000000 0.2219420), wk = 0.0026525 k( 249) = ( 0.2666667 0.5000000 0.2219420), wk = 0.0026525 k( 250) = ( 0.2777778 0.5000000 0.2219420), wk = 0.0026525 k( 251) = ( 0.2888889 0.5000000 0.2219420), wk = 0.0026525 k( 252) = ( 0.3000000 0.5000000 0.2219420), wk = 0.0026525 k( 253) = ( 0.3111111 0.5000000 0.2219420), wk = 0.0026525 k( 254) = ( 0.3222222 0.5000000 0.2219420), wk = 0.0026525 k( 255) = ( 0.3333333 0.5000000 0.2219420), wk = 0.0026525 k( 256) = ( 0.3444444 0.5000000 0.2219420), wk = 0.0026525 k( 257) = ( 0.3555556 0.5000000 0.2219420), wk = 0.0026525 k( 258) = ( 0.3666667 0.5000000 0.2219420), wk = 0.0026525 k( 259) = ( 0.3777778 0.5000000 0.2219420), wk = 0.0026525 k( 260) = ( 0.3888889 0.5000000 0.2219420), wk = 0.0026525 k( 261) = ( 0.4000000 0.5000000 0.2219420), wk = 0.0026525 k( 262) = ( 0.4111111 0.5000000 0.2219420), wk = 0.0026525 k( 263) = ( 0.4222222 0.5000000 0.2219420), wk = 0.0026525 k( 264) = ( 0.4333333 0.5000000 0.2219420), wk = 0.0026525 k( 265) = ( 0.4444444 0.5000000 0.2219420), wk = 0.0026525 k( 266) = ( 0.4555556 0.5000000 0.2219420), wk = 0.0026525 k( 267) = ( 0.4666667 0.5000000 0.2219420), wk = 0.0026525 k( 268) = ( 0.4777778 0.5000000 0.2219420), wk = 0.0026525 k( 269) = ( 0.4888889 0.5000000 0.2219420), wk = 0.0026525 k( 270) = ( 0.5000000 0.5000000 0.2219420), wk = 0.0026525 k( 271) = ( 0.5000000 0.5000000 0.2219420), wk = 0.0026525 k( 272) = ( 0.4921875 0.4921875 0.2219420), wk = 0.0026525 k( 273) = ( 0.4843750 0.4843750 0.2219420), wk = 0.0026525 k( 274) = ( 0.4765625 0.4765625 0.2219420), wk = 0.0026525 k( 275) = ( 0.4687500 0.4687500 0.2219420), wk = 0.0026525 k( 276) = ( 0.4609375 0.4609375 0.2219420), wk = 0.0026525 k( 277) = ( 0.4531250 0.4531250 0.2219420), wk = 0.0026525 k( 278) = ( 0.4453125 0.4453125 0.2219420), wk = 0.0026525 k( 279) = ( 0.4375000 0.4375000 0.2219420), wk = 0.0026525 k( 280) = ( 0.4296875 0.4296875 0.2219420), wk = 0.0026525 k( 281) = ( 0.4218750 0.4218750 0.2219420), wk = 0.0026525 k( 282) = ( 0.4140625 0.4140625 0.2219420), wk = 0.0026525 k( 283) = ( 0.4062500 0.4062500 0.2219420), wk = 0.0026525 k( 284) = ( 0.3984375 0.3984375 0.2219420), wk = 0.0026525 k( 285) = ( 0.3906250 0.3906250 0.2219420), wk = 0.0026525 k( 286) = ( 0.3828125 0.3828125 0.2219420), wk = 0.0026525 k( 287) = ( 0.3750000 0.3750000 0.2219420), wk = 0.0026525 k( 288) = ( 0.3671875 0.3671875 0.2219420), wk = 0.0026525 k( 289) = ( 0.3593750 0.3593750 0.2219420), wk = 0.0026525 k( 290) = ( 0.3515625 0.3515625 0.2219420), wk = 0.0026525 k( 291) = ( 0.3437500 0.3437500 0.2219420), wk = 0.0026525 k( 292) = ( 0.3359375 0.3359375 0.2219420), wk = 0.0026525 k( 293) = ( 0.3281250 0.3281250 0.2219420), wk = 0.0026525 k( 294) = ( 0.3203125 0.3203125 0.2219420), wk = 0.0026525 k( 295) = ( 0.3125000 0.3125000 0.2219420), wk = 0.0026525 k( 296) = ( 0.3046875 0.3046875 0.2219420), wk = 0.0026525 k( 297) = ( 0.2968750 0.2968750 0.2219420), wk = 0.0026525 k( 298) = ( 0.2890625 0.2890625 0.2219420), wk = 0.0026525 k( 299) = ( 0.2812500 0.2812500 0.2219420), wk = 0.0026525 k( 300) = ( 0.2734375 0.2734375 0.2219420), wk = 0.0026525 k( 301) = ( 0.2656250 0.2656250 0.2219420), wk = 0.0026525 k( 302) = ( 0.2578125 0.2578125 0.2219420), wk = 0.0026525 k( 303) = ( 0.2500000 0.2500000 0.2219420), wk = 0.0026525 k( 304) = ( 0.2421875 0.2421875 0.2219420), wk = 0.0026525 k( 305) = ( 0.2343750 0.2343750 0.2219420), wk = 0.0026525 k( 306) = ( 0.2265625 0.2265625 0.2219420), wk = 0.0026525 k( 307) = ( 0.2187500 0.2187500 0.2219420), wk = 0.0026525 k( 308) = ( 0.2109375 0.2109375 0.2219420), wk = 0.0026525 k( 309) = ( 0.2031250 0.2031250 0.2219420), wk = 0.0026525 k( 310) = ( 0.1953125 0.1953125 0.2219420), wk = 0.0026525 k( 311) = ( 0.1875000 0.1875000 0.2219420), wk = 0.0026525 k( 312) = ( 0.1796875 0.1796875 0.2219420), wk = 0.0026525 k( 313) = ( 0.1718750 0.1718750 0.2219420), wk = 0.0026525 k( 314) = ( 0.1640625 0.1640625 0.2219420), wk = 0.0026525 k( 315) = ( 0.1562500 0.1562500 0.2219420), wk = 0.0026525 k( 316) = ( 0.1484375 0.1484375 0.2219420), wk = 0.0026525 k( 317) = ( 0.1406250 0.1406250 0.2219420), wk = 0.0026525 k( 318) = ( 0.1328125 0.1328125 0.2219420), wk = 0.0026525 k( 319) = ( 0.1250000 0.1250000 0.2219420), wk = 0.0026525 k( 320) = ( 0.1171875 0.1171875 0.2219420), wk = 0.0026525 k( 321) = ( 0.1093750 0.1093750 0.2219420), wk = 0.0026525 k( 322) = ( 0.1015625 0.1015625 0.2219420), wk = 0.0026525 k( 323) = ( 0.0937500 0.0937500 0.2219420), wk = 0.0026525 k( 324) = ( 0.0859375 0.0859375 0.2219420), wk = 0.0026525 k( 325) = ( 0.0781250 0.0781250 0.2219420), wk = 0.0026525 k( 326) = ( 0.0703125 0.0703125 0.2219420), wk = 0.0026525 k( 327) = ( 0.0625000 0.0625000 0.2219420), wk = 0.0026525 k( 328) = ( 0.0546875 0.0546875 0.2219420), wk = 0.0026525 k( 329) = ( 0.0468750 0.0468750 0.2219420), wk = 0.0026525 k( 330) = ( 0.0390625 0.0390625 0.2219420), wk = 0.0026525 k( 331) = ( 0.0312500 0.0312500 0.2219420), wk = 0.0026525 k( 332) = ( 0.0234375 0.0234375 0.2219420), wk = 0.0026525 k( 333) = ( 0.0156250 0.0156250 0.2219420), wk = 0.0026525 k( 334) = ( 0.0078125 0.0078125 0.2219420), wk = 0.0026525 k( 335) = ( 0.0000000 0.0000000 0.2219420), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.0110971), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.0221942), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.0332913), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.0443884), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.0554855), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.0665826), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.0776797), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.0887768), wk = 0.0026525 k( 345) = ( 0.0000000 0.5000000 0.0998739), wk = 0.0026525 k( 346) = ( 0.0000000 0.5000000 0.1109710), wk = 0.0026525 k( 347) = ( 0.0000000 0.5000000 0.1220681), wk = 0.0026525 k( 348) = ( 0.0000000 0.5000000 0.1331652), wk = 0.0026525 k( 349) = ( 0.0000000 0.5000000 0.1442623), wk = 0.0026525 k( 350) = ( 0.0000000 0.5000000 0.1553594), wk = 0.0026525 k( 351) = ( 0.0000000 0.5000000 0.1664565), wk = 0.0026525 k( 352) = ( 0.0000000 0.5000000 0.1775536), wk = 0.0026525 k( 353) = ( 0.0000000 0.5000000 0.1886507), wk = 0.0026525 k( 354) = ( 0.0000000 0.5000000 0.1997478), wk = 0.0026525 k( 355) = ( 0.0000000 0.5000000 0.2108449), wk = 0.0026525 k( 356) = ( 0.0000000 0.5000000 0.2219420), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.0110971), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.0221942), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.0332913), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.0443884), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.0554855), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.0665826), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.0776797), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.0887768), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.0998739), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.1109710), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.1220681), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.1331652), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.1442623), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.1553594), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.1664565), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.1775536), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.1886507), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.1997478), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.2108449), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.2219420), wk = 0.0026525 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0026525 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0026525 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0026525 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0026525 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0026525 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0026525 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0026525 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0026525 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0026525 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0026525 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0026525 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0026525 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0026525 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0026525 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026525 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0026525 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0026525 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0026525 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0026525 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0026525 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0026525 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0026525 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0026525 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0026525 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0026525 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0026525 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0026525 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0026525 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0026525 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026525 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0026525 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0026525 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0026525 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0026525 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0026525 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0026525 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0026525 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0026525 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0026525 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0026525 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0026525 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0026525 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0026525 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0026525 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0026525 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0026525 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0026525 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0026525 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0026525 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0026525 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0026525 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0026525 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0026525 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0026525 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0026525 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0026525 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0026525 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0026525 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026525 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0026525 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0026525 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0026525 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0026525 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0026525 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0026525 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0026525 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0026525 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0026525 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0026525 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0026525 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0026525 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0026525 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0026525 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026525 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0026525 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0026525 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0026525 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0026525 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0026525 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0026525 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0026525 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0026525 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0026525 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0026525 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0026525 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0026525 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0026525 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0026525 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 94) = ( 0.4921875 0.4921875 -0.0000000), wk = 0.0026525 k( 95) = ( 0.4843750 0.4843750 -0.0000000), wk = 0.0026525 k( 96) = ( 0.4765625 0.4765625 -0.0000000), wk = 0.0026525 k( 97) = ( 0.4687500 0.4687500 -0.0000000), wk = 0.0026525 k( 98) = ( 0.4609375 0.4609375 -0.0000000), wk = 0.0026525 k( 99) = ( 0.4531250 0.4531250 -0.0000000), wk = 0.0026525 k( 100) = ( 0.4453125 0.4453125 -0.0000000), wk = 0.0026525 k( 101) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0026525 k( 102) = ( 0.4296875 0.4296875 -0.0000000), wk = 0.0026525 k( 103) = ( 0.4218750 0.4218750 -0.0000000), wk = 0.0026525 k( 104) = ( 0.4140625 0.4140625 -0.0000000), wk = 0.0026525 k( 105) = ( 0.4062500 0.4062500 -0.0000000), wk = 0.0026525 k( 106) = ( 0.3984375 0.3984375 -0.0000000), wk = 0.0026525 k( 107) = ( 0.3906250 0.3906250 -0.0000000), wk = 0.0026525 k( 108) = ( 0.3828125 0.3828125 -0.0000000), wk = 0.0026525 k( 109) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026525 k( 110) = ( 0.3671875 0.3671875 -0.0000000), wk = 0.0026525 k( 111) = ( 0.3593750 0.3593750 -0.0000000), wk = 0.0026525 k( 112) = ( 0.3515625 0.3515625 -0.0000000), wk = 0.0026525 k( 113) = ( 0.3437500 0.3437500 -0.0000000), wk = 0.0026525 k( 114) = ( 0.3359375 0.3359375 -0.0000000), wk = 0.0026525 k( 115) = ( 0.3281250 0.3281250 -0.0000000), wk = 0.0026525 k( 116) = ( 0.3203125 0.3203125 -0.0000000), wk = 0.0026525 k( 117) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0026525 k( 118) = ( 0.3046875 0.3046875 -0.0000000), wk = 0.0026525 k( 119) = ( 0.2968750 0.2968750 -0.0000000), wk = 0.0026525 k( 120) = ( 0.2890625 0.2890625 -0.0000000), wk = 0.0026525 k( 121) = ( 0.2812500 0.2812500 -0.0000000), wk = 0.0026525 k( 122) = ( 0.2734375 0.2734375 -0.0000000), wk = 0.0026525 k( 123) = ( 0.2656250 0.2656250 -0.0000000), wk = 0.0026525 k( 124) = ( 0.2578125 0.2578125 -0.0000000), wk = 0.0026525 k( 125) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026525 k( 126) = ( 0.2421875 0.2421875 -0.0000000), wk = 0.0026525 k( 127) = ( 0.2343750 0.2343750 -0.0000000), wk = 0.0026525 k( 128) = ( 0.2265625 0.2265625 -0.0000000), wk = 0.0026525 k( 129) = ( 0.2187500 0.2187500 -0.0000000), wk = 0.0026525 k( 130) = ( 0.2109375 0.2109375 -0.0000000), wk = 0.0026525 k( 131) = ( 0.2031250 0.2031250 -0.0000000), wk = 0.0026525 k( 132) = ( 0.1953125 0.1953125 -0.0000000), wk = 0.0026525 k( 133) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0026525 k( 134) = ( 0.1796875 0.1796875 -0.0000000), wk = 0.0026525 k( 135) = ( 0.1718750 0.1718750 -0.0000000), wk = 0.0026525 k( 136) = ( 0.1640625 0.1640625 -0.0000000), wk = 0.0026525 k( 137) = ( 0.1562500 0.1562500 -0.0000000), wk = 0.0026525 k( 138) = ( 0.1484375 0.1484375 -0.0000000), wk = 0.0026525 k( 139) = ( 0.1406250 0.1406250 -0.0000000), wk = 0.0026525 k( 140) = ( 0.1328125 0.1328125 -0.0000000), wk = 0.0026525 k( 141) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026525 k( 142) = ( 0.1171875 0.1171875 -0.0000000), wk = 0.0026525 k( 143) = ( 0.1093750 0.1093750 -0.0000000), wk = 0.0026525 k( 144) = ( 0.1015625 0.1015625 -0.0000000), wk = 0.0026525 k( 145) = ( 0.0937500 0.0937500 -0.0000000), wk = 0.0026525 k( 146) = ( 0.0859375 0.0859375 -0.0000000), wk = 0.0026525 k( 147) = ( 0.0781250 0.0781250 -0.0000000), wk = 0.0026525 k( 148) = ( 0.0703125 0.0703125 -0.0000000), wk = 0.0026525 k( 149) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0026525 k( 150) = ( 0.0546875 0.0546875 -0.0000000), wk = 0.0026525 k( 151) = ( 0.0468750 0.0468750 -0.0000000), wk = 0.0026525 k( 152) = ( 0.0390625 0.0390625 -0.0000000), wk = 0.0026525 k( 153) = ( 0.0312500 0.0312500 -0.0000000), wk = 0.0026525 k( 154) = ( 0.0234375 0.0234375 -0.0000000), wk = 0.0026525 k( 155) = ( 0.0156250 0.0156250 -0.0000000), wk = 0.0026525 k( 156) = ( 0.0078125 0.0078125 -0.0000000), wk = 0.0026525 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026525 k( 159) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0026525 k( 160) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0026525 k( 161) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0026525 k( 162) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0026525 k( 163) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0026525 k( 164) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0026525 k( 165) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0026525 k( 166) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0026525 k( 167) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0026525 k( 168) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026525 k( 169) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0026525 k( 170) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0026525 k( 171) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0026525 k( 172) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0026525 k( 173) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0026525 k( 174) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0026525 k( 175) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0026525 k( 176) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0026525 k( 177) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0026525 k( 178) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 179) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 180) = ( 0.0000000 0.0111111 0.5000000), wk = 0.0026525 k( 181) = ( 0.0000000 0.0222222 0.5000000), wk = 0.0026525 k( 182) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0026525 k( 183) = ( 0.0000000 0.0444444 0.5000000), wk = 0.0026525 k( 184) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0026525 k( 185) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0026525 k( 186) = ( 0.0000000 0.0777778 0.5000000), wk = 0.0026525 k( 187) = ( 0.0000000 0.0888889 0.5000000), wk = 0.0026525 k( 188) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0026525 k( 189) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0026525 k( 190) = ( 0.0000000 0.1222222 0.5000000), wk = 0.0026525 k( 191) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0026525 k( 192) = ( 0.0000000 0.1444444 0.5000000), wk = 0.0026525 k( 193) = ( 0.0000000 0.1555556 0.5000000), wk = 0.0026525 k( 194) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026525 k( 195) = ( 0.0000000 0.1777778 0.5000000), wk = 0.0026525 k( 196) = ( 0.0000000 0.1888889 0.5000000), wk = 0.0026525 k( 197) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0026525 k( 198) = ( 0.0000000 0.2111111 0.5000000), wk = 0.0026525 k( 199) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0026525 k( 200) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0026525 k( 201) = ( 0.0000000 0.2444444 0.5000000), wk = 0.0026525 k( 202) = ( 0.0000000 0.2555556 0.5000000), wk = 0.0026525 k( 203) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0026525 k( 204) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0026525 k( 205) = ( 0.0000000 0.2888889 0.5000000), wk = 0.0026525 k( 206) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0026525 k( 207) = ( 0.0000000 0.3111111 0.5000000), wk = 0.0026525 k( 208) = ( 0.0000000 0.3222222 0.5000000), wk = 0.0026525 k( 209) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026525 k( 210) = ( 0.0000000 0.3444444 0.5000000), wk = 0.0026525 k( 211) = ( 0.0000000 0.3555556 0.5000000), wk = 0.0026525 k( 212) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0026525 k( 213) = ( 0.0000000 0.3777778 0.5000000), wk = 0.0026525 k( 214) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0026525 k( 215) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0026525 k( 216) = ( 0.0000000 0.4111111 0.5000000), wk = 0.0026525 k( 217) = ( 0.0000000 0.4222222 0.5000000), wk = 0.0026525 k( 218) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0026525 k( 219) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0026525 k( 220) = ( 0.0000000 0.4555556 0.5000000), wk = 0.0026525 k( 221) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0026525 k( 222) = ( 0.0000000 0.4777778 0.5000000), wk = 0.0026525 k( 223) = ( 0.0000000 0.4888889 0.5000000), wk = 0.0026525 k( 224) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 225) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 226) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0026525 k( 227) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0026525 k( 228) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0026525 k( 229) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0026525 k( 230) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0026525 k( 231) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0026525 k( 232) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0026525 k( 233) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0026525 k( 234) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0026525 k( 235) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0026525 k( 236) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0026525 k( 237) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0026525 k( 238) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0026525 k( 239) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0026525 k( 240) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026525 k( 241) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0026525 k( 242) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0026525 k( 243) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0026525 k( 244) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0026525 k( 245) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0026525 k( 246) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0026525 k( 247) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0026525 k( 248) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0026525 k( 249) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0026525 k( 250) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0026525 k( 251) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0026525 k( 252) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0026525 k( 253) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0026525 k( 254) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0026525 k( 255) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026525 k( 256) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0026525 k( 257) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0026525 k( 258) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0026525 k( 259) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0026525 k( 260) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0026525 k( 261) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0026525 k( 262) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0026525 k( 263) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0026525 k( 264) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0026525 k( 265) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0026525 k( 266) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0026525 k( 267) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0026525 k( 268) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0026525 k( 269) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0026525 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 k( 272) = ( 0.4921875 0.4921875 0.5000000), wk = 0.0026525 k( 273) = ( 0.4843750 0.4843750 0.5000000), wk = 0.0026525 k( 274) = ( 0.4765625 0.4765625 0.5000000), wk = 0.0026525 k( 275) = ( 0.4687500 0.4687500 0.5000000), wk = 0.0026525 k( 276) = ( 0.4609375 0.4609375 0.5000000), wk = 0.0026525 k( 277) = ( 0.4531250 0.4531250 0.5000000), wk = 0.0026525 k( 278) = ( 0.4453125 0.4453125 0.5000000), wk = 0.0026525 k( 279) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0026525 k( 280) = ( 0.4296875 0.4296875 0.5000000), wk = 0.0026525 k( 281) = ( 0.4218750 0.4218750 0.5000000), wk = 0.0026525 k( 282) = ( 0.4140625 0.4140625 0.5000000), wk = 0.0026525 k( 283) = ( 0.4062500 0.4062500 0.5000000), wk = 0.0026525 k( 284) = ( 0.3984375 0.3984375 0.5000000), wk = 0.0026525 k( 285) = ( 0.3906250 0.3906250 0.5000000), wk = 0.0026525 k( 286) = ( 0.3828125 0.3828125 0.5000000), wk = 0.0026525 k( 287) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0026525 k( 288) = ( 0.3671875 0.3671875 0.5000000), wk = 0.0026525 k( 289) = ( 0.3593750 0.3593750 0.5000000), wk = 0.0026525 k( 290) = ( 0.3515625 0.3515625 0.5000000), wk = 0.0026525 k( 291) = ( 0.3437500 0.3437500 0.5000000), wk = 0.0026525 k( 292) = ( 0.3359375 0.3359375 0.5000000), wk = 0.0026525 k( 293) = ( 0.3281250 0.3281250 0.5000000), wk = 0.0026525 k( 294) = ( 0.3203125 0.3203125 0.5000000), wk = 0.0026525 k( 295) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0026525 k( 296) = ( 0.3046875 0.3046875 0.5000000), wk = 0.0026525 k( 297) = ( 0.2968750 0.2968750 0.5000000), wk = 0.0026525 k( 298) = ( 0.2890625 0.2890625 0.5000000), wk = 0.0026525 k( 299) = ( 0.2812500 0.2812500 0.5000000), wk = 0.0026525 k( 300) = ( 0.2734375 0.2734375 0.5000000), wk = 0.0026525 k( 301) = ( 0.2656250 0.2656250 0.5000000), wk = 0.0026525 k( 302) = ( 0.2578125 0.2578125 0.5000000), wk = 0.0026525 k( 303) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026525 k( 304) = ( 0.2421875 0.2421875 0.5000000), wk = 0.0026525 k( 305) = ( 0.2343750 0.2343750 0.5000000), wk = 0.0026525 k( 306) = ( 0.2265625 0.2265625 0.5000000), wk = 0.0026525 k( 307) = ( 0.2187500 0.2187500 0.5000000), wk = 0.0026525 k( 308) = ( 0.2109375 0.2109375 0.5000000), wk = 0.0026525 k( 309) = ( 0.2031250 0.2031250 0.5000000), wk = 0.0026525 k( 310) = ( 0.1953125 0.1953125 0.5000000), wk = 0.0026525 k( 311) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0026525 k( 312) = ( 0.1796875 0.1796875 0.5000000), wk = 0.0026525 k( 313) = ( 0.1718750 0.1718750 0.5000000), wk = 0.0026525 k( 314) = ( 0.1640625 0.1640625 0.5000000), wk = 0.0026525 k( 315) = ( 0.1562500 0.1562500 0.5000000), wk = 0.0026525 k( 316) = ( 0.1484375 0.1484375 0.5000000), wk = 0.0026525 k( 317) = ( 0.1406250 0.1406250 0.5000000), wk = 0.0026525 k( 318) = ( 0.1328125 0.1328125 0.5000000), wk = 0.0026525 k( 319) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0026525 k( 320) = ( 0.1171875 0.1171875 0.5000000), wk = 0.0026525 k( 321) = ( 0.1093750 0.1093750 0.5000000), wk = 0.0026525 k( 322) = ( 0.1015625 0.1015625 0.5000000), wk = 0.0026525 k( 323) = ( 0.0937500 0.0937500 0.5000000), wk = 0.0026525 k( 324) = ( 0.0859375 0.0859375 0.5000000), wk = 0.0026525 k( 325) = ( 0.0781250 0.0781250 0.5000000), wk = 0.0026525 k( 326) = ( 0.0703125 0.0703125 0.5000000), wk = 0.0026525 k( 327) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0026525 k( 328) = ( 0.0546875 0.0546875 0.5000000), wk = 0.0026525 k( 329) = ( 0.0468750 0.0468750 0.5000000), wk = 0.0026525 k( 330) = ( 0.0390625 0.0390625 0.5000000), wk = 0.0026525 k( 331) = ( 0.0312500 0.0312500 0.5000000), wk = 0.0026525 k( 332) = ( 0.0234375 0.0234375 0.5000000), wk = 0.0026525 k( 333) = ( 0.0156250 0.0156250 0.5000000), wk = 0.0026525 k( 334) = ( 0.0078125 0.0078125 0.5000000), wk = 0.0026525 k( 335) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026525 k( 336) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026525 k( 337) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0026525 k( 338) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0026525 k( 339) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0026525 k( 340) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0026525 k( 341) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0026525 k( 342) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0026525 k( 343) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0026525 k( 344) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0026525 k( 345) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0026525 k( 346) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026525 k( 347) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0026525 k( 348) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0026525 k( 349) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0026525 k( 350) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0026525 k( 351) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0026525 k( 352) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0026525 k( 353) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0026525 k( 354) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0026525 k( 355) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0026525 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026525 k( 357) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026525 k( 358) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0026525 k( 359) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0026525 k( 360) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0026525 k( 361) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0026525 k( 362) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0026525 k( 363) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0026525 k( 364) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0026525 k( 365) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0026525 k( 366) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0026525 k( 367) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026525 k( 368) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0026525 k( 369) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0026525 k( 370) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0026525 k( 371) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0026525 k( 372) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0026525 k( 373) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0026525 k( 374) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0026525 k( 375) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0026525 k( 376) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0026525 k( 377) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026525 Dense grid: 65189 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 31667 G-vectors FFT dimensions: ( 30, 30, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 232, 36) NL pseudopotentials 0.23 Mb ( 116, 128) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1811) G-vector shells 0.01 Mb ( 883) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.51 Mb ( 232, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.14 Mb ( 128, 2, 36) The potential is recalculated from file : ./ZrSiO.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.3 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 7.9 secs Computing kpt #: 20 total cpu time spent up to now is 8.2 secs Computing kpt #: 21 total cpu time spent up to now is 8.5 secs Computing kpt #: 22 total cpu time spent up to now is 8.8 secs Computing kpt #: 23 total cpu time spent up to now is 9.2 secs Computing kpt #: 24 total cpu time spent up to now is 9.5 secs Computing kpt #: 25 total cpu time spent up to now is 9.9 secs Computing kpt #: 26 total cpu time spent up to now is 10.2 secs Computing kpt #: 27 total cpu time spent up to now is 10.6 secs Computing kpt #: 28 total cpu time spent up to now is 11.2 secs Computing kpt #: 29 total cpu time spent up to now is 11.9 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 12.9 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 14.2 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.4 secs Computing kpt #: 35 total cpu time spent up to now is 16.0 secs Computing kpt #: 36 total cpu time spent up to now is 16.6 secs Computing kpt #: 37 total cpu time spent up to now is 17.1 secs Computing kpt #: 38 total cpu time spent up to now is 17.6 secs Computing kpt #: 39 total cpu time spent up to now is 18.1 secs Computing kpt #: 40 total cpu time spent up to now is 18.6 secs Computing kpt #: 41 total cpu time spent up to now is 19.1 secs Computing kpt #: 42 total cpu time spent up to now is 19.7 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 20.7 secs Computing kpt #: 44 total cpu time spent up to now is 21.5 secs Computing kpt #: 45 total cpu time spent up to now is 22.1 secs Computing kpt #: 46 total cpu time spent up to now is 22.8 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 24.0 secs Computing kpt #: 49 total cpu time spent up to now is 24.5 secs Computing kpt #: 50 total cpu time spent up to now is 25.0 secs Computing kpt #: 51 total cpu time spent up to now is 25.5 secs Computing kpt #: 52 total cpu time spent up to now is 26.0 secs Computing kpt #: 53 total cpu time spent up to now is 26.4 secs Computing kpt #: 54 total cpu time spent up to now is 26.8 secs Computing kpt #: 55 total cpu time spent up to now is 27.2 secs Computing kpt #: 56 total cpu time spent up to now is 27.6 secs Computing kpt #: 57 total cpu time spent up to now is 27.9 secs Computing kpt #: 58 total cpu time spent up to now is 28.3 secs Computing kpt #: 59 total cpu time spent up to now is 28.7 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.4 secs Computing kpt #: 62 total cpu time spent up to now is 29.7 secs Computing kpt #: 63 total cpu time spent up to now is 30.1 secs Computing kpt #: 64 total cpu time spent up to now is 30.5 secs Computing kpt #: 65 total cpu time spent up to now is 30.9 secs Computing kpt #: 66 total cpu time spent up to now is 31.2 secs Computing kpt #: 67 total cpu time spent up to now is 31.6 secs Computing kpt #: 68 total cpu time spent up to now is 32.0 secs Computing kpt #: 69 total cpu time spent up to now is 32.3 secs Computing kpt #: 70 total cpu time spent up to now is 32.7 secs Computing kpt #: 71 total cpu time spent up to now is 33.1 secs Computing kpt #: 72 total cpu time spent up to now is 33.4 secs Computing kpt #: 73 total cpu time spent up to now is 33.8 secs Computing kpt #: 74 total cpu time spent up to now is 34.2 secs Computing kpt #: 75 total cpu time spent up to now is 34.5 secs Computing kpt #: 76 total cpu time spent up to now is 35.0 secs Computing kpt #: 77 total cpu time spent up to now is 35.4 secs Computing kpt #: 78 total cpu time spent up to now is 35.8 secs Computing kpt #: 79 total cpu time spent up to now is 36.3 secs Computing kpt #: 80 total cpu time spent up to now is 36.8 secs Computing kpt #: 81 total cpu time spent up to now is 37.3 secs Computing kpt #: 82 total cpu time spent up to now is 37.7 secs Computing kpt #: 83 total cpu time spent up to now is 38.2 secs Computing kpt #: 84 total cpu time spent up to now is 38.7 secs Computing kpt #: 85 total cpu time spent up to now is 39.2 secs Computing kpt #: 86 total cpu time spent up to now is 39.7 secs Computing kpt #: 87 total cpu time spent up to now is 40.2 secs Computing kpt #: 88 total cpu time spent up to now is 40.7 secs Computing kpt #: 89 total cpu time spent up to now is 41.2 secs Computing kpt #: 90 total cpu time spent up to now is 41.7 secs Computing kpt #: 91 total cpu time spent up to now is 42.2 secs Computing kpt #: 92 total cpu time spent up to now is 42.6 secs Computing kpt #: 93 total cpu time spent up to now is 43.0 secs Computing kpt #: 94 total cpu time spent up to now is 43.4 secs Computing kpt #: 95 total cpu time spent up to now is 43.9 secs Computing kpt #: 96 total cpu time spent up to now is 44.4 secs Computing kpt #: 97 total cpu time spent up to now is 44.9 secs Computing kpt #: 98 total cpu time spent up to now is 45.4 secs Computing kpt #: 99 total cpu time spent up to now is 45.8 secs Computing kpt #: 100 total cpu time spent up to now is 46.3 secs Computing kpt #: 101 total cpu time spent up to now is 46.8 secs Computing kpt #: 102 total cpu time spent up to now is 47.4 secs Computing kpt #: 103 total cpu time spent up to now is 47.9 secs Computing kpt #: 104 total cpu time spent up to now is 48.6 secs Computing kpt #: 105 total cpu time spent up to now is 49.2 secs Computing kpt #: 106 total cpu time spent up to now is 49.8 secs Computing kpt #: 107 total cpu time spent up to now is 50.3 secs Computing kpt #: 108 total cpu time spent up to now is 50.9 secs Computing kpt #: 109 total cpu time spent up to now is 51.5 secs Computing kpt #: 110 total cpu time spent up to now is 51.9 secs Computing kpt #: 111 total cpu time spent up to now is 52.4 secs Computing kpt #: 112 total cpu time spent up to now is 52.9 secs Computing kpt #: 113 total cpu time spent up to now is 53.2 secs Computing kpt #: 114 total cpu time spent up to now is 53.7 secs Computing kpt #: 115 total cpu time spent up to now is 54.1 secs Computing kpt #: 116 total cpu time spent up to now is 54.6 secs Computing kpt #: 117 total cpu time spent up to now is 55.1 secs Computing kpt #: 118 total cpu time spent up to now is 55.7 secs Computing kpt #: 119 total cpu time spent up to now is 56.1 secs Computing kpt #: 120 total cpu time spent up to now is 56.5 secs Computing kpt #: 121 total cpu time spent up to now is 57.0 secs Computing kpt #: 122 total cpu time spent up to now is 57.4 secs Computing kpt #: 123 total cpu time spent up to now is 57.8 secs Computing kpt #: 124 total cpu time spent up to now is 58.2 secs Computing kpt #: 125 total cpu time spent up to now is 58.5 secs Computing kpt #: 126 total cpu time spent up to now is 58.9 secs Computing kpt #: 127 total cpu time spent up to now is 59.2 secs Computing kpt #: 128 total cpu time spent up to now is 59.5 secs Computing kpt #: 129 total cpu time spent up to now is 59.9 secs Computing kpt #: 130 total cpu time spent up to now is 60.3 secs Computing kpt #: 131 total cpu time spent up to now is 60.6 secs Computing kpt #: 132 total cpu time spent up to now is 61.0 secs Computing kpt #: 133 total cpu time spent up to now is 61.3 secs Computing kpt #: 134 total cpu time spent up to now is 61.7 secs Computing kpt #: 135 total cpu time spent up to now is 62.1 secs Computing kpt #: 136 total cpu time spent up to now is 62.4 secs Computing kpt #: 137 total cpu time spent up to now is 62.7 secs Computing kpt #: 138 total cpu time spent up to now is 63.0 secs Computing kpt #: 139 total cpu time spent up to now is 63.4 secs Computing kpt #: 140 total cpu time spent up to now is 63.7 secs Computing kpt #: 141 total cpu time spent up to now is 64.0 secs Computing kpt #: 142 total cpu time spent up to now is 64.4 secs Computing kpt #: 143 total cpu time spent up to now is 64.8 secs Computing kpt #: 144 total cpu time spent up to now is 65.1 secs Computing kpt #: 145 total cpu time spent up to now is 65.4 secs Computing kpt #: 146 total cpu time spent up to now is 65.7 secs Computing kpt #: 147 total cpu time spent up to now is 66.0 secs Computing kpt #: 148 total cpu time spent up to now is 66.4 secs Computing kpt #: 149 total cpu time spent up to now is 66.7 secs Computing kpt #: 150 total cpu time spent up to now is 67.0 secs Computing kpt #: 151 total cpu time spent up to now is 67.3 secs Computing kpt #: 152 total cpu time spent up to now is 67.7 secs Computing kpt #: 153 total cpu time spent up to now is 68.0 secs Computing kpt #: 154 total cpu time spent up to now is 68.3 secs Computing kpt #: 155 total cpu time spent up to now is 68.6 secs Computing kpt #: 156 total cpu time spent up to now is 68.9 secs Computing kpt #: 157 total cpu time spent up to now is 69.3 secs Computing kpt #: 158 total cpu time spent up to now is 69.6 secs Computing kpt #: 159 total cpu time spent up to now is 70.0 secs Computing kpt #: 160 total cpu time spent up to now is 70.3 secs Computing kpt #: 161 total cpu time spent up to now is 70.6 secs Computing kpt #: 162 total cpu time spent up to now is 70.9 secs Computing kpt #: 163 total cpu time spent up to now is 71.2 secs Computing kpt #: 164 total cpu time spent up to now is 71.6 secs Computing kpt #: 165 total cpu time spent up to now is 71.9 secs Computing kpt #: 166 total cpu time spent up to now is 72.2 secs Computing kpt #: 167 total cpu time spent up to now is 72.5 secs Computing kpt #: 168 total cpu time spent up to now is 72.9 secs Computing kpt #: 169 total cpu time spent up to now is 73.2 secs Computing kpt #: 170 total cpu time spent up to now is 73.6 secs Computing kpt #: 171 total cpu time spent up to now is 73.9 secs Computing kpt #: 172 total cpu time spent up to now is 74.3 secs Computing kpt #: 173 total cpu time spent up to now is 74.6 secs Computing kpt #: 174 total cpu time spent up to now is 74.9 secs Computing kpt #: 175 total cpu time spent up to now is 75.3 secs Computing kpt #: 176 total cpu time spent up to now is 75.6 secs Computing kpt #: 177 total cpu time spent up to now is 76.0 secs Computing kpt #: 178 total cpu time spent up to now is 76.3 secs Computing kpt #: 179 total cpu time spent up to now is 76.7 secs Computing kpt #: 180 total cpu time spent up to now is 77.0 secs Computing kpt #: 181 total cpu time spent up to now is 77.4 secs Computing kpt #: 182 total cpu time spent up to now is 77.7 secs Computing kpt #: 183 total cpu time spent up to now is 78.1 secs Computing kpt #: 184 total cpu time spent up to now is 78.5 secs Computing kpt #: 185 total cpu time spent up to now is 78.8 secs Computing kpt #: 186 total cpu time spent up to now is 79.2 secs Computing kpt #: 187 total cpu time spent up to now is 79.5 secs Computing kpt #: 188 total cpu time spent up to now is 79.8 secs Computing kpt #: 189 total cpu time spent up to now is 80.2 secs Computing kpt #: 190 total cpu time spent up to now is 80.5 secs Computing kpt #: 191 total cpu time spent up to now is 80.8 secs Computing kpt #: 192 total cpu time spent up to now is 81.1 secs Computing kpt #: 193 total cpu time spent up to now is 81.5 secs Computing kpt #: 194 total cpu time spent up to now is 81.8 secs Computing kpt #: 195 total cpu time spent up to now is 82.1 secs Computing kpt #: 196 total cpu time spent up to now is 82.4 secs Computing kpt #: 197 total cpu time spent up to now is 82.8 secs Computing kpt #: 198 total cpu time spent up to now is 83.1 secs Computing kpt #: 199 total cpu time spent up to now is 83.4 secs Computing kpt #: 200 total cpu time spent up to now is 83.7 secs Computing kpt #: 201 total cpu time spent up to now is 84.0 secs Computing kpt #: 202 total cpu time spent up to now is 84.3 secs Computing kpt #: 203 total cpu time spent up to now is 84.7 secs Computing kpt #: 204 total cpu time spent up to now is 85.0 secs Computing kpt #: 205 total cpu time spent up to now is 85.3 secs Computing kpt #: 206 total cpu time spent up to now is 85.6 secs Computing kpt #: 207 total cpu time spent up to now is 86.0 secs Computing kpt #: 208 total cpu time spent up to now is 86.3 secs Computing kpt #: 209 total cpu time spent up to now is 86.6 secs Computing kpt #: 210 total cpu time spent up to now is 87.0 secs Computing kpt #: 211 total cpu time spent up to now is 87.5 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.5 secs Computing kpt #: 213 total cpu time spent up to now is 89.1 secs Computing kpt #: 214 total cpu time spent up to now is 89.7 secs Computing kpt #: 215 total cpu time spent up to now is 90.2 secs Computing kpt #: 216 total cpu time spent up to now is 90.8 secs Computing kpt #: 217 total cpu time spent up to now is 91.4 secs Computing kpt #: 218 total cpu time spent up to now is 91.9 secs Computing kpt #: 219 total cpu time spent up to now is 92.5 secs Computing kpt #: 220 total cpu time spent up to now is 93.1 secs Computing kpt #: 221 total cpu time spent up to now is 94.0 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.0 secs Computing kpt #: 223 total cpu time spent up to now is 95.9 secs Computing kpt #: 224 total cpu time spent up to now is 96.6 secs Computing kpt #: 225 total cpu time spent up to now is 97.4 secs Computing kpt #: 226 total cpu time spent up to now is 98.0 secs Computing kpt #: 227 total cpu time spent up to now is 98.5 secs Computing kpt #: 228 total cpu time spent up to now is 98.9 secs Computing kpt #: 229 total cpu time spent up to now is 99.3 secs Computing kpt #: 230 total cpu time spent up to now is 99.8 secs Computing kpt #: 231 total cpu time spent up to now is 100.2 secs Computing kpt #: 232 total cpu time spent up to now is 100.5 secs Computing kpt #: 233 total cpu time spent up to now is 100.9 secs Computing kpt #: 234 total cpu time spent up to now is 101.2 secs Computing kpt #: 235 total cpu time spent up to now is 101.6 secs Computing kpt #: 236 total cpu time spent up to now is 101.9 secs Computing kpt #: 237 total cpu time spent up to now is 102.2 secs Computing kpt #: 238 total cpu time spent up to now is 102.5 secs Computing kpt #: 239 total cpu time spent up to now is 102.8 secs Computing kpt #: 240 total cpu time spent up to now is 103.2 secs Computing kpt #: 241 total cpu time spent up to now is 103.5 secs Computing kpt #: 242 total cpu time spent up to now is 103.8 secs Computing kpt #: 243 total cpu time spent up to now is 104.1 secs Computing kpt #: 244 total cpu time spent up to now is 104.5 secs Computing kpt #: 245 total cpu time spent up to now is 104.8 secs Computing kpt #: 246 total cpu time spent up to now is 105.2 secs Computing kpt #: 247 total cpu time spent up to now is 105.5 secs Computing kpt #: 248 total cpu time spent up to now is 105.9 secs Computing kpt #: 249 total cpu time spent up to now is 106.2 secs Computing kpt #: 250 total cpu time spent up to now is 106.6 secs Computing kpt #: 251 total cpu time spent up to now is 107.0 secs Computing kpt #: 252 total cpu time spent up to now is 107.3 secs Computing kpt #: 253 total cpu time spent up to now is 107.7 secs Computing kpt #: 254 total cpu time spent up to now is 108.1 secs Computing kpt #: 255 total cpu time spent up to now is 108.5 secs Computing kpt #: 256 total cpu time spent up to now is 109.0 secs Computing kpt #: 257 total cpu time spent up to now is 109.5 secs Computing kpt #: 258 total cpu time spent up to now is 109.9 secs Computing kpt #: 259 total cpu time spent up to now is 110.5 secs Computing kpt #: 260 total cpu time spent up to now is 110.9 secs Computing kpt #: 261 total cpu time spent up to now is 111.6 secs Computing kpt #: 262 total cpu time spent up to now is 112.1 secs Computing kpt #: 263 total cpu time spent up to now is 112.9 secs Computing kpt #: 264 total cpu time spent up to now is 113.6 secs Computing kpt #: 265 total cpu time spent up to now is 114.2 secs Computing kpt #: 266 total cpu time spent up to now is 114.7 secs Computing kpt #: 267 total cpu time spent up to now is 115.2 secs Computing kpt #: 268 total cpu time spent up to now is 115.7 secs Computing kpt #: 269 total cpu time spent up to now is 116.2 secs Computing kpt #: 270 total cpu time spent up to now is 117.0 secs Computing kpt #: 271 total cpu time spent up to now is 117.5 secs Computing kpt #: 272 total cpu time spent up to now is 118.0 secs Computing kpt #: 273 total cpu time spent up to now is 118.6 secs Computing kpt #: 274 total cpu time spent up to now is 119.1 secs Computing kpt #: 275 total cpu time spent up to now is 119.6 secs Computing kpt #: 276 total cpu time spent up to now is 120.1 secs Computing kpt #: 277 total cpu time spent up to now is 120.7 secs Computing kpt #: 278 total cpu time spent up to now is 121.3 secs Computing kpt #: 279 total cpu time spent up to now is 121.8 secs Computing kpt #: 280 total cpu time spent up to now is 122.4 secs Computing kpt #: 281 total cpu time spent up to now is 123.0 secs Computing kpt #: 282 total cpu time spent up to now is 123.7 secs Computing kpt #: 283 total cpu time spent up to now is 124.6 secs Computing kpt #: 284 total cpu time spent up to now is 125.5 secs Computing kpt #: 285 total cpu time spent up to now is 126.2 secs Computing kpt #: 286 total cpu time spent up to now is 126.7 secs Computing kpt #: 287 total cpu time spent up to now is 127.1 secs Computing kpt #: 288 total cpu time spent up to now is 127.5 secs Computing kpt #: 289 total cpu time spent up to now is 127.8 secs Computing kpt #: 290 total cpu time spent up to now is 128.2 secs Computing kpt #: 291 total cpu time spent up to now is 128.5 secs Computing kpt #: 292 total cpu time spent up to now is 128.8 secs Computing kpt #: 293 total cpu time spent up to now is 129.1 secs Computing kpt #: 294 total cpu time spent up to now is 129.5 secs Computing kpt #: 295 total cpu time spent up to now is 129.8 secs Computing kpt #: 296 total cpu time spent up to now is 130.1 secs Computing kpt #: 297 total cpu time spent up to now is 130.4 secs Computing kpt #: 298 total cpu time spent up to now is 130.8 secs Computing kpt #: 299 total cpu time spent up to now is 131.1 secs Computing kpt #: 300 total cpu time spent up to now is 131.5 secs Computing kpt #: 301 total cpu time spent up to now is 131.9 secs Computing kpt #: 302 total cpu time spent up to now is 132.3 secs Computing kpt #: 303 total cpu time spent up to now is 132.7 secs Computing kpt #: 304 total cpu time spent up to now is 133.1 secs Computing kpt #: 305 total cpu time spent up to now is 133.4 secs Computing kpt #: 306 total cpu time spent up to now is 133.8 secs Computing kpt #: 307 total cpu time spent up to now is 134.2 secs Computing kpt #: 308 total cpu time spent up to now is 134.5 secs Computing kpt #: 309 total cpu time spent up to now is 134.9 secs Computing kpt #: 310 total cpu time spent up to now is 135.2 secs Computing kpt #: 311 total cpu time spent up to now is 135.6 secs Computing kpt #: 312 total cpu time spent up to now is 135.9 secs Computing kpt #: 313 total cpu time spent up to now is 136.2 secs Computing kpt #: 314 total cpu time spent up to now is 136.6 secs Computing kpt #: 315 total cpu time spent up to now is 136.9 secs Computing kpt #: 316 total cpu time spent up to now is 137.3 secs Computing kpt #: 317 total cpu time spent up to now is 137.6 secs Computing kpt #: 318 total cpu time spent up to now is 137.9 secs Computing kpt #: 319 total cpu time spent up to now is 138.2 secs Computing kpt #: 320 total cpu time spent up to now is 138.5 secs Computing kpt #: 321 total cpu time spent up to now is 138.9 secs Computing kpt #: 322 total cpu time spent up to now is 139.2 secs Computing kpt #: 323 total cpu time spent up to now is 139.5 secs Computing kpt #: 324 total cpu time spent up to now is 139.8 secs Computing kpt #: 325 total cpu time spent up to now is 140.2 secs Computing kpt #: 326 total cpu time spent up to now is 140.5 secs Computing kpt #: 327 total cpu time spent up to now is 140.8 secs Computing kpt #: 328 total cpu time spent up to now is 141.1 secs Computing kpt #: 329 total cpu time spent up to now is 141.5 secs Computing kpt #: 330 total cpu time spent up to now is 141.8 secs Computing kpt #: 331 total cpu time spent up to now is 142.2 secs Computing kpt #: 332 total cpu time spent up to now is 142.5 secs Computing kpt #: 333 total cpu time spent up to now is 142.9 secs Computing kpt #: 334 total cpu time spent up to now is 143.2 secs Computing kpt #: 335 total cpu time spent up to now is 143.6 secs Computing kpt #: 336 total cpu time spent up to now is 144.2 secs Computing kpt #: 337 total cpu time spent up to now is 144.9 secs Computing kpt #: 338 total cpu time spent up to now is 145.5 secs Computing kpt #: 339 total cpu time spent up to now is 146.2 secs Computing kpt #: 340 total cpu time spent up to now is 146.9 secs Computing kpt #: 341 total cpu time spent up to now is 147.6 secs Computing kpt #: 342 total cpu time spent up to now is 148.5 secs Computing kpt #: 343 total cpu time spent up to now is 149.3 secs Computing kpt #: 344 total cpu time spent up to now is 150.1 secs Computing kpt #: 345 total cpu time spent up to now is 150.9 secs Computing kpt #: 346 total cpu time spent up to now is 152.4 secs Computing kpt #: 347 total cpu time spent up to now is 153.1 secs Computing kpt #: 348 total cpu time spent up to now is 154.0 secs Computing kpt #: 349 total cpu time spent up to now is 154.9 secs Computing kpt #: 350 total cpu time spent up to now is 155.6 secs Computing kpt #: 351 total cpu time spent up to now is 156.3 secs Computing kpt #: 352 total cpu time spent up to now is 156.9 secs Computing kpt #: 353 total cpu time spent up to now is 157.6 secs Computing kpt #: 354 total cpu time spent up to now is 158.3 secs Computing kpt #: 355 total cpu time spent up to now is 159.0 secs Computing kpt #: 356 total cpu time spent up to now is 159.7 secs Computing kpt #: 357 total cpu time spent up to now is 160.1 secs Computing kpt #: 358 total cpu time spent up to now is 160.5 secs Computing kpt #: 359 total cpu time spent up to now is 161.0 secs Computing kpt #: 360 total cpu time spent up to now is 161.5 secs Computing kpt #: 361 total cpu time spent up to now is 162.1 secs Computing kpt #: 362 total cpu time spent up to now is 162.8 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.8 secs Computing kpt #: 364 total cpu time spent up to now is 164.5 secs Computing kpt #: 365 total cpu time spent up to now is 165.3 secs Computing kpt #: 366 total cpu time spent up to now is 166.0 secs Computing kpt #: 367 total cpu time spent up to now is 166.6 secs Computing kpt #: 368 total cpu time spent up to now is 167.3 secs Computing kpt #: 369 total cpu time spent up to now is 167.8 secs Computing kpt #: 370 total cpu time spent up to now is 168.4 secs Computing kpt #: 371 total cpu time spent up to now is 168.9 secs Computing kpt #: 372 total cpu time spent up to now is 169.5 secs Computing kpt #: 373 total cpu time spent up to now is 170.0 secs Computing kpt #: 374 total cpu time spent up to now is 170.5 secs Computing kpt #: 375 total cpu time spent up to now is 171.0 secs Computing kpt #: 376 total cpu time spent up to now is 171.6 secs Computing kpt #: 377 total cpu time spent up to now is 172.1 secs ethr = 3.57E-08, avg # of iterations = 36.1 total cpu time spent up to now is 172.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -9.8684 -9.8684 -9.4819 -9.4819 -4.1128 -4.1128 2.7107 2.7107 3.5959 3.5959 4.6251 4.6251 4.6497 4.6497 5.0935 5.0935 5.3152 5.3152 5.3251 5.3251 5.3902 5.3902 5.4268 5.4268 6.1125 6.1125 6.1283 6.1283 7.8716 7.8716 8.5698 8.5698 8.9303 8.9303 8.9891 8.9891 k = 0.0000 0.0111-0.0000 ( 3987 PWs) bands (ev): -9.8680 -9.8680 -9.4818 -9.4818 -4.1115 -4.1115 2.7107 2.7107 3.5967 3.5967 4.6245 4.6245 4.6490 4.6490 5.0449 5.0449 5.3201 5.3201 5.3630 5.3630 5.3872 5.3872 5.4238 5.4238 6.1137 6.1137 6.1310 6.1310 7.8745 7.8745 8.5729 8.5729 8.9289 8.9289 8.9877 8.9877 k = 0.0000 0.0222-0.0000 ( 3983 PWs) bands (ev): -9.8671 -9.8671 -9.4815 -9.4815 -4.1075 -4.1075 2.7106 2.7106 3.5991 3.5991 4.6224 4.6224 4.6469 4.6469 4.9457 4.9457 5.3217 5.3217 5.3769 5.3769 5.4157 5.4157 5.4443 5.4443 6.1172 6.1172 6.1391 6.1391 7.8829 7.8829 8.5820 8.5820 8.9246 8.9246 8.9835 8.9835 k = 0.0000 0.0333-0.0000 ( 3981 PWs) bands (ev): -9.8654 -9.8654 -9.4809 -9.4809 -4.1009 -4.1009 2.7104 2.7104 3.6030 3.6030 4.6164 4.6164 4.6434 4.6434 4.8326 4.8326 5.3239 5.3239 5.3574 5.3574 5.4058 5.4058 5.5306 5.5306 6.1231 6.1231 6.1520 6.1520 7.8966 7.8966 8.5968 8.5968 8.9176 8.9176 8.9768 8.9768 k = 0.0000 0.0444-0.0000 ( 3981 PWs) bands (ev): -9.8632 -9.8632 -9.4802 -9.4802 -4.0916 -4.0916 2.7100 2.7100 3.6086 3.6086 4.5934 4.5934 4.6382 4.6382 4.7272 4.7272 5.3257 5.3257 5.3296 5.3296 5.3950 5.3950 5.6144 5.6144 6.1313 6.1313 6.1690 6.1690 7.9152 7.9152 8.6167 8.6167 8.9082 8.9082 8.9681 8.9681 k = 0.0000 0.0556-0.0000 ( 3977 PWs) bands (ev): -9.8603 -9.8603 -9.4792 -9.4792 -4.0796 -4.0796 2.7096 2.7096 3.6157 3.6157 4.5126 4.5126 4.6327 4.6327 4.6720 4.6720 5.2905 5.2905 5.3315 5.3315 5.3833 5.3833 5.6936 5.6936 6.1417 6.1417 6.1891 6.1891 7.9380 7.9380 8.6409 8.6409 8.8968 8.8968 8.9581 8.9581 k = 0.0000 0.0667-0.0000 ( 3981 PWs) bands (ev): -9.8568 -9.8568 -9.4781 -9.4781 -4.0650 -4.0650 2.7089 2.7089 3.6243 3.6243 4.3851 4.3851 4.6277 4.6277 4.6566 4.6566 5.2461 5.2461 5.3370 5.3370 5.3701 5.3701 5.7675 5.7675 6.1543 6.1543 6.2118 6.2118 7.9645 7.9645 8.6674 8.6674 8.8849 8.8849 8.9472 8.9472 k = 0.0000 0.0778-0.0000 ( 3985 PWs) bands (ev): -9.8526 -9.8526 -9.4767 -9.4767 -4.0478 -4.0478 2.7080 2.7080 3.6344 3.6344 4.2428 4.2428 4.6227 4.6227 4.6506 4.6506 5.1961 5.1961 5.3438 5.3438 5.3553 5.3553 5.8358 5.8358 6.1692 6.1692 6.2363 6.2363 7.9940 7.9940 8.6932 8.6932 8.8753 8.8753 8.9363 8.9363 k = 0.0000 0.0889-0.0000 ( 3981 PWs) bands (ev): -9.8479 -9.8479 -9.4752 -9.4752 -4.0279 -4.0279 2.7068 2.7068 3.6460 3.6460 4.0937 4.0937 4.6177 4.6177 4.6471 4.6471 5.1414 5.1414 5.3385 5.3385 5.3524 5.3524 5.8985 5.8985 6.1869 6.1869 6.2620 6.2620 8.0261 8.0261 8.7123 8.7123 8.8730 8.8730 8.9262 8.9262 k = 0.0000 0.1000-0.0000 ( 3985 PWs) bands (ev): -9.8426 -9.8426 -9.4735 -9.4735 -4.0053 -4.0053 2.7051 2.7051 3.6589 3.6589 3.9403 3.9403 4.6126 4.6126 4.6442 4.6442 5.0828 5.0828 5.3201 5.3201 5.3626 5.3626 5.9549 5.9549 6.2080 6.2080 6.2885 6.2885 8.0603 8.0603 8.7179 8.7179 8.8814 8.8814 8.9208 8.9208 k = 0.0000 0.1111-0.0000 ( 3981 PWs) bands (ev): -9.8367 -9.8367 -9.4717 -9.4717 -3.9801 -3.9801 2.7031 2.7031 3.6733 3.6733 3.7837 3.7837 4.6077 4.6077 4.6415 4.6415 5.0211 5.0211 5.3000 5.3000 5.3748 5.3748 6.0044 6.0044 6.2336 6.2336 6.3154 6.3154 8.0962 8.0962 8.7090 8.7090 8.8863 8.8863 8.9355 8.9355 k = 0.0000 0.1222-0.0000 ( 3985 PWs) bands (ev): -9.8303 -9.8303 -9.4698 -9.4698 -3.9523 -3.9523 2.7004 2.7004 3.6249 3.6249 3.6890 3.6890 4.6033 4.6033 4.6384 4.6384 4.9568 4.9568 5.2782 5.2782 5.3891 5.3891 6.0464 6.0464 6.2645 6.2645 6.3421 6.3421 8.1338 8.1338 8.6906 8.6906 8.8796 8.8796 8.9736 8.9736 k = 0.0000 0.1333-0.0000 ( 3989 PWs) bands (ev): -9.8233 -9.8233 -9.4677 -9.4677 -3.9217 -3.9217 2.6970 2.6970 3.4645 3.4645 3.7059 3.7059 4.5994 4.5994 4.6348 4.6348 4.8904 4.8904 5.2549 5.2549 5.4057 5.4057 6.0805 6.0805 6.3012 6.3012 6.3683 6.3683 8.1729 8.1729 8.6675 8.6675 8.8697 8.8697 9.0222 9.0222 k = 0.0000 0.1444-0.0000 ( 3999 PWs) bands (ev): -9.8159 -9.8159 -9.4656 -9.4656 -3.8886 -3.8886 2.6924 2.6924 3.3035 3.3035 3.7239 3.7239 4.5963 4.5963 4.6306 4.6306 4.8225 4.8225 5.2302 5.2302 5.4248 5.4248 6.1074 6.1074 6.3432 6.3432 6.3937 6.3937 8.2134 8.2134 8.6425 8.6425 8.8592 8.8592 9.0763 9.0763 k = 0.0000 0.1556-0.0000 ( 3993 PWs) bands (ev): -9.8079 -9.8079 -9.4634 -9.4634 -3.8528 -3.8528 2.6860 2.6860 3.1429 3.1429 3.7429 3.7429 4.5939 4.5939 4.6258 4.6258 4.7536 4.7536 5.2042 5.2042 5.4465 5.4465 6.1283 6.1283 6.3891 6.3891 6.4179 6.4179 8.2555 8.2555 8.6172 8.6172 8.8484 8.8484 9.1338 9.1339 k = 0.0000 0.1667-0.0000 ( 3989 PWs) bands (ev): -9.7996 -9.7996 -9.4611 -9.4611 -3.8143 -3.8143 2.6755 2.6755 2.9854 2.9854 3.7628 3.7628 4.5921 4.5921 4.6206 4.6206 4.6843 4.6843 5.1770 5.1770 5.4708 5.4708 6.1448 6.1448 6.4348 6.4348 6.4435 6.4435 8.2991 8.2991 8.5928 8.5928 8.8376 8.8376 9.1938 9.1938 k = 0.0000 0.1778-0.0000 ( 3987 PWs) bands (ev): -9.7907 -9.7907 -9.4589 -9.4589 -3.7732 -3.7732 2.6516 2.6516 2.8404 2.8404 3.7833 3.7833 4.5896 4.5896 4.6101 4.6101 4.6211 4.6211 5.1488 5.1488 5.4979 5.4979 6.1577 6.1577 6.4589 6.4589 6.4906 6.4906 8.3442 8.3442 8.5705 8.5705 8.8267 8.8267 9.2554 9.2554 k = 0.0000 0.1889-0.0000 ( 3987 PWs) bands (ev): -9.7815 -9.7815 -9.4566 -9.4566 -3.7295 -3.7295 2.5785 2.5785 2.7445 2.7445 3.8042 3.8042 4.5432 4.5432 4.5883 4.5883 4.6138 4.6138 5.1197 5.1197 5.5278 5.5278 6.1678 6.1678 6.4767 6.4767 6.5424 6.5424 8.3901 8.3901 8.5515 8.5515 8.8155 8.8155 9.3183 9.3183 k = 0.0000 0.2000-0.0000 ( 3989 PWs) bands (ev): -9.7720 -9.7720 -9.4544 -9.4544 -3.6831 -3.6831 2.4432 2.4432 2.7106 2.7106 3.8250 3.8250 4.4752 4.4752 4.5830 4.5830 4.6133 4.6133 5.0898 5.0898 5.5605 5.5605 6.1757 6.1757 6.4914 6.4914 6.5952 6.5952 8.4341 8.4341 8.5393 8.5393 8.8037 8.8037 9.3820 9.3820 k = 0.0000 0.2111-0.0000 ( 3981 PWs) bands (ev): -9.7620 -9.7620 -9.4523 -9.4523 -3.6340 -3.6340 2.2882 2.2882 2.6966 2.6966 3.8451 3.8451 4.4087 4.4087 4.5755 4.5755 4.6158 4.6158 5.0594 5.0594 5.5960 5.5960 6.1815 6.1815 6.5028 6.5028 6.6484 6.6484 8.4657 8.4657 8.5448 8.5448 8.7913 8.7913 9.4464 9.4464 k = 0.0000 0.2222-0.0000 ( 3979 PWs) bands (ev): -9.7518 -9.7518 -9.4502 -9.4502 -3.5823 -3.5823 2.1285 2.1285 2.6879 2.6879 3.8633 3.8633 4.3451 4.3451 4.5665 4.5665 4.6206 4.6206 5.0285 5.0285 5.6343 5.6343 6.1855 6.1855 6.5107 6.5107 6.7017 6.7017 8.4723 8.4723 8.5807 8.5807 8.7777 8.7777 9.5113 9.5113 k = 0.0000 0.2333-0.0000 ( 3977 PWs) bands (ev): -9.7413 -9.7413 -9.4483 -9.4483 -3.5280 -3.5280 1.9676 1.9676 2.6812 2.6812 3.8779 3.8779 4.2866 4.2866 4.5565 4.5565 4.6272 4.6272 4.9972 4.9972 5.6754 5.6754 6.1879 6.1879 6.5151 6.5151 6.7550 6.7550 8.4673 8.4673 8.6336 8.6336 8.7631 8.7631 9.5764 9.5764 k = 0.0000 0.2444-0.0000 ( 3973 PWs) bands (ev): -9.7306 -9.7306 -9.4465 -9.4465 -3.4711 -3.4711 1.8068 1.8068 2.6754 2.6754 3.8857 3.8857 4.2363 4.2363 4.5458 4.5458 4.6352 4.6352 4.9658 4.9658 5.7192 5.7192 6.1887 6.1887 6.5157 6.5157 6.8081 6.8081 8.4607 8.4607 8.6915 8.6915 8.7488 8.7488 9.6418 9.6418 k = 0.0000 0.2556-0.0000 ( 3969 PWs) bands (ev): -9.7196 -9.7196 -9.4449 -9.4449 -3.4115 -3.4115 1.6467 1.6467 2.6704 2.6704 3.8826 3.8826 4.1985 4.1985 4.5347 4.5347 4.6443 4.6443 4.9343 4.9343 5.7657 5.7657 6.1881 6.1881 6.5128 6.5128 6.8610 6.8610 8.4546 8.4546 8.7173 8.7173 8.7690 8.7690 9.7073 9.7073 k = 0.0000 0.2667-0.0000 ( 3967 PWs) bands (ev): -9.7085 -9.7085 -9.4434 -9.4434 -3.3493 -3.3493 1.4874 1.4874 2.6660 2.6660 3.8645 3.8645 4.1774 4.1774 4.5234 4.5234 4.6543 4.6543 4.9030 4.9030 5.8147 5.8147 6.1860 6.1860 6.5063 6.5063 6.9137 6.9137 8.4495 8.4495 8.6983 8.6983 8.8351 8.8351 9.7728 9.7728 k = 0.0000 0.2778-0.0000 ( 3965 PWs) bands (ev): -9.6973 -9.6973 -9.4422 -9.4422 -3.2844 -3.2844 1.3293 1.3293 2.6623 2.6623 3.8311 3.8311 4.1732 4.1732 4.5120 4.5120 4.6651 4.6651 4.8718 4.8718 5.8664 5.8664 6.1827 6.1827 6.4965 6.4965 6.9660 6.9660 8.4451 8.4451 8.6726 8.6726 8.9083 8.9083 9.8382 9.8382 k = 0.0000 0.2889-0.0000 ( 3957 PWs) bands (ev): -9.6859 -9.6859 -9.4412 -9.4412 -3.2170 -3.2170 1.1725 1.1725 2.6593 2.6593 3.7862 3.7862 4.1824 4.1824 4.5007 4.5007 4.6764 4.6764 4.8410 4.8410 5.9205 5.9205 6.1781 6.1781 6.4837 6.4837 7.0181 7.0181 8.4408 8.4408 8.6423 8.6423 8.9857 8.9857 9.9032 9.9032 k = 0.0000 0.3000-0.0000 ( 3953 PWs) bands (ev): -9.6745 -9.6745 -9.4405 -9.4405 -3.1469 -3.1469 1.0172 1.0172 2.6572 2.6572 3.7343 3.7343 4.2003 4.2003 4.4896 4.4896 4.6880 4.6880 4.8106 4.8106 5.9771 5.9771 6.1725 6.1725 6.4681 6.4681 7.0699 7.0699 8.4363 8.4363 8.6076 8.6076 9.0669 9.0669 9.9672 9.9672 k = 0.0000 0.3111-0.0000 ( 3949 PWs) bands (ev): -9.6631 -9.6631 -9.4401 -9.4401 -3.0742 -3.0742 0.8635 0.8635 2.6560 2.6560 3.6788 3.6788 4.2237 4.2237 4.4789 4.4789 4.6997 4.6997 4.7808 4.7808 6.0360 6.0360 6.1660 6.1660 6.4503 6.4503 7.1214 7.1214 8.4308 8.4308 8.5681 8.5681 9.1516 9.1516 10.0271 10.0271 k = 0.0000 0.3222-0.0000 ( 3945 PWs) bands (ev): -9.6516 -9.6516 -9.4400 -9.4400 -2.9989 -2.9989 0.7114 0.7114 2.6559 2.6559 3.6216 3.6216 4.2505 4.2505 4.4686 4.4686 4.7112 4.7112 4.7517 4.7517 6.0972 6.0972 6.1588 6.1588 6.4305 6.4305 7.1728 7.1728 8.4237 8.4237 8.5238 8.5238 9.2395 9.2395 10.0587 10.0588 k = 0.0000 0.3333-0.0000 ( 3939 PWs) bands (ev): -9.6402 -9.6402 -9.4403 -9.4403 -2.9211 -2.9211 0.5610 0.5610 2.6570 2.6570 3.5641 3.5641 4.2796 4.2796 4.4589 4.4589 4.7217 4.7217 4.7240 4.7240 6.1494 6.1494 6.1621 6.1621 6.4091 6.4091 7.2239 7.2239 8.4143 8.4143 8.4750 8.4750 9.3304 9.3304 10.0612 10.0612 k = 0.0000 0.3444-0.0000 ( 3947 PWs) bands (ev): -9.6289 -9.6289 -9.4409 -9.4409 -2.8406 -2.8406 0.4125 0.4125 2.6594 2.6594 3.5070 3.5070 4.3100 4.3100 4.4499 4.4499 4.6958 4.6958 4.7330 4.7330 6.1421 6.1421 6.2266 6.2266 6.3867 6.3867 7.2749 7.2749 8.3988 8.3988 8.4249 8.4249 9.4240 9.4240 10.0631 10.0631 k = 0.0000 0.3556-0.0000 ( 3953 PWs) bands (ev): -9.6177 -9.6177 -9.4419 -9.4419 -2.7575 -2.7575 0.2659 0.2659 2.6631 2.6631 3.4507 3.4507 4.3414 4.3414 4.4417 4.4417 4.6692 4.6692 4.7428 4.7428 6.1336 6.1336 6.2938 6.2938 6.3637 6.3637 7.3259 7.3259 8.3550 8.3550 8.3959 8.3959 9.5200 9.5200 10.0678 10.0678 k = 0.0000 0.3667-0.0000 ( 3945 PWs) bands (ev): -9.6066 -9.6066 -9.4433 -9.4433 -2.6719 -2.6719 0.1212 0.1212 2.6684 2.6684 3.3956 3.3956 4.3731 4.3731 4.4344 4.4344 4.6437 4.6437 4.7515 4.7515 6.1251 6.1251 6.3366 6.3366 6.3668 6.3668 7.3767 7.3767 8.2930 8.2930 8.3778 8.3778 9.6181 9.6181 10.0759 10.0759 k = 0.0000 0.3778-0.0000 ( 3953 PWs) bands (ev): -9.5957 -9.5957 -9.4451 -9.4451 -2.5837 -2.5837 -0.0215 -0.0215 2.6753 2.6753 3.3419 3.3419 4.4047 4.4047 4.4285 4.4285 4.6193 4.6193 4.7588 4.7588 6.1168 6.1168 6.3142 6.3142 6.4368 6.4368 7.4275 7.4275 8.2256 8.2256 8.3581 8.3581 9.7178 9.7178 10.0876 10.0876 k = 0.0000 0.3889-0.0000 ( 3953 PWs) bands (ev): -9.5850 -9.5850 -9.4474 -9.4474 -2.4929 -2.4929 -0.1621 -0.1621 2.6839 2.6839 3.2898 3.2898 4.4213 4.4213 4.4384 4.4384 4.5960 4.5960 4.7647 4.7647 6.1091 6.1091 6.2904 6.2904 6.5102 6.5102 7.4782 7.4782 8.1541 8.1541 8.3358 8.3358 9.8187 9.8187 10.1026 10.1026 k = 0.0000 0.4000-0.0000 ( 3953 PWs) bands (ev): -9.5745 -9.5745 -9.4500 -9.4500 -2.3996 -2.3996 -0.3007 -0.3007 2.6943 2.6943 3.2395 3.2395 4.4177 4.4177 4.4694 4.4694 4.5740 4.5740 4.7688 4.7688 6.1022 6.1022 6.2668 6.2668 6.5855 6.5855 7.5287 7.5287 8.0793 8.0793 8.3105 8.3105 9.9203 9.9203 10.1211 10.1211 k = 0.0000 0.4111-0.0000 ( 3955 PWs) bands (ev): -9.5643 -9.5643 -9.4532 -9.4532 -2.3037 -2.3037 -0.4371 -0.4371 2.7066 2.7066 3.1911 3.1911 4.4148 4.4148 4.5003 4.5003 4.5533 4.5533 4.7709 4.7709 6.0962 6.0962 6.2439 6.2439 6.6625 6.6625 7.5791 7.5791 8.0017 8.0017 8.2824 8.2824 10.0218 10.0218 10.1429 10.1429 k = 0.0000 0.4222-0.0000 ( 3955 PWs) bands (ev): -9.5544 -9.5544 -9.4568 -9.4568 -2.2054 -2.2054 -0.5713 -0.5713 2.7208 2.7208 3.1447 3.1447 4.4129 4.4129 4.5305 4.5305 4.5339 4.5339 4.7710 4.7710 6.0916 6.0916 6.2219 6.2219 6.7412 6.7412 7.6291 7.6291 7.9220 7.9220 8.2515 8.2515 10.1208 10.1208 10.1697 10.1697 k = 0.0000 0.4333-0.0000 ( 3959 PWs) bands (ev): -9.5448 -9.5448 -9.4608 -9.4608 -2.1045 -2.1045 -0.7033 -0.7033 2.7370 2.7370 3.1003 3.1003 4.4124 4.4124 4.5159 4.5159 4.5599 4.5599 4.7687 4.7687 6.0884 6.0884 6.2010 6.2010 6.8213 6.8213 7.6780 7.6780 7.8412 7.8412 8.2180 8.2180 10.1864 10.1864 10.2312 10.2312 k = 0.0000 0.4444-0.0000 ( 3959 PWs) bands (ev): -9.5355 -9.5355 -9.4654 -9.4654 -2.0011 -2.0011 -0.8330 -0.8330 2.7553 2.7553 3.0579 3.0579 4.4131 4.4131 4.4992 4.4992 4.5880 4.5880 4.7641 4.7641 6.0869 6.0869 6.1814 6.1814 6.9027 6.9027 7.7179 7.7179 7.7677 7.7677 8.1821 8.1821 10.2183 10.2183 10.3265 10.3265 k = 0.0000 0.4556-0.0000 ( 3955 PWs) bands (ev): -9.5266 -9.5266 -9.4703 -9.4703 -1.8952 -1.8952 -0.9605 -0.9605 2.7757 2.7757 3.0178 3.0178 4.4152 4.4152 4.4840 4.4840 4.6147 4.6147 4.7570 4.7570 6.0872 6.0872 6.1633 6.1633 6.9853 6.9853 7.6655 7.6655 7.7847 7.7847 8.1438 8.1438 10.2496 10.2496 10.4195 10.4195 k = 0.0000 0.4667-0.0000 ( 3955 PWs) bands (ev): -9.5181 -9.5181 -9.4758 -9.4758 -1.7868 -1.7868 -1.0856 -1.0856 2.7982 2.7982 2.9797 2.9797 4.4187 4.4187 4.4703 4.4703 4.6399 4.6399 4.7474 4.7474 6.0895 6.0895 6.1469 6.1469 7.0690 7.0690 7.5821 7.5821 7.8315 7.8315 8.1035 8.1035 10.2822 10.2822 10.4952 10.4980 k = 0.0000 0.4778-0.0000 ( 3951 PWs) bands (ev): -9.5100 -9.5100 -9.4817 -9.4817 -1.6760 -1.6760 -1.2085 -1.2085 2.8229 2.8229 2.9439 2.9439 4.4237 4.4237 4.4580 4.4580 4.6632 4.6632 4.7353 4.7353 6.0939 6.0939 6.1323 6.1323 7.1536 7.1536 7.4967 7.4967 7.8792 7.8792 8.0614 8.0614 10.3162 10.3162 10.4605 10.4605 k = 0.0000 0.4889-0.0000 ( 3958 PWs) bands (ev): -9.5022 -9.5022 -9.4881 -9.4881 -1.5627 -1.5627 -1.3289 -1.3289 2.8498 2.8498 2.9103 2.9103 4.4300 4.4300 4.4472 4.4472 4.6846 4.6846 4.7207 4.7207 6.1004 6.1004 6.1196 6.1196 7.2389 7.2389 7.4107 7.4107 7.9263 7.9263 8.0177 8.0177 10.3513 10.3513 10.4237 10.4238 k = 0.0000 0.5000-0.0000 ( 3970 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4470 -1.4470 -1.4470 -1.4470 2.8790 2.8790 2.8790 2.8790 4.4379 4.4379 4.4379 4.4379 4.7038 4.7038 4.7038 4.7038 6.1089 6.1089 6.1089 6.1089 7.3246 7.3246 7.3246 7.3246 7.9726 7.9726 7.9726 7.9726 10.3872 10.3872 10.3872 10.3872 k = 0.0000 0.5000-0.0000 ( 3970 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4470 -1.4470 -1.4470 -1.4470 2.8790 2.8790 2.8790 2.8790 4.4379 4.4379 4.4379 4.4379 4.7038 4.7038 4.7038 4.7038 6.1089 6.1089 6.1089 6.1089 7.3246 7.3246 7.3246 7.3246 7.9726 7.9726 7.9726 7.9726 10.3872 10.3872 10.3872 10.3872 k = 0.0111 0.5000-0.0000 ( 3958 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4460 -1.4460 -1.4454 -1.4454 2.8797 2.8797 2.8802 2.8802 4.4372 4.4372 4.4375 4.4375 4.7036 4.7036 4.7044 4.7044 6.1080 6.1080 6.1088 6.1088 7.2941 7.2941 7.3061 7.3061 7.9862 7.9862 8.0009 8.0009 10.3799 10.3799 10.3808 10.3808 k = 0.0222 0.5000-0.0000 ( 3960 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4424 -1.4424 -1.4412 -1.4412 2.8824 2.8824 2.8834 2.8834 4.4354 4.4354 4.4361 4.4361 4.7039 4.7039 4.7055 4.7055 6.1061 6.1061 6.1075 6.1075 7.2241 7.2241 7.2442 7.2442 8.0363 8.0363 8.0617 8.0617 10.3603 10.3603 10.3622 10.3622 k = 0.0333 0.5000-0.0000 ( 3964 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4361 -1.4361 -1.4343 -1.4343 2.8869 2.8869 2.8885 2.8885 4.4327 4.4327 4.4337 4.4337 4.7046 4.7046 4.7070 4.7070 6.1030 6.1030 6.1052 6.1052 7.1286 7.1286 7.1530 7.1530 8.1088 8.1088 8.1409 8.1409 10.3321 10.3321 10.3351 10.3351 k = 0.0444 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4272 -1.4272 -1.4249 -1.4249 2.8934 2.8934 2.8955 2.8955 4.4292 4.4292 4.4305 4.4305 4.7057 4.7057 4.7087 4.7087 6.0989 6.0989 6.1018 6.1018 7.0175 7.0175 7.0438 7.0438 8.1927 8.1927 8.2290 8.2290 10.2984 10.2984 10.3024 10.3024 k = 0.0556 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4157 -1.4157 -1.4128 -1.4128 2.9017 2.9017 2.9043 2.9043 4.4251 4.4251 4.4265 4.4265 4.7069 4.7069 4.7106 4.7106 6.0936 6.0936 6.0974 6.0974 6.8962 6.8962 6.9233 6.9233 8.2814 8.2814 8.3206 8.3206 10.2614 10.2614 10.2665 10.2665 k = 0.0667 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4948 -9.4948 -9.4948 -9.4948 -1.4016 -1.4016 -1.3981 -1.3981 2.9118 2.9118 2.9148 2.9148 4.4205 4.4205 4.4221 4.4221 4.7081 4.7081 4.7124 4.7124 6.0872 6.0872 6.0918 6.0918 6.7680 6.7680 6.7954 6.7954 8.3716 8.3716 8.4129 8.4129 10.2227 10.2227 10.2288 10.2288 k = 0.0778 0.5000-0.0000 ( 3946 PWs) bands (ev): -9.4948 -9.4948 -9.4948 -9.4948 -1.3849 -1.3849 -1.3808 -1.3808 2.9235 2.9235 2.9271 2.9271 4.4155 4.4155 4.4172 4.4172 4.7092 4.7092 4.7140 4.7140 6.0796 6.0796 6.0851 6.0851 6.6348 6.6348 6.6622 6.6622 8.4614 8.4614 8.5042 8.5042 10.1832 10.1832 10.1902 10.1902 k = 0.0889 0.5000-0.0000 ( 3944 PWs) bands (ev): -9.4948 -9.4948 -9.4948 -9.4948 -1.3655 -1.3655 -1.3609 -1.3609 2.9368 2.9368 2.9408 2.9408 4.4105 4.4105 4.4123 4.4123 4.7100 4.7100 4.7153 4.7153 6.0706 6.0706 6.0772 6.0772 6.4979 6.4979 6.5253 6.5253 8.5500 8.5500 8.5938 8.5938 10.1436 10.1436 10.1513 10.1513 k = 0.1000 0.5000-0.0000 ( 3944 PWs) bands (ev): -9.4947 -9.4947 -9.4947 -9.4947 -1.3436 -1.3436 -1.3384 -1.3384 2.9516 2.9516 2.9561 2.9561 4.4056 4.4056 4.4074 4.4074 4.7105 4.7105 4.7161 4.7161 6.0596 6.0596 6.0676 6.0676 6.3587 6.3587 6.3863 6.3863 8.6368 8.6368 8.6812 8.6812 10.1044 10.1044 10.1125 10.1125 k = 0.1111 0.5000-0.0000 ( 3948 PWs) bands (ev): -9.4947 -9.4947 -9.4947 -9.4947 -1.3191 -1.3191 -1.3134 -1.3134 2.9677 2.9677 2.9726 2.9726 4.4009 4.4009 4.4026 4.4026 4.7103 4.7103 4.7163 4.7163 6.0448 6.0448 6.0547 6.0547 6.2193 6.2193 6.2478 6.2478 8.7215 8.7215 8.7662 8.7662 10.0659 10.0659 10.0742 10.0742 k = 0.1222 0.5000-0.0000 ( 3940 PWs) bands (ev): -9.4946 -9.4946 -9.4946 -9.4946 -1.2921 -1.2921 -1.2858 -1.2858 2.9850 2.9850 2.9903 2.9903 4.3966 4.3966 4.3983 4.3983 4.7096 4.7096 4.7158 4.7158 6.0147 6.0147 6.0228 6.0228 6.0963 6.0963 6.1218 6.1218 8.8042 8.8042 8.8488 8.8488 10.0283 10.0283 10.0367 10.0367 k = 0.1333 0.5000-0.0000 ( 3936 PWs) bands (ev): -9.4945 -9.4945 -9.4945 -9.4945 -1.2624 -1.2624 -1.2556 -1.2556 3.0034 3.0034 3.0091 3.0091 4.3929 4.3929 4.3945 4.3945 4.7081 4.7081 4.7145 4.7145 5.9094 5.9094 5.9215 5.9215 6.0523 6.0523 6.0567 6.0567 8.8847 8.8847 8.9290 8.9290 9.9918 9.9918 9.9999 9.9999 k = 0.1444 0.5000-0.0000 ( 3928 PWs) bands (ev): -9.4945 -9.4945 -9.4945 -9.4945 -1.2303 -1.2303 -1.2229 -1.2229 3.0226 3.0226 3.0287 3.0287 4.3898 4.3898 4.3913 4.3913 4.7057 4.7057 4.7123 4.7123 5.7668 5.7668 5.7846 5.7846 6.0335 6.0335 6.0359 6.0359 8.9634 8.9634 9.0069 9.0069 9.9566 9.9566 9.9642 9.9642 k = 0.1556 0.5000-0.0000 ( 3924 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.1956 -1.1956 -1.1877 -1.1877 3.0426 3.0426 3.0490 3.0490 4.3874 4.3874 4.3887 4.3887 4.7025 4.7025 4.7092 4.7092 5.6202 5.6202 5.6398 5.6398 6.0170 6.0170 6.0219 6.0219 9.0402 9.0402 9.0825 9.0825 9.9227 9.9227 9.9295 9.9295 k = 0.1667 0.5000-0.0000 ( 3936 PWs) bands (ev): -9.4943 -9.4943 -9.4943 -9.4943 -1.1583 -1.1583 -1.1500 -1.1500 3.0632 3.0632 3.0699 3.0699 4.3856 4.3856 4.3868 4.3868 4.6984 4.6984 4.7051 4.7051 5.4726 5.4726 5.4929 5.4929 6.0017 6.0017 6.0081 6.0081 9.1154 9.1154 9.1562 9.1562 9.8901 9.8901 9.8960 9.8960 k = 0.1778 0.5000-0.0000 ( 3948 PWs) bands (ev): -9.4943 -9.4943 -9.4943 -9.4943 -1.1186 -1.1186 -1.1098 -1.1098 3.0841 3.0841 3.0911 3.0911 4.3844 4.3844 4.3855 4.3855 4.6934 4.6934 4.7001 4.7001 5.3249 5.3249 5.3456 5.3456 5.9864 5.9864 5.9941 5.9941 9.1892 9.1892 9.2280 9.2280 9.8591 9.8591 9.8637 9.8637 k = 0.1889 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4942 -9.4942 -9.4942 -9.4942 -1.0765 -1.0765 -1.0672 -1.0672 3.1053 3.1053 3.1125 3.1125 4.3834 4.3834 4.3846 4.3846 4.6874 4.6874 4.6941 4.6941 5.1779 5.1779 5.1989 5.1989 5.9711 5.9711 5.9796 5.9796 9.2618 9.2618 9.2979 9.2979 9.8297 9.8297 9.8326 9.8326 k = 0.2000 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4941 -9.4941 -9.4941 -9.4941 -1.0318 -1.0318 -1.0221 -1.0221 3.1265 3.1265 3.1340 3.1340 4.3821 4.3821 4.3833 4.3833 4.6804 4.6804 4.6871 4.6871 5.0324 5.0324 5.0539 5.0539 5.9554 5.9554 5.9648 5.9648 9.3333 9.3333 9.3662 9.3662 9.8020 9.8020 9.8029 9.8030 k = 0.2111 0.5000-0.0000 ( 3960 PWs) bands (ev): -9.4941 -9.4941 -9.4941 -9.4941 -0.9848 -0.9848 -0.9747 -0.9747 3.1477 3.1477 3.1553 3.1553 4.3790 4.3790 4.3805 4.3805 4.6725 4.6725 4.6792 4.6792 4.8902 4.8902 4.9122 4.9122 5.9395 5.9395 5.9497 5.9497 9.4038 9.4038 9.4324 9.4324 9.7747 9.7747 9.7766 9.7766 k = 0.2222 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4940 -9.4940 -9.4940 -9.4940 -0.9354 -0.9354 -0.9248 -0.9248 3.1686 3.1686 3.1763 3.1763 4.3710 4.3710 4.3728 4.3728 4.6632 4.6632 4.6703 4.6703 4.7552 4.7552 4.7774 4.7774 5.9235 5.9235 5.9344 5.9344 9.4735 9.4735 9.4961 9.4961 9.7480 9.7480 9.7541 9.7541 k = 0.2333 0.5000-0.0000 ( 3956 PWs) bands (ev): -9.4939 -9.4939 -9.4939 -9.4939 -0.8835 -0.8835 -0.8726 -0.8726 3.1892 3.1892 3.1970 3.1970 4.3499 4.3499 4.3515 4.3515 4.6293 4.6293 4.6518 4.6518 4.6596 4.6596 4.6663 4.6663 5.9074 5.9074 5.9189 5.9189 9.5419 9.5419 9.5550 9.5550 9.7234 9.7234 9.7369 9.7369 k = 0.2444 0.5000-0.0000 ( 3948 PWs) bands (ev): -9.4939 -9.4939 -9.4938 -9.4938 -0.8294 -0.8294 -0.8181 -0.8181 3.2092 3.2092 3.2171 3.2171 4.2974 4.2974 4.2986 4.2986 4.5473 4.5473 4.5686 4.5686 4.6462 4.6462 4.6515 4.6515 5.8913 5.8913 5.9034 5.9034 9.6022 9.6022 9.6071 9.6071 9.7029 9.7029 9.7320 9.7320 k = 0.2556 0.5000-0.0000 ( 3944 PWs) bands (ev): -9.4938 -9.4938 -9.4938 -9.4938 -0.7730 -0.7730 -0.7613 -0.7613 3.2287 3.2287 3.2366 3.2366 4.1997 4.1997 4.2060 4.2060 4.5080 4.5080 4.5244 4.5244 4.6352 4.6352 4.6404 4.6404 5.8753 5.8753 5.8880 5.8880 9.6239 9.6239 9.6501 9.6501 9.7055 9.7055 9.7531 9.7531 k = 0.2667 0.5000-0.0000 ( 3944 PWs) bands (ev): -9.4937 -9.4937 -9.4937 -9.4937 -0.7144 -0.7144 -0.7023 -0.7023 3.2475 3.2475 3.2554 3.2554 4.0762 4.0762 4.0862 4.0862 4.4963 4.4963 4.5095 4.5095 4.6239 4.6239 4.6289 4.6289 5.8596 5.8596 5.8728 5.8728 9.6214 9.6214 9.6427 9.6427 9.7595 9.7595 9.7991 9.7991 k = 0.2778 0.5000-0.0000 ( 3940 PWs) bands (ev): -9.4937 -9.4937 -9.4937 -9.4937 -0.6535 -0.6535 -0.6412 -0.6412 3.2655 3.2655 3.2734 3.2734 3.9431 3.9431 3.9550 3.9550 4.4964 4.4964 4.5080 4.5080 4.6123 4.6123 4.6170 4.6170 5.8442 5.8442 5.8579 5.8579 9.6094 9.6094 9.6249 9.6249 9.8249 9.8249 9.8552 9.8552 k = 0.2889 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4936 -9.4936 -9.4936 -9.4936 -0.5906 -0.5906 -0.5779 -0.5779 3.2827 3.2827 3.2906 3.2906 3.8067 3.8067 3.8197 3.8197 4.5018 4.5018 4.5127 4.5127 4.6004 4.6004 4.6048 4.6048 5.8294 5.8294 5.8435 5.8435 9.5946 9.5946 9.6067 9.6067 9.8914 9.8914 9.9143 9.9143 k = 0.3000 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4936 -9.4936 -9.4936 -9.4936 -0.5256 -0.5256 -0.5127 -0.5127 3.2988 3.2988 3.3069 3.3069 3.6699 3.6699 3.6832 3.6832 4.5098 4.5098 4.5205 4.5205 4.5885 4.5885 4.5925 4.5925 5.8152 5.8152 5.8296 5.8296 9.5795 9.5795 9.5892 9.5892 9.9577 9.9577 9.9740 9.9740 k = 0.3111 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4935 -9.4935 -9.4935 -9.4935 -0.4586 -0.4586 -0.4454 -0.4454 3.3136 3.3136 3.3222 3.3222 3.5341 3.5341 3.5472 3.5472 4.5190 4.5190 4.5297 4.5297 4.5767 4.5767 4.5803 4.5803 5.8018 5.8018 5.8164 5.8164 9.5648 9.5648 9.5728 9.5728 10.0232 10.0232 10.0332 10.0332 k = 0.3222 0.5000-0.0000 ( 3938 PWs) bands (ev): -9.4935 -9.4935 -9.4935 -9.4935 -0.3898 -0.3898 -0.3764 -0.3764 3.3237 3.3237 3.3357 3.3357 3.4035 3.4035 3.4132 3.4132 4.5281 4.5281 4.5387 4.5387 4.5660 4.5660 4.5692 4.5692 5.7893 5.7893 5.8040 5.8040 9.5508 9.5508 9.5576 9.5576 10.0874 10.0874 10.0912 10.0912 k = 0.3333 0.5000-0.0000 ( 3934 PWs) bands (ev): -9.4934 -9.4934 -9.4934 -9.4934 -0.3192 -0.3192 -0.3057 -0.3057 3.2563 3.2563 3.2757 3.2757 3.3512 3.3512 3.3534 3.3534 4.5337 4.5337 4.5429 4.5429 4.5590 4.5590 4.5633 4.5633 5.7778 5.7778 5.7925 5.7925 9.5377 9.5377 9.5435 9.5435 10.1474 10.1474 10.1498 10.1498 k = 0.3444 0.5000-0.0000 ( 3920 PWs) bands (ev): -9.4934 -9.4934 -9.4934 -9.4934 -0.2470 -0.2470 -0.2333 -0.2333 3.1281 3.1281 3.1452 3.1452 3.3608 3.3608 3.3652 3.3652 4.5303 4.5303 4.5362 4.5362 4.5613 4.5613 4.5686 4.5686 5.7673 5.7673 5.7819 5.7819 9.5255 9.5255 9.5305 9.5305 10.2015 10.2015 10.2098 10.2098 k = 0.3556 0.5000-0.0000 ( 3920 PWs) bands (ev): -9.4933 -9.4933 -9.4933 -9.4933 -0.1735 -0.1735 -0.1597 -0.1597 2.9995 2.9995 3.0159 3.0159 3.3725 3.3725 3.3771 3.3771 4.5209 4.5209 4.5253 4.5253 4.5695 4.5695 4.5779 4.5779 5.7580 5.7580 5.7723 5.7723 9.5143 9.5143 9.5186 9.5186 10.2528 10.2528 10.2670 10.2670 k = 0.3667 0.5000-0.0000 ( 3920 PWs) bands (ev): -9.4933 -9.4933 -9.4933 -9.4933 -0.0987 -0.0987 -0.0849 -0.0849 2.8731 2.8731 2.8892 2.8892 3.3838 3.3838 3.3883 3.3883 4.5103 4.5103 4.5139 4.5139 4.5790 4.5790 4.5876 4.5876 5.7498 5.7498 5.7638 5.7638 9.5041 9.5041 9.5078 9.5078 10.3012 10.3012 10.3208 10.3208 k = 0.3778 0.5000-0.0000 ( 3924 PWs) bands (ev): -9.4933 -9.4933 -9.4933 -9.4933 -0.0230 -0.0230 -0.0092 -0.0092 2.7497 2.7497 2.7655 2.7655 3.3944 3.3944 3.3988 3.3988 4.4996 4.4996 4.5026 4.5026 4.5883 4.5883 4.5969 4.5969 5.7428 5.7428 5.7562 5.7562 9.4949 9.4949 9.4981 9.4981 10.3462 10.3462 10.3706 10.3706 k = 0.3889 0.5000-0.0000 ( 3922 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 0.0532 0.0532 0.0669 0.0669 2.6297 2.6297 2.6452 2.6452 3.4043 3.4043 3.4084 3.4084 4.4892 4.4892 4.4919 4.4919 4.5971 4.5971 4.6055 4.6055 5.7370 5.7370 5.7497 5.7497 9.4865 9.4865 9.4893 9.4893 10.3878 10.3878 10.4160 10.4160 k = 0.4000 0.5000-0.0000 ( 3926 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 0.1294 0.1294 0.1429 0.1429 2.5138 2.5138 2.5289 2.5289 3.4134 3.4134 3.4172 3.4172 4.4794 4.4794 4.4817 4.4817 4.6052 4.6052 4.6132 4.6132 5.7322 5.7322 5.7441 5.7441 9.4791 9.4791 9.4815 9.4815 10.4260 10.4260 10.4570 10.4570 k = 0.4111 0.5000-0.0000 ( 3926 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 0.2051 0.2051 0.2183 0.2183 2.4027 2.4027 2.4173 2.4173 3.4217 3.4217 3.4251 3.4251 4.4703 4.4703 4.4723 4.4723 4.6125 4.6125 4.6199 4.6199 5.7284 5.7284 5.7394 5.7394 9.4726 9.4726 9.4747 9.4747 10.4607 10.4607 10.4936 10.4936 k = 0.4222 0.5000-0.0000 ( 3930 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 0.2793 0.2793 0.2921 0.2921 2.2973 2.2973 2.3112 2.3112 3.4291 3.4291 3.4321 3.4321 4.4621 4.4621 4.4637 4.4637 4.6190 4.6190 4.6257 4.6257 5.7256 5.7256 5.7355 5.7355 9.4669 9.4669 9.4687 9.4687 10.4923 10.4923 10.5257 10.5257 k = 0.4333 0.5000-0.0000 ( 3938 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 0.3511 0.3511 0.3631 0.3631 2.1988 2.1988 2.2119 2.2119 3.4357 3.4357 3.4383 3.4383 4.4547 4.4547 4.4561 4.4561 4.6245 4.6245 4.6305 4.6305 5.7235 5.7235 5.7323 5.7323 9.4621 9.4621 9.4636 9.4636 10.5208 10.5208 10.5537 10.5537 k = 0.4444 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4932 -9.4932 -9.4931 -9.4931 0.4188 0.4188 0.4298 0.4298 2.1088 2.1088 2.1207 2.1207 3.4413 3.4413 3.4435 3.4435 4.4483 4.4483 4.4495 4.4495 4.6293 4.6293 4.6344 4.6344 5.7222 5.7222 5.7297 5.7297 9.4581 9.4581 9.4593 9.4593 10.5463 10.5463 10.5776 10.5776 k = 0.4556 0.5000-0.0000 ( 3942 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.4805 0.4805 0.4903 0.4903 2.0294 2.0294 2.0397 2.0397 3.4460 3.4460 3.4478 3.4478 4.4430 4.4430 4.4439 4.4439 4.6332 4.6332 4.6374 4.6374 5.7215 5.7215 5.7275 5.7275 9.4548 9.4548 9.4558 9.4558 10.5689 10.5689 10.5973 10.5973 k = 0.4667 0.5000-0.0000 ( 3930 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.5338 0.5338 0.5418 0.5418 1.9630 1.9630 1.9715 1.9715 3.4497 3.4497 3.4511 3.4511 4.4389 4.4389 4.4395 4.4395 4.6363 4.6363 4.6395 4.6395 5.7212 5.7212 5.7258 5.7258 9.4524 9.4524 9.4531 9.4531 10.5885 10.5885 10.6124 10.6124 k = 0.4778 0.5000-0.0000 ( 3924 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.5757 0.5757 0.5814 0.5814 1.9129 1.9129 1.9189 1.9189 3.4525 3.4525 3.4534 3.4534 4.4359 4.4359 4.4363 4.4363 4.6386 4.6386 4.6408 4.6408 5.7213 5.7213 5.7244 5.7244 9.4506 9.4506 9.4511 9.4511 10.6048 10.6048 10.6223 10.6223 k = 0.4889 0.5000-0.0000 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6031 0.6031 0.6061 0.6061 1.8819 1.8819 1.8850 1.8850 3.4542 3.4542 3.4547 3.4547 4.4342 4.4342 4.4344 4.4344 4.6403 4.6403 4.6414 4.6414 5.7217 5.7217 5.7232 5.7232 9.4496 9.4496 9.4499 9.4499 10.6170 10.6170 10.6265 10.6265 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6136 0.6136 0.6136 0.6136 1.8723 1.8723 1.8723 1.8723 3.4550 3.4550 3.4550 3.4550 4.4336 4.4336 4.4336 4.4336 4.6412 4.6412 4.6412 4.6412 5.7223 5.7223 5.7223 5.7223 9.4494 9.4494 9.4494 9.4494 10.6246 10.6246 10.6246 10.6246 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6136 0.6136 0.6136 0.6136 1.8723 1.8723 1.8723 1.8723 3.4550 3.4550 3.4550 3.4550 4.4336 4.4336 4.4336 4.4336 4.6412 4.6412 4.6412 4.6412 5.7223 5.7223 5.7223 5.7223 9.4494 9.4494 9.4494 9.4494 10.6246 10.6246 10.6246 10.6246 k = 0.4922 0.4922-0.0000 ( 3916 PWs) bands (ev): -9.4932 -9.4932 -9.4930 -9.4930 0.5945 0.5945 0.6150 0.6150 1.8732 1.8732 1.8932 1.8932 3.4535 3.4535 3.4554 3.4554 4.4330 4.4330 4.4355 4.4355 4.6401 4.6401 4.6415 4.6415 5.7215 5.7215 5.7234 5.7234 9.4496 9.4496 9.4500 9.4500 10.6166 10.6166 10.6270 10.6270 k = 0.4844 0.4844-0.0000 ( 3924 PWs) bands (ev): -9.4936 -9.4936 -9.4926 -9.4926 0.5412 0.5412 0.6188 0.6188 1.8763 1.8763 1.9523 1.9523 3.4494 3.4494 3.4566 3.4566 4.4311 4.4311 4.4410 4.4410 4.6375 4.6375 4.6420 4.6420 5.7204 5.7204 5.7253 5.7253 9.4501 9.4501 9.4516 9.4516 10.6022 10.6022 10.6264 10.6264 k = 0.4766 0.4766-0.0000 ( 3930 PWs) bands (ev): -9.4942 -9.4942 -9.4921 -9.4921 0.4611 0.4611 0.6253 0.6253 1.8814 1.8814 2.0418 2.0418 3.4427 3.4427 3.4586 3.4586 4.4279 4.4279 4.4499 4.4499 4.6333 4.6333 4.6426 4.6426 5.7188 5.7188 5.7283 5.7283 9.4511 9.4511 9.4542 9.4542 10.5827 10.5827 10.6238 10.6238 k = 0.4688 0.4687-0.0000 ( 3928 PWs) bands (ev): -9.4951 -9.4951 -9.4912 -9.4912 0.3625 0.3625 0.6343 0.6343 1.8887 1.8887 2.1537 2.1537 3.4338 3.4338 3.4614 3.4614 4.4233 4.4233 4.4619 4.4619 4.6272 4.6272 4.6434 4.6434 5.7170 5.7170 5.7326 5.7326 9.4524 9.4524 9.4579 9.4579 10.5599 10.5599 10.6197 10.6197 k = 0.4609 0.4609-0.0000 ( 3930 PWs) bands (ev): -9.4962 -9.4962 -9.4902 -9.4902 0.2518 0.2518 0.6459 0.6459 1.8979 1.8979 2.2815 2.2815 3.4231 3.4231 3.4650 3.4650 4.4173 4.4173 4.4763 4.4763 4.6193 4.6193 4.6445 4.6445 5.7153 5.7153 5.7380 5.7380 9.4541 9.4541 9.4627 9.4627 10.5355 10.5355 10.6140 10.6140 k = 0.4531 0.4531-0.0000 ( 3934 PWs) bands (ev): -9.4975 -9.4975 -9.4890 -9.4890 0.1334 0.1334 0.6600 0.6600 1.9093 1.9093 2.4206 2.4206 3.4111 3.4111 3.4695 3.4695 4.4095 4.4095 4.4928 4.4928 4.6097 4.6097 4.6458 4.6458 5.7141 5.7141 5.7447 5.7447 9.4561 9.4561 9.4686 9.4686 10.5103 10.5103 10.6065 10.6065 k = 0.4453 0.4453-0.0000 ( 3934 PWs) bands (ev): -9.4991 -9.4991 -9.4875 -9.4875 0.0103 0.0103 0.6767 0.6767 1.9227 1.9227 2.5682 2.5682 3.3981 3.3981 3.4747 3.4747 4.3996 4.3996 4.5107 4.5107 4.5987 4.5987 4.6474 4.6474 5.7137 5.7137 5.7526 5.7526 9.4583 9.4583 9.4755 9.4755 10.4853 10.4853 10.5969 10.5969 k = 0.4375 0.4375-0.0000 ( 3930 PWs) bands (ev): -9.5010 -9.5010 -9.4859 -9.4859 -0.1155 -0.1155 0.6960 0.6960 1.9382 1.9382 2.7222 2.7222 3.3847 3.3847 3.4807 3.4807 4.3870 4.3870 4.5293 4.5293 4.5868 4.5868 4.6492 4.6492 5.7145 5.7145 5.7618 5.7618 9.4607 9.4607 9.4835 9.4835 10.4612 10.4612 10.5849 10.5849 k = 0.4297 0.4297-0.0000 ( 3926 PWs) bands (ev): -9.5031 -9.5031 -9.4841 -9.4841 -0.2427 -0.2427 0.7178 0.7178 1.9559 1.9559 2.8812 2.8812 3.3713 3.3713 3.4876 3.4876 4.3711 4.3711 4.5474 4.5474 4.5754 4.5754 4.6513 4.6513 5.7169 5.7169 5.7722 5.7722 9.4632 9.4632 9.4927 9.4927 10.4384 10.4384 10.5693 10.5694 k = 0.4219 0.4219-0.0000 ( 3920 PWs) bands (ev): -9.5056 -9.5056 -9.4821 -9.4821 -0.3703 -0.3703 0.7422 0.7422 1.9756 1.9756 3.0441 3.0441 3.3584 3.3584 3.4953 3.4953 4.3511 4.3511 4.5568 4.5568 4.5731 4.5731 4.6536 4.6536 5.7211 5.7211 5.7840 5.7840 9.4658 9.4658 9.5029 9.5029 10.4176 10.4176 10.5476 10.5476 k = 0.4141 0.4141-0.0000 ( 3930 PWs) bands (ev): -9.5083 -9.5083 -9.4801 -9.4801 -0.4977 -0.4977 0.7691 0.7691 1.9974 1.9974 3.2100 3.2100 3.3466 3.3466 3.5038 3.5038 4.3261 4.3261 4.5493 4.5493 4.5883 4.5883 4.6562 4.6562 5.7271 5.7271 5.7970 5.7970 9.4682 9.4682 9.5144 9.5144 10.3991 10.3991 10.5129 10.5129 k = 0.4062 0.4062-0.0000 ( 3938 PWs) bands (ev): -9.5113 -9.5113 -9.4778 -9.4778 -0.6245 -0.6245 0.7986 0.7986 2.0214 2.0214 3.3319 3.3319 3.3827 3.3827 3.5134 3.5134 4.2959 4.2959 4.5415 4.5415 4.6048 4.6048 4.6591 4.6591 5.7352 5.7352 5.8113 5.8113 9.4704 9.4704 9.5269 9.5269 10.3831 10.3831 10.4630 10.4630 k = 0.3984 0.3984-0.0000 ( 3938 PWs) bands (ev): -9.5146 -9.5146 -9.4755 -9.4755 -0.7502 -0.7502 0.8306 0.8306 2.0475 2.0475 3.3241 3.3241 3.5209 3.5209 3.5549 3.5549 4.2603 4.2603 4.5357 4.5357 4.6200 4.6200 4.6623 4.6623 5.7452 5.7452 5.8269 5.8269 9.4722 9.4722 9.5407 9.5407 10.3671 10.3671 10.4066 10.4066 k = 0.3906 0.3906-0.0000 ( 3942 PWs) bands (ev): -9.5182 -9.5182 -9.4731 -9.4731 -0.8747 -0.8747 0.8651 0.8651 2.0757 2.0757 3.3162 3.3162 3.5335 3.5335 3.7267 3.7267 4.2199 4.2199 4.5322 4.5322 4.6333 4.6333 4.6660 4.6660 5.7571 5.7571 5.8438 5.8438 9.4734 9.4734 9.5556 9.5556 10.3264 10.3264 10.3725 10.3726 k = 0.3828 0.3828-0.0000 ( 3942 PWs) bands (ev): -9.5222 -9.5222 -9.4707 -9.4707 -0.9976 -0.9976 0.9021 0.9021 2.1062 2.1062 3.3101 3.3101 3.5454 3.5454 3.9019 3.9019 4.1750 4.1750 4.5312 4.5312 4.6443 4.6443 4.6701 4.6701 5.7707 5.7707 5.8619 5.8619 9.4738 9.4738 9.5717 9.5717 10.2585 10.2585 10.3648 10.3648 k = 0.3750 0.3750-0.0000 ( 3938 PWs) bands (ev): -9.5264 -9.5264 -9.4681 -9.4681 -1.1189 -1.1189 0.9416 0.9416 2.1387 2.1387 3.3060 3.3060 3.5580 3.5580 4.0781 4.0781 4.1266 4.1266 4.5322 4.5322 4.6532 4.6532 4.6745 4.6745 5.7859 5.7859 5.8813 5.8813 9.4734 9.4734 9.5890 9.5890 10.1842 10.1842 10.3626 10.3626 k = 0.3672 0.3672-0.0000 ( 3940 PWs) bands (ev): -9.5310 -9.5310 -9.4656 -9.4656 -1.2384 -1.2384 0.9835 0.9835 2.1735 2.1735 3.3041 3.3041 3.5714 3.5714 4.0744 4.0744 4.2556 4.2556 4.5353 4.5353 4.6603 4.6603 4.6791 4.6791 5.8024 5.8024 5.9019 5.9019 9.4720 9.4720 9.6073 9.6073 10.1062 10.1062 10.3548 10.3549 k = 0.3594 0.3594-0.0000 ( 3946 PWs) bands (ev): -9.5359 -9.5359 -9.4631 -9.4631 -1.3560 -1.3560 1.0280 1.0280 2.2104 2.2104 3.3046 3.3046 3.5855 3.5855 4.0201 4.0201 4.4308 4.4308 4.5404 4.5404 4.6675 4.6675 4.6836 4.6836 5.8200 5.8200 5.9237 5.9237 9.4695 9.4695 9.6266 9.6266 10.0253 10.0253 10.2989 10.2989 k = 0.3516 0.3516-0.0000 ( 3946 PWs) bands (ev): -9.5412 -9.5412 -9.4606 -9.4606 -1.4716 -1.4716 1.0749 1.0749 2.2495 2.2495 3.3077 3.3077 3.6005 3.6005 3.9640 3.9640 4.5442 4.5442 4.5916 4.5916 4.6822 4.6822 4.6965 4.6965 5.8385 5.8385 5.9467 5.9467 9.4660 9.4660 9.6465 9.6465 9.9425 9.9425 10.2385 10.2385 k = 0.3438 0.3437-0.0000 ( 3950 PWs) bands (ev): -9.5468 -9.5468 -9.4582 -9.4582 -1.5851 -1.5851 1.1242 1.1242 2.2908 2.2908 3.3133 3.3133 3.6163 3.6163 3.9065 3.9065 4.5531 4.5531 4.6444 4.6444 4.6891 4.6891 4.8194 4.8194 5.8577 5.8577 5.9707 5.9707 9.4615 9.4615 9.6657 9.6657 9.8589 9.8589 10.1757 10.1757 k = 0.3359 0.3359-0.0000 ( 3956 PWs) bands (ev): -9.5527 -9.5527 -9.4559 -9.4559 -1.6964 -1.6964 1.1760 1.1760 2.3343 2.3343 3.3216 3.3216 3.6328 3.6328 3.8481 3.8481 4.5622 4.5622 4.6473 4.6473 4.6933 4.6933 4.9938 4.9938 5.8773 5.8773 5.9958 5.9958 9.4560 9.4560 9.6787 9.6787 9.7804 9.7804 10.1116 10.1116 k = 0.3281 0.3281-0.0000 ( 3952 PWs) bands (ev): -9.5590 -9.5590 -9.4536 -9.4536 -1.8056 -1.8056 1.2302 1.2302 2.3799 2.3799 3.3327 3.3327 3.6500 3.6500 3.7895 3.7895 4.5723 4.5723 4.6423 4.6423 4.6979 4.6979 5.1737 5.1737 5.8972 5.8972 6.0218 6.0218 9.4498 9.4498 9.6500 9.6500 9.7421 9.7421 10.0469 10.0469 k = 0.3203 0.3203-0.0000 ( 3958 PWs) bands (ev): -9.5656 -9.5656 -9.4515 -9.4515 -1.9125 -1.9125 1.2868 1.2868 2.4277 2.4277 3.3466 3.3466 3.6673 3.6673 3.7316 3.7316 4.5834 4.5834 4.6332 4.6332 4.7030 4.7030 5.3548 5.3548 5.9172 5.9172 6.0487 6.0487 9.4427 9.4427 9.5712 9.5712 9.7517 9.7517 9.9823 9.9823 k = 0.3125 0.3125-0.0000 ( 3958 PWs) bands (ev): -9.5725 -9.5725 -9.4495 -9.4495 -2.0171 -2.0171 1.3457 1.3457 2.4777 2.4777 3.3632 3.3632 3.6657 3.6657 3.6937 3.6937 4.5952 4.5952 4.6210 4.6210 4.7086 4.7086 5.5360 5.5360 5.9371 5.9371 6.0763 6.0763 9.4331 9.4331 9.4838 9.4838 9.7672 9.7672 9.9189 9.9189 k = 0.3047 0.3047-0.0000 ( 3958 PWs) bands (ev): -9.5798 -9.5798 -9.4476 -9.4476 -2.1193 -2.1193 1.4070 1.4070 2.5297 2.5297 3.3826 3.3826 3.6119 3.6119 3.7096 3.7096 4.6045 4.6045 4.6093 4.6093 4.7149 4.7149 5.7167 5.7167 5.9569 5.9569 6.1047 6.1047 9.3815 9.3815 9.4349 9.4349 9.7741 9.7741 9.8595 9.8595 k = 0.2969 0.2969-0.0000 ( 3958 PWs) bands (ev): -9.5873 -9.5873 -9.4459 -9.4459 -2.2192 -2.2192 1.4706 1.4706 2.5837 2.5837 3.4047 3.4047 3.5557 3.5557 3.7298 3.7298 4.5883 4.5883 4.6215 4.6215 4.7216 4.7216 5.8961 5.8961 5.9765 5.9765 6.1337 6.1337 9.2886 9.2886 9.4255 9.4255 9.7532 9.7532 9.8127 9.8127 k = 0.2891 0.2891-0.0000 ( 3955 PWs) bands (ev): -9.5952 -9.5952 -9.4444 -9.4444 -2.3167 -2.3167 1.5365 1.5365 2.6397 2.6397 3.4293 3.4293 3.5006 3.5006 3.7511 3.7511 4.5689 4.5689 4.6351 4.6351 4.7290 4.7290 5.9949 5.9949 6.0739 6.0739 6.1642 6.1642 9.1922 9.1922 9.4185 9.4185 9.7022 9.7022 9.7706 9.7706 k = 0.2812 0.2812-0.0000 ( 3951 PWs) bands (ev): -9.6034 -9.6034 -9.4431 -9.4431 -2.4118 -2.4118 1.6047 1.6047 2.6974 2.6974 3.4450 3.4450 3.4587 3.4587 3.7734 3.7734 4.5479 4.5479 4.6490 4.6490 4.7370 4.7370 6.0135 6.0135 6.1877 6.1877 6.2562 6.2562 9.0943 9.0943 9.4122 9.4122 9.6423 9.6423 9.7166 9.7166 k = 0.2734 0.2734-0.0000 ( 3949 PWs) bands (ev): -9.6119 -9.6119 -9.4420 -9.4420 -2.5043 -2.5043 1.6752 1.6752 2.7567 2.7567 3.3953 3.3953 3.4869 3.4869 3.7965 3.7965 4.5256 4.5256 4.6631 4.6631 4.7457 4.7457 6.0315 6.0315 6.2192 6.2192 6.4285 6.4285 8.9952 8.9952 9.4060 9.4060 9.5814 9.5814 9.6536 9.6536 k = 0.2656 0.2656-0.0000 ( 3949 PWs) bands (ev): -9.6206 -9.6206 -9.4411 -9.4411 -2.5945 -2.5945 1.7479 1.7479 2.8170 2.8170 3.3469 3.3469 3.5187 3.5187 3.8204 3.8204 4.5024 4.5024 4.6772 4.6772 4.7550 4.7550 6.0488 6.0488 6.2486 6.2486 6.5998 6.5998 8.8951 8.8951 9.3988 9.3988 9.5225 9.5225 9.5862 9.5862 k = 0.2578 0.2578-0.0000 ( 3949 PWs) bands (ev): -9.6296 -9.6296 -9.4404 -9.4404 -2.6821 -2.6821 1.8227 1.8227 2.8773 2.8773 3.3023 3.3023 3.5526 3.5526 3.8450 3.8450 4.4787 4.4787 4.6910 4.6910 4.7651 4.7651 6.0653 6.0653 6.2773 6.2773 6.7679 6.7679 8.7942 8.7942 9.3857 9.3857 9.4704 9.4704 9.5176 9.5176 k = 0.2500 0.2500-0.0000 ( 3951 PWs) bands (ev): -9.6388 -9.6388 -9.4400 -9.4400 -2.7672 -2.7672 1.8998 1.8998 2.9358 2.9358 3.2637 3.2637 3.5881 3.5881 3.8705 3.8705 4.4550 4.4550 4.7046 4.7046 4.7759 4.7759 6.0812 6.0812 6.3053 6.3053 6.9320 6.9320 8.6925 8.6925 9.3540 9.3540 9.4329 9.4329 9.4545 9.4545 k = 0.2422 0.2422-0.0000 ( 3951 PWs) bands (ev): -9.6482 -9.6482 -9.4398 -9.4398 -2.8497 -2.8497 1.9789 1.9789 2.9876 2.9876 3.2361 3.2361 3.6248 3.6248 3.8966 3.8966 4.4320 4.4320 4.7176 4.7176 4.7875 4.7875 6.0963 6.0963 6.3324 6.3324 7.0914 7.0914 8.5901 8.5901 9.3015 9.3015 9.3768 9.3768 9.4339 9.4339 k = 0.2344 0.2344-0.0000 ( 3939 PWs) bands (ev): -9.6578 -9.6578 -9.4398 -9.4398 -2.9297 -2.9297 2.0602 2.0602 3.0220 3.0220 3.2301 3.2301 3.6621 3.6621 3.9234 3.9234 4.4104 4.4104 4.7300 4.7300 4.7999 4.7999 6.1106 6.1106 6.3582 6.3582 7.2452 7.2452 8.4872 8.4872 9.2392 9.2392 9.3146 9.3146 9.4333 9.4333 k = 0.2266 0.2266-0.0000 ( 3933 PWs) bands (ev): -9.6676 -9.6676 -9.4400 -9.4400 -3.0071 -3.0071 2.1435 2.1435 3.0282 3.0282 3.2564 3.2564 3.6992 3.6992 3.9510 3.9510 4.3909 4.3909 4.7415 4.7415 4.8132 4.8132 6.1240 6.1240 6.3827 6.3827 7.3927 7.3927 8.3836 8.3836 9.1724 9.1724 9.2563 9.2563 9.4381 9.4381 k = 0.2188 0.2187-0.0000 ( 3937 PWs) bands (ev): -9.6774 -9.6774 -9.4405 -9.4405 -3.0820 -3.0820 2.2289 2.2289 3.0126 3.0126 3.3089 3.3089 3.7351 3.7351 3.9791 3.9791 4.3749 4.3749 4.7522 4.7522 4.8272 4.8272 6.1366 6.1366 6.4054 6.4054 7.5330 7.5330 8.2796 8.2796 9.1032 9.1032 9.2026 9.2026 9.4459 9.4460 k = 0.2109 0.2109-0.0000 ( 3953 PWs) bands (ev): -9.6874 -9.6874 -9.4412 -9.4412 -3.1543 -3.1543 2.3162 2.3162 2.9877 2.9877 3.3750 3.3750 3.7685 3.7685 4.0079 4.0079 4.3635 4.3635 4.7618 4.7618 4.8422 4.8422 6.1483 6.1483 6.4260 6.4260 7.6655 7.6655 8.1752 8.1752 9.0332 9.0332 9.1531 9.1531 9.4558 9.4558 k = 0.2031 0.2031-0.0000 ( 3959 PWs) bands (ev): -9.6974 -9.6974 -9.4421 -9.4421 -3.2239 -3.2239 2.4054 2.4054 2.9598 2.9598 3.4480 3.4480 3.7980 3.7980 4.0372 4.0372 4.3583 4.3583 4.7701 4.7701 4.8580 4.8580 6.1591 6.1591 6.4444 6.4444 7.7892 7.7892 8.0706 8.0706 8.9634 8.9634 9.1078 9.1078 9.4661 9.4661 k = 0.1953 0.1953-0.0000 ( 3969 PWs) bands (ev): -9.7074 -9.7074 -9.4432 -9.4432 -3.2910 -3.2910 2.4966 2.4966 2.9319 2.9319 3.5253 3.5253 3.8218 3.8218 4.0670 4.0670 4.3611 4.3611 4.7772 4.7772 4.8748 4.8748 6.1689 6.1689 6.4602 6.4602 7.9011 7.9011 7.9685 7.9685 8.8946 8.8946 9.0664 9.0664 9.4751 9.4751 k = 0.1875 0.1875-0.0000 ( 3965 PWs) bands (ev): -9.7175 -9.7175 -9.4445 -9.4445 -3.3554 -3.3554 2.5895 2.5895 2.9050 2.9050 3.6055 3.6055 3.8387 3.8387 4.0973 4.0973 4.3729 4.3729 4.7830 4.7830 4.8925 4.8925 6.1776 6.1776 6.4731 6.4731 7.8568 7.8568 8.0128 8.0128 8.8274 8.8274 9.0291 9.0291 9.4798 9.4798 k = 0.1797 0.1797-0.0000 ( 3967 PWs) bands (ev): -9.7275 -9.7275 -9.4460 -9.4460 -3.4173 -3.4173 2.6842 2.6842 2.8796 2.8796 3.6880 3.6880 3.8480 3.8480 4.1279 4.1279 4.3946 4.3946 4.7873 4.7873 4.9111 4.9111 6.1853 6.1853 6.4830 6.4830 7.7516 7.7516 8.1081 8.1081 8.7620 8.7620 8.9959 8.9959 9.4765 9.4765 k = 0.1719 0.1719-0.0000 ( 3971 PWs) bands (ev): -9.7374 -9.7374 -9.4476 -9.4476 -3.4765 -3.4765 2.7803 2.7803 2.8564 2.8564 3.7721 3.7721 3.8501 3.8501 4.1589 4.1589 4.4256 4.4256 4.7901 4.7901 4.9308 4.9308 6.1919 6.1919 6.4895 6.4895 7.6454 7.6454 8.1948 8.1948 8.6989 8.6989 8.9668 8.9668 9.4619 9.4619 k = 0.1641 0.1641-0.0000 ( 3973 PWs) bands (ev): -9.7472 -9.7472 -9.4493 -9.4493 -3.5331 -3.5331 2.8335 2.8335 2.8798 2.8798 3.8445 3.8445 3.8591 3.8591 4.1901 4.1901 4.4649 4.4649 4.7915 4.7915 4.9514 4.9514 6.1973 6.1973 6.4927 6.4927 7.5387 7.5387 8.2724 8.2724 8.6382 8.6382 8.9419 8.9419 9.4348 9.4348 k = 0.1562 0.1562-0.0000 ( 3977 PWs) bands (ev): -9.7568 -9.7568 -9.4512 -9.4512 -3.5870 -3.5870 2.8145 2.8145 2.9789 2.9789 3.8362 3.8362 3.9449 3.9449 4.2214 4.2214 4.5111 4.5111 4.7914 4.7914 4.9729 4.9729 6.2014 6.2014 6.4923 6.4923 7.4317 7.4317 8.3412 8.3412 8.5807 8.5807 8.9212 8.9212 9.3967 9.3967 k = 0.1484 0.1484-0.0000 ( 3977 PWs) bands (ev): -9.7663 -9.7663 -9.4532 -9.4532 -3.6383 -3.6383 2.7970 2.7970 3.0801 3.0801 3.8233 3.8233 4.0324 4.0324 4.2529 4.2529 4.5626 4.5626 4.7900 4.7900 4.9953 4.9953 6.2044 6.2044 6.4884 6.4884 7.3243 7.3243 8.3999 8.3999 8.5281 8.5281 8.9047 8.9047 9.3503 9.3503 k = 0.1406 0.1406-0.0000 ( 3987 PWs) bands (ev): -9.7756 -9.7756 -9.4553 -9.4553 -3.6870 -3.6870 2.7815 2.7815 3.1828 3.1828 3.8080 3.8080 4.1203 4.1203 4.2842 4.2842 4.6181 4.6181 4.7875 4.7875 5.0187 5.0187 6.2061 6.2061 6.4810 6.4810 7.2165 7.2165 8.4328 8.4328 8.4972 8.4972 8.8922 8.8922 9.2984 9.2984 k = 0.1328 0.1328-0.0000 ( 3987 PWs) bands (ev): -9.7845 -9.7845 -9.4574 -9.4574 -3.7330 -3.7330 2.7678 2.7678 3.2868 3.2868 3.7910 3.7910 4.2082 4.2082 4.3155 4.3155 4.6764 4.6764 4.7839 4.7839 5.0429 5.0429 6.2066 6.2066 6.4701 6.4701 7.1085 7.1085 8.4035 8.4035 8.5249 8.5249 8.8835 8.8835 9.2434 9.2434 k = 0.1250 0.1250-0.0000 ( 3987 PWs) bands (ev): -9.7932 -9.7932 -9.4595 -9.4595 -3.7764 -3.7764 2.7560 2.7560 3.3922 3.3922 3.7732 3.7732 4.2954 4.2954 4.3467 4.3467 4.7366 4.7366 4.7798 4.7798 5.0679 5.0679 6.2058 6.2058 6.4561 6.4561 7.0001 7.0001 8.3575 8.3575 8.5666 8.5666 8.8784 8.8784 9.1867 9.1867 k = 0.1172 0.1172-0.0000 ( 3995 PWs) bands (ev): -9.8016 -9.8016 -9.4617 -9.4617 -3.8172 -3.8172 2.7458 2.7458 3.4988 3.4988 3.7551 3.7551 4.3728 4.3728 4.3859 4.3859 4.7755 4.7755 4.7980 4.7980 5.0936 5.0936 6.2039 6.2039 6.4390 6.4390 6.8914 6.8914 8.3110 8.3110 8.6067 8.6067 8.8766 8.8766 9.1295 9.1295 k = 0.1094 0.1094-0.0000 ( 3995 PWs) bands (ev): -9.8096 -9.8096 -9.4638 -9.4638 -3.8553 -3.8553 2.7373 2.7373 3.6064 3.6064 3.7371 3.7371 4.4056 4.4056 4.4665 4.4665 4.7725 4.7725 4.8594 4.8594 5.1199 5.1199 6.2008 6.2008 6.4192 6.4192 6.7824 6.7824 8.2656 8.2656 8.6439 8.6439 8.8777 8.8777 9.0729 9.0729 k = 0.1016 0.1016-0.0000 ( 3987 PWs) bands (ev): -9.8172 -9.8172 -9.4660 -9.4660 -3.8908 -3.8908 2.7303 2.7303 3.7151 3.7151 3.7195 3.7195 4.4348 4.4348 4.5446 4.5446 4.7729 4.7729 4.9205 4.9205 5.1468 5.1468 6.1966 6.1966 6.3970 6.3970 6.6730 6.6730 8.2218 8.2218 8.6781 8.6781 8.8812 8.8812 9.0177 9.0177 k = 0.0938 0.0937-0.0000 ( 3985 PWs) bands (ev): -9.8244 -9.8244 -9.4680 -9.4680 -3.9237 -3.9237 2.7246 2.7246 3.7026 3.7026 3.8246 3.8246 4.4630 4.4630 4.6112 4.6112 4.7829 4.7829 4.9805 4.9805 5.1741 5.1741 6.1913 6.1913 6.3728 6.3728 6.5633 6.5633 8.1795 8.1795 8.7092 8.7092 8.8865 8.8865 8.9652 8.9652 k = 0.0859 0.0859-0.0000 ( 3981 PWs) bands (ev): -9.8311 -9.8311 -9.4700 -9.4700 -3.9539 -3.9539 2.7202 2.7202 3.6866 3.6866 3.9348 3.9348 4.4900 4.4900 4.6548 4.6548 4.8135 4.8135 5.0388 5.0388 5.2016 5.2016 6.1852 6.1852 6.3470 6.3470 6.4533 6.4533 8.1388 8.1388 8.7364 8.7364 8.8911 8.8911 8.9189 8.9189 k = 0.0781 0.0781-0.0000 ( 3981 PWs) bands (ev): -9.8373 -9.8373 -9.4719 -9.4719 -3.9815 -3.9815 2.7168 2.7168 3.6716 3.6716 4.0455 4.0455 4.5159 4.5159 4.6724 4.6724 4.8675 4.8675 5.0947 5.0947 5.2292 5.2292 6.1783 6.1783 6.3198 6.3198 6.3433 6.3433 8.0997 8.0997 8.7566 8.7566 8.8694 8.8694 8.9076 8.9076 k = 0.0703 0.0703-0.0000 ( 3985 PWs) bands (ev): -9.8431 -9.8431 -9.4737 -9.4737 -4.0065 -4.0065 2.7143 2.7143 3.6577 3.6577 4.1564 4.1564 4.5405 4.5405 4.6754 4.6754 4.9330 4.9330 5.1477 5.1477 5.2566 5.2566 6.1707 6.1707 6.2318 6.2318 6.2932 6.2932 8.0625 8.0625 8.7597 8.7597 8.8468 8.8468 8.9161 8.9161 k = 0.0625 0.0625-0.0000 ( 3989 PWs) bands (ev): -9.8482 -9.8482 -9.4753 -9.4753 -4.0288 -4.0288 2.7125 2.7125 3.6451 3.6451 4.2670 4.2670 4.5639 4.5639 4.6725 4.6725 5.0006 5.0006 5.1969 5.1969 5.2836 5.2836 6.1209 6.1209 6.1625 6.1625 6.2658 6.2658 8.0274 8.0274 8.7377 8.7377 8.8493 8.8493 8.9264 8.9264 k = 0.0547 0.0547-0.0000 ( 3991 PWs) bands (ev): -9.8529 -9.8529 -9.4768 -9.4768 -4.0485 -4.0485 2.7114 2.7114 3.6338 3.6338 4.3760 4.3760 4.5869 4.5869 4.6677 4.6677 5.0661 5.0661 5.2417 5.2417 5.3099 5.3099 6.0098 6.0098 6.1540 6.1540 6.2390 6.2390 7.9946 7.9946 8.7052 8.7052 8.8637 8.8637 8.9373 8.9373 k = 0.0469 0.0469-0.0000 ( 3979 PWs) bands (ev): -9.8569 -9.8569 -9.4781 -9.4781 -4.0656 -4.0656 2.7108 2.7108 3.6239 3.6239 4.4794 4.4794 4.6126 4.6126 4.6632 4.6632 5.1272 5.1272 5.2813 5.2813 5.3353 5.3353 5.8985 5.8985 6.1454 6.1454 6.2135 6.2135 7.9646 7.9646 8.6724 8.6724 8.8800 8.8800 8.9482 8.9482 k = 0.0391 0.0391-0.0000 ( 3983 PWs) bands (ev): -9.8604 -9.8604 -9.4793 -9.4793 -4.0800 -4.0800 2.7105 2.7105 3.6154 3.6154 4.5605 4.5605 4.6455 4.6455 4.6711 4.6711 5.1821 5.1821 5.3151 5.3151 5.3593 5.3593 5.7873 5.7873 6.1370 6.1370 6.1900 6.1900 7.9378 7.9378 8.6426 8.6426 8.8949 8.8949 8.9588 8.9588 k = 0.0312 0.0312-0.0000 ( 3983 PWs) bands (ev): -9.8632 -9.8632 -9.4802 -9.4802 -4.0918 -4.0918 2.7104 2.7104 3.6084 3.6084 4.5987 4.5987 4.6493 4.6493 4.7486 4.7486 5.2295 5.2295 5.3425 5.3425 5.3812 5.3812 5.6766 5.6766 6.1292 6.1292 6.1693 6.1693 7.9150 7.9150 8.6171 8.6171 8.9076 8.9076 8.9686 8.9686 k = 0.0234 0.0234-0.0000 ( 3987 PWs) bands (ev): -9.8655 -9.8655 -9.4810 -9.4810 -4.1010 -4.1010 2.7105 2.7105 3.6030 3.6030 4.6146 4.6146 4.6478 4.6478 4.8501 4.8501 5.2681 5.2681 5.3635 5.3635 5.4000 5.4000 5.5674 5.5674 6.1224 6.1224 6.1520 6.1520 7.8964 7.8964 8.5968 8.5968 8.9175 8.9175 8.9770 8.9770 k = 0.0156 0.0156-0.0000 ( 3987 PWs) bands (ev): -9.8671 -9.8671 -9.4815 -9.4815 -4.1076 -4.1076 2.7106 2.7106 3.5990 3.5990 4.6218 4.6218 4.6479 4.6479 4.9532 4.9532 5.2966 5.2966 5.3784 5.3784 5.4145 5.4145 5.4619 5.4619 6.1170 6.1170 6.1391 6.1391 7.8828 7.8828 8.5819 8.5819 8.9246 8.9246 8.9835 8.9835 k = 0.0078 0.0078-0.0000 ( 3989 PWs) bands (ev): -9.8680 -9.8680 -9.4818 -9.4818 -4.1115 -4.1115 2.7107 2.7107 3.5967 3.5967 4.6245 4.6245 4.6491 4.6491 5.0463 5.0463 5.3139 5.3139 5.3680 5.3680 5.3873 5.3873 5.4237 5.4237 6.1136 6.1136 6.1310 6.1310 7.8744 7.8744 8.5728 8.5728 8.9289 8.9289 8.9877 8.9877 k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -9.8684 -9.8684 -9.4819 -9.4819 -4.1128 -4.1128 2.7107 2.7107 3.5959 3.5959 4.6251 4.6251 4.6497 4.6497 5.0935 5.0935 5.3152 5.3152 5.3251 5.3251 5.3902 5.3902 5.4268 5.4268 6.1125 6.1125 6.1283 6.1283 7.8716 7.8716 8.5698 8.5698 8.9303 8.9303 8.9891 8.9891 k = 0.0000 0.0000 0.0000 ( 3985 PWs) bands (ev): -9.8684 -9.8684 -9.4819 -9.4819 -4.1128 -4.1128 2.7107 2.7107 3.5959 3.5959 4.6251 4.6251 4.6497 4.6497 5.0935 5.0935 5.3152 5.3152 5.3251 5.3251 5.3902 5.3902 5.4268 5.4268 6.1125 6.1125 6.1283 6.1283 7.8716 7.8716 8.5698 8.5698 8.9303 8.9303 8.9891 8.9891 k = 0.0000 0.0000 0.0111 ( 3981 PWs) bands (ev): -9.8683 -9.8683 -9.4820 -9.4820 -4.1129 -4.1129 2.7106 2.7106 3.5986 3.5986 4.6254 4.6254 4.6501 4.6501 5.0938 5.0938 5.3140 5.3140 5.3239 5.3239 5.3910 5.3910 5.4275 5.4275 6.1059 6.1059 6.1277 6.1277 7.8739 7.8739 8.5731 8.5731 8.9308 8.9308 8.9896 8.9896 k = 0.0000 0.0000 0.0222 ( 3977 PWs) bands (ev): -9.8682 -9.8682 -9.4821 -9.4821 -4.1133 -4.1133 2.7103 2.7103 3.6066 3.6066 4.6264 4.6264 4.6512 4.6512 5.0947 5.0947 5.3104 5.3104 5.3203 5.3203 5.3931 5.3931 5.4294 5.4294 6.0865 6.0865 6.1259 6.1259 7.8805 7.8805 8.5827 8.5827 8.9323 8.9323 8.9911 8.9911 k = 0.0000 0.0000 0.0333 ( 3985 PWs) bands (ev): -9.8680 -9.8680 -9.4822 -9.4822 -4.1140 -4.1140 2.7098 2.7098 3.6200 3.6200 4.6281 4.6281 4.6532 4.6532 5.0961 5.0961 5.3048 5.3048 5.3146 5.3146 5.3962 5.3962 5.4324 5.4324 6.0548 6.0548 6.1229 6.1229 7.8916 7.8916 8.5978 8.5978 8.9347 8.9347 8.9935 8.9935 k = 0.0000 0.0000 0.0444 ( 3965 PWs) bands (ev): -9.8677 -9.8677 -9.4824 -9.4824 -4.1148 -4.1148 2.7091 2.7091 3.6386 3.6386 4.6304 4.6304 4.6558 4.6558 5.0981 5.0981 5.2977 5.2977 5.3073 5.3073 5.3999 5.3999 5.4360 5.4360 6.0118 6.0118 6.1189 6.1189 7.9070 7.9070 8.6174 8.6174 8.9381 8.9381 8.9968 8.9968 k = 0.0000 0.0000 0.0555 ( 3969 PWs) bands (ev): -9.8673 -9.8673 -9.4827 -9.4827 -4.1159 -4.1159 2.7083 2.7083 3.6626 3.6626 4.6333 4.6333 4.6591 4.6591 5.1005 5.1005 5.2895 5.2895 5.2985 5.2985 5.4038 5.4038 5.4400 5.4400 5.9586 5.9586 6.1139 6.1139 7.9266 7.9266 8.6399 8.6399 8.9422 8.9422 9.0009 9.0009 k = 0.0000 0.0000 0.0666 ( 3970 PWs) bands (ev): -9.8669 -9.8669 -9.4831 -9.4831 -4.1172 -4.1172 2.7072 2.7072 3.6917 3.6917 4.6368 4.6368 4.6631 4.6631 5.1034 5.1034 5.2805 5.2805 5.2888 5.2888 5.4078 5.4078 5.4442 5.4442 5.8964 5.8964 6.1080 6.1080 7.9503 7.9503 8.6637 8.6637 8.9472 8.9472 9.0057 9.0057 k = 0.0000 0.0000 0.0777 ( 3978 PWs) bands (ev): -9.8664 -9.8664 -9.4834 -9.4834 -4.1186 -4.1186 2.7060 2.7060 3.7259 3.7259 4.6407 4.6407 4.6677 4.6677 5.1067 5.1067 5.2709 5.2709 5.2784 5.2784 5.4117 5.4117 5.4483 5.4483 5.8265 5.8265 6.1014 6.1014 7.9780 7.9780 8.6871 8.6871 8.9527 8.9527 9.0111 9.0111 k = 0.0000 0.0000 0.0888 ( 3978 PWs) bands (ev): -9.8659 -9.8659 -9.4838 -9.4838 -4.1202 -4.1202 2.7046 2.7046 3.7651 3.7651 4.6451 4.6451 4.6727 4.6727 5.1103 5.1103 5.2610 5.2610 5.2674 5.2674 5.4153 5.4153 5.4523 5.4523 5.7503 5.7503 6.0942 6.0942 8.0093 8.0093 8.7086 8.7086 8.9588 8.9588 9.0169 9.0169 k = 0.0000 0.0000 0.0999 ( 3986 PWs) bands (ev): -9.8654 -9.8654 -9.4842 -9.4842 -4.1218 -4.1218 2.7031 2.7031 3.8091 3.8091 4.6497 4.6497 4.6782 4.6782 5.1142 5.1142 5.2508 5.2508 5.2562 5.2562 5.4185 5.4185 5.4561 5.4561 5.6690 5.6690 6.0866 6.0866 8.0442 8.0442 8.7267 8.7267 8.9652 8.9652 9.0231 9.0231 k = 0.0000 0.0000 0.1110 ( 3986 PWs) bands (ev): -9.8648 -9.8648 -9.4847 -9.4847 -4.1234 -4.1234 2.7016 2.7016 3.8577 3.8577 4.6547 4.6547 4.6840 4.6840 5.1182 5.1182 5.2407 5.2407 5.2448 5.2448 5.4210 5.4210 5.4596 5.4596 5.5841 5.5841 6.0788 6.0788 8.0821 8.0821 8.7402 8.7402 8.9718 8.9718 9.0295 9.0295 k = 0.0000 0.0000 0.1221 ( 3986 PWs) bands (ev): -9.8642 -9.8642 -9.4851 -9.4851 -4.1251 -4.1251 2.6999 2.6999 3.9107 3.9107 4.6597 4.6597 4.6899 4.6899 5.1222 5.1222 5.2308 5.2308 5.2337 5.2337 5.4214 5.4214 5.4628 5.4628 5.4981 5.4981 6.0709 6.0709 8.1229 8.1229 8.7481 8.7481 8.9784 8.9784 9.0358 9.0358 k = 0.0000 0.0000 0.1332 ( 3990 PWs) bands (ev): -9.8637 -9.8637 -9.4855 -9.4855 -4.1267 -4.1267 2.6983 2.6983 3.9678 3.9678 4.6647 4.6647 4.6959 4.6959 5.1262 5.1262 5.2212 5.2212 5.2228 5.2228 5.3931 5.3931 5.4384 5.4384 5.4657 5.4657 6.0632 6.0632 8.1662 8.1662 8.7497 8.7497 8.9848 8.9848 9.0421 9.0421 k = 0.0000 0.0000 0.1443 ( 3990 PWs) bands (ev): -9.8632 -9.8632 -9.4860 -9.4860 -4.1282 -4.1282 2.6968 2.6968 4.0286 4.0286 4.6697 4.6697 4.7017 4.7017 5.1301 5.1301 5.2122 5.2122 5.2125 5.2125 5.3083 5.3083 5.4339 5.4339 5.4682 5.4682 6.0558 6.0558 8.2115 8.2115 8.7448 8.7448 8.9908 8.9908 9.0480 9.0480 k = 0.0000 0.0000 0.1554 ( 3982 PWs) bands (ev): -9.8627 -9.8627 -9.4863 -9.4863 -4.1296 -4.1296 2.6953 2.6953 4.0925 4.0925 4.6743 4.6743 4.7073 4.7073 5.1337 5.1337 5.2030 5.2030 5.2038 5.2038 5.2180 5.2180 5.4347 5.4347 5.4704 5.4704 6.0490 6.0490 8.2585 8.2585 8.7332 8.7332 8.9963 8.9963 9.0535 9.0535 k = 0.0000 0.0000 0.1665 ( 3982 PWs) bands (ev): -9.8622 -9.8622 -9.4867 -9.4867 -4.1309 -4.1309 2.6940 2.6940 4.1588 4.1588 4.6786 4.6786 4.7124 4.7124 5.1283 5.1283 5.1369 5.1369 5.1945 5.1945 5.1965 5.1965 5.4359 5.4359 5.4723 5.4723 6.0429 6.0429 8.3065 8.3065 8.7151 8.7151 9.0011 9.0011 9.0584 9.0584 k = 0.0000 0.0000 0.1776 ( 3986 PWs) bands (ev): -9.8619 -9.8619 -9.4869 -9.4869 -4.1320 -4.1320 2.6928 2.6928 4.2260 4.2260 4.6823 4.6823 4.7169 4.7169 5.0412 5.0412 5.1397 5.1397 5.1871 5.1871 5.1901 5.1901 5.4371 5.4371 5.4738 5.4738 6.0377 6.0377 8.3552 8.3552 8.6909 8.6909 9.0053 9.0053 9.0626 9.0626 k = 0.0000 0.0000 0.1887 ( 3994 PWs) bands (ev): -9.8616 -9.8616 -9.4872 -9.4872 -4.1328 -4.1328 2.6919 2.6919 4.2921 4.2921 4.6854 4.6854 4.7206 4.7206 4.9594 4.9594 5.1420 5.1420 5.1811 5.1811 5.1850 5.1850 5.4380 5.4380 5.4749 5.4749 6.0334 6.0334 8.4038 8.4038 8.6612 8.6612 9.0085 9.0085 9.0660 9.0660 k = 0.0000 0.0000 0.1997 ( 4010 PWs) bands (ev): -9.8614 -9.8614 -9.4874 -9.4874 -4.1335 -4.1335 2.6912 2.6912 4.3526 4.3526 4.6877 4.6877 4.7234 4.7234 4.8875 4.8875 5.1437 5.1437 5.1767 5.1767 5.1813 5.1813 5.4387 5.4387 5.4758 5.4758 6.0303 6.0303 8.4517 8.4517 8.6268 8.6268 9.0109 9.0109 9.0685 9.0685 k = 0.0000 0.0000 0.2108 ( 4026 PWs) bands (ev): -9.8612 -9.8612 -9.4875 -9.4875 -4.1338 -4.1338 2.6908 2.6908 4.3988 4.3988 4.6892 4.6892 4.7251 4.7251 4.8342 4.8342 5.1448 5.1448 5.1740 5.1740 5.1790 5.1790 5.4391 5.4391 5.4763 5.4763 6.0284 6.0284 8.4978 8.4978 8.5887 8.5887 9.0124 9.0124 9.0700 9.0700 k = 0.0000 0.0000 0.2219 ( 4026 PWs) bands (ev): -9.8612 -9.8612 -9.4875 -9.4875 -4.1340 -4.1340 2.6907 2.6907 4.4171 4.4171 4.6898 4.6898 4.7257 4.7257 4.8136 4.8136 5.1451 5.1451 5.1731 5.1731 5.1782 5.1782 5.4392 5.4392 5.4764 5.4764 6.0278 6.0278 8.5319 8.5319 8.5572 8.5572 9.0129 9.0129 9.0705 9.0705 k = 0.0000 0.0000 0.2219 ( 4026 PWs) bands (ev): -9.8612 -9.8612 -9.4875 -9.4875 -4.1340 -4.1340 2.6907 2.6907 4.4171 4.4171 4.6898 4.6898 4.7257 4.7257 4.8136 4.8136 5.1451 5.1451 5.1731 5.1731 5.1782 5.1782 5.4392 5.4392 5.4764 5.4764 6.0278 6.0278 8.5319 8.5319 8.5572 8.5572 9.0129 9.0129 9.0705 9.0705 k = 0.0000 0.0111 0.2219 ( 4018 PWs) bands (ev): -9.8609 -9.8609 -9.4874 -9.4874 -4.1327 -4.1327 2.6913 2.6913 4.4157 4.4157 4.6802 4.6802 4.7176 4.7176 4.8292 4.8292 5.0586 5.0586 5.1768 5.1768 5.2395 5.2395 5.4459 5.4459 5.4861 5.4861 6.0297 6.0297 8.5341 8.5341 8.5571 8.5571 9.0109 9.0109 9.0685 9.0685 k = 0.0000 0.0222 0.2219 ( 4014 PWs) bands (ev): -9.8599 -9.8599 -9.4870 -9.4870 -4.1287 -4.1287 2.6933 2.6933 4.4112 4.4112 4.6500 4.6500 4.7098 4.7098 4.8612 4.8612 4.9477 4.9477 5.1803 5.1803 5.2824 5.2824 5.4501 5.4501 5.5315 5.5315 6.0355 6.0355 8.5407 8.5407 8.5568 8.5568 9.0051 9.0051 9.0626 9.0626 k = 0.0000 0.0333 0.2219 ( 4000 PWs) bands (ev): -9.8583 -9.8583 -9.4864 -9.4864 -4.1221 -4.1221 2.6967 2.6967 4.4017 4.4017 4.6085 4.6085 4.7056 4.7056 4.8320 4.8320 4.8971 4.8971 5.1860 5.1860 5.2969 5.2969 5.4462 5.4462 5.6081 5.6081 6.0450 6.0450 8.5510 8.5510 8.5566 8.5566 8.9953 8.9953 9.0531 9.0531 k = 0.0000 0.0444 0.2219 ( 3992 PWs) bands (ev): -9.8561 -9.8561 -9.4856 -9.4856 -4.1128 -4.1128 2.7013 2.7013 4.3823 4.3823 4.5624 4.5624 4.7017 4.7017 4.7196 4.7196 4.9331 4.9331 5.1939 5.1939 5.2964 5.2964 5.4382 5.4382 5.6965 5.6965 6.0581 6.0581 8.5548 8.5548 8.5661 8.5661 8.9817 8.9817 9.0408 9.0408 k = 0.0000 0.0556 0.2219 ( 3986 PWs) bands (ev): -9.8533 -9.8533 -9.4846 -9.4846 -4.1010 -4.1010 2.7070 2.7070 4.3425 4.3425 4.5140 4.5140 4.6219 4.6219 4.6976 4.6976 4.9683 4.9683 5.2040 5.2040 5.2885 5.2885 5.4274 5.4274 5.7877 5.7877 6.0743 6.0743 8.5534 8.5534 8.5835 8.5835 8.9646 8.9646 9.0263 9.0263 k = 0.0000 0.0667 0.2219 ( 3986 PWs) bands (ev): -9.8499 -9.8499 -9.4833 -9.4833 -4.0864 -4.0864 2.7138 2.7138 4.2679 4.2679 4.4641 4.4641 4.5543 4.5543 4.6928 4.6928 5.0021 5.0021 5.2162 5.2162 5.2764 5.2764 5.4143 5.4143 5.8783 5.8783 6.0936 6.0936 8.5511 8.5511 8.6036 8.6036 8.9444 8.9444 9.0104 9.0104 k = 0.0000 0.0778 0.2219 ( 3992 PWs) bands (ev): -9.8458 -9.8458 -9.4819 -9.4819 -4.0693 -4.0693 2.7215 2.7215 4.1588 4.1588 4.4133 4.4133 4.5167 4.5167 4.6872 4.6872 5.0345 5.0345 5.2301 5.2301 5.2618 5.2618 5.3993 5.3993 5.9671 5.9671 6.1153 6.1153 8.5475 8.5475 8.6259 8.6259 8.9221 8.9221 8.9935 8.9935 k = 0.0000 0.0889 0.2219 ( 3988 PWs) bands (ev): -9.8412 -9.8412 -9.4802 -9.4802 -4.0494 -4.0494 2.7299 2.7299 4.0295 4.0295 4.3617 4.3617 4.4959 4.4959 4.6809 4.6809 5.0654 5.0654 5.2434 5.2434 5.2477 5.2477 5.3832 5.3832 6.0536 6.0536 6.1392 6.1392 8.5422 8.5422 8.6497 8.6497 8.8990 8.8990 8.9761 8.9761 k = 0.0000 0.1000 0.2219 ( 3982 PWs) bands (ev): -9.8360 -9.8360 -9.4784 -9.4784 -4.0270 -4.0270 2.7384 2.7384 3.8901 3.8901 4.3096 4.3096 4.4822 4.4822 4.6738 4.6738 5.0945 5.0945 5.2289 5.2289 5.2611 5.2611 5.3674 5.3674 6.1376 6.1376 6.1650 6.1650 8.5344 8.5344 8.6745 8.6745 8.8770 8.8770 8.9585 8.9585 k = 0.0000 0.1111 0.2219 ( 3978 PWs) bands (ev): -9.8303 -9.8303 -9.4765 -9.4765 -4.0019 -4.0019 2.7466 2.7466 3.7459 3.7459 4.2571 4.2571 4.4710 4.4710 4.6660 4.6660 5.1220 5.1220 5.2128 5.2128 5.2729 5.2729 5.3556 5.3556 6.1908 6.1908 6.2206 6.2206 8.5234 8.5234 8.6995 8.6995 8.8583 8.8583 8.9409 8.9409 k = 0.0000 0.1222 0.2219 ( 3978 PWs) bands (ev): -9.8240 -9.8240 -9.4744 -9.4744 -3.9742 -3.9742 2.7532 2.7532 3.6004 3.6004 4.2045 4.2045 4.4600 4.4600 4.6576 4.6576 5.1476 5.1476 5.1977 5.1977 5.2738 5.2738 5.3553 5.3553 6.2183 6.2183 6.3007 6.3007 8.5084 8.5084 8.7234 8.7234 8.8457 8.8457 8.9237 8.9237 k = 0.0000 0.1333 0.2219 ( 3974 PWs) bands (ev): -9.8172 -9.8172 -9.4722 -9.4722 -3.9438 -3.9438 2.7564 2.7564 3.4566 3.4566 4.1519 4.1519 4.4481 4.4481 4.6485 4.6485 5.1712 5.1712 5.1844 5.1844 5.2610 5.2610 5.3699 5.3699 6.2456 6.2456 6.3793 6.3793 8.4889 8.4889 8.7442 8.7442 8.8423 8.8423 8.9072 8.9072 k = 0.0000 0.1444 0.2219 ( 3972 PWs) bands (ev): -9.8099 -9.8099 -9.4699 -9.4699 -3.9108 -3.9108 2.7522 2.7522 3.3194 3.3194 4.0995 4.0995 4.4345 4.4345 4.6388 4.6388 5.1732 5.1732 5.1921 5.1921 5.2406 5.2406 5.3937 5.3937 6.2725 6.2725 6.4565 6.4565 8.4651 8.4651 8.7602 8.7602 8.8501 8.8501 8.8921 8.8921 k = 0.0000 0.1556 0.2219 ( 3968 PWs) bands (ev): -9.8022 -9.8022 -9.4675 -9.4675 -3.8751 -3.8751 2.7328 2.7328 3.1971 3.1971 4.0476 4.0476 4.4189 4.4189 4.6286 4.6286 5.1647 5.1647 5.2033 5.2033 5.2241 5.2241 5.4227 5.4227 6.2983 6.2983 6.5324 6.5324 8.4378 8.4378 8.7718 8.7718 8.8628 8.8628 8.8846 8.8846 k = 0.0000 0.1667 0.2219 ( 3976 PWs) bands (ev): -9.7940 -9.7940 -9.4651 -9.4651 -3.8368 -3.8368 2.6850 2.6850 3.1031 3.1031 3.9962 3.9962 4.4009 4.4009 4.6178 4.6178 5.1583 5.1583 5.1839 5.1839 5.2345 5.2345 5.4554 5.4554 6.3227 6.3227 6.6072 6.6072 8.4078 8.4078 8.7820 8.7820 8.8580 8.8580 8.9043 8.9043 k = 0.0000 0.1778 0.2219 ( 3978 PWs) bands (ev): -9.7854 -9.7854 -9.4626 -9.4626 -3.7959 -3.7959 2.5991 2.5991 3.0475 3.0475 3.9455 3.9455 4.3807 4.3807 4.6067 4.6067 5.1466 5.1466 5.1654 5.1654 5.2490 5.2490 5.4909 5.4909 6.3450 6.3450 6.6810 6.6810 8.3766 8.3766 8.7911 8.7911 8.8501 8.8501 8.9361 8.9361 k = 0.0000 0.1889 0.2219 ( 3968 PWs) bands (ev): -9.7763 -9.7763 -9.4602 -9.4602 -3.7523 -3.7523 2.4809 2.4809 3.0247 3.0247 3.8956 3.8956 4.3583 4.3583 4.5951 4.5951 5.1197 5.1197 5.1636 5.1636 5.2616 5.2616 5.5291 5.5291 6.3650 6.3650 6.7538 6.7538 8.3451 8.3451 8.7953 8.7953 8.8505 8.8505 8.9723 8.9723 k = 0.0000 0.2000 0.2219 ( 3964 PWs) bands (ev): -9.7670 -9.7670 -9.4578 -9.4578 -3.7061 -3.7061 2.3437 2.3437 3.0215 3.0215 3.8466 3.8466 4.3342 4.3342 4.5832 4.5832 5.0890 5.0890 5.1682 5.1682 5.2717 5.2717 5.5699 5.5699 6.3821 6.3821 6.8258 6.8258 8.3143 8.3143 8.7908 8.7908 8.8640 8.8640 9.0117 9.0117 k = 0.0000 0.2111 0.2219 ( 3956 PWs) bands (ev): -9.7573 -9.7573 -9.4555 -9.4555 -3.6572 -3.6572 2.1968 2.1968 3.0288 3.0288 3.7988 3.7988 4.3085 4.3085 4.5711 4.5711 5.0570 5.0570 5.1765 5.1765 5.2789 5.2789 5.6130 5.6130 6.3962 6.3962 6.8968 6.8968 8.2848 8.2848 8.7807 8.7807 8.8875 8.8875 9.0540 9.0540 k = 0.0000 0.2222 0.2219 ( 3954 PWs) bands (ev): -9.7472 -9.7472 -9.4532 -9.4532 -3.6058 -3.6058 2.0450 2.0450 3.0418 3.0418 3.7521 3.7521 4.2819 4.2819 4.5588 4.5588 5.0245 5.0245 5.1879 5.1879 5.2831 5.2831 5.6585 5.6585 6.4070 6.4070 6.9668 6.9668 8.2573 8.2573 8.7683 8.7683 8.9180 8.9180 9.0989 9.0989 k = 0.0000 0.2333 0.2219 ( 3958 PWs) bands (ev): -9.7370 -9.7370 -9.4511 -9.4511 -3.5517 -3.5517 1.8907 1.8907 3.0580 3.0580 3.7068 3.7068 4.2549 4.2549 4.5464 4.5464 4.9917 4.9917 5.2022 5.2022 5.2840 5.2840 5.7063 5.7063 6.4144 6.4144 7.0358 7.0358 8.2320 8.2320 8.7546 8.7546 8.9540 8.9540 9.1465 9.1465 k = 0.0000 0.2444 0.2219 ( 3962 PWs) bands (ev): -9.7264 -9.7264 -9.4491 -9.4491 -3.4949 -3.4949 1.7353 1.7353 3.0760 3.0760 3.6629 3.6629 4.2279 4.2279 4.5340 4.5340 4.9587 4.9587 5.2190 5.2190 5.2815 5.2815 5.7564 5.7564 6.4184 6.4184 7.1037 7.1037 8.2092 8.2092 8.7397 8.7397 8.9952 8.9952 9.1968 9.1968 k = 0.0000 0.2556 0.2219 ( 3966 PWs) bands (ev): -9.7157 -9.7157 -9.4472 -9.4472 -3.4356 -3.4356 1.5796 1.5796 3.0948 3.0948 3.6204 3.6204 4.2016 4.2016 4.5217 4.5217 4.9258 4.9258 5.2379 5.2379 5.2757 5.2757 5.8087 5.8087 6.4190 6.4190 7.1702 7.1702 8.1889 8.1889 8.7234 8.7234 9.0411 9.0411 9.2498 9.2498 k = 0.0000 0.2667 0.2219 ( 3966 PWs) bands (ev): -9.7048 -9.7048 -9.4456 -9.4456 -3.3736 -3.3736 1.4242 1.4242 3.1139 3.1139 3.5796 3.5796 4.1765 4.1765 4.5095 4.5095 4.8932 4.8932 5.2563 5.2563 5.2689 5.2689 5.8633 5.8633 6.4164 6.4164 7.2354 7.2354 8.1710 8.1710 8.7054 8.7054 9.0914 9.0914 9.3054 9.3054 k = 0.0000 0.2778 0.2219 ( 3970 PWs) bands (ev): -9.6938 -9.6938 -9.4442 -9.4442 -3.3090 -3.3090 1.2694 1.2694 3.1326 3.1326 3.5405 3.5405 4.1533 4.1533 4.4975 4.4975 4.8609 4.8609 5.2503 5.2503 5.2845 5.2845 5.9199 5.9199 6.4109 6.4109 7.2990 7.2990 8.1557 8.1557 8.6851 8.6851 9.1459 9.1459 9.3635 9.3635 k = 0.0000 0.2889 0.2219 ( 3970 PWs) bands (ev): -9.6826 -9.6826 -9.4431 -9.4431 -3.2418 -3.2418 1.1156 1.1156 3.1505 3.1505 3.5031 3.5031 4.1324 4.1324 4.4859 4.4859 4.8290 4.8290 5.2336 5.2336 5.3089 5.3089 5.9788 5.9788 6.4026 6.4026 7.3609 7.3609 8.1425 8.1425 8.6619 8.6619 9.2042 9.2042 9.4239 9.4239 k = 0.0000 0.3000 0.2219 ( 3968 PWs) bands (ev): -9.6714 -9.6714 -9.4422 -9.4422 -3.1720 -3.1720 0.9628 0.9628 3.1672 3.1672 3.4675 3.4675 4.1145 4.1145 4.4746 4.4746 4.7978 4.7978 5.2128 5.2128 5.3352 5.3352 6.0397 6.0397 6.3918 6.3918 7.4209 7.4209 8.1315 8.1315 8.6353 8.6353 9.2656 9.2656 9.4864 9.4864 k = 0.0000 0.3111 0.2219 ( 3972 PWs) bands (ev): -9.6601 -9.6601 -9.4416 -9.4416 -3.0996 -3.0996 0.8114 0.8114 3.1821 3.1821 3.4339 3.4339 4.1001 4.1001 4.4639 4.4639 4.7672 4.7672 5.1884 5.1884 5.3629 5.3629 6.1026 6.1026 6.3788 6.3788 7.4788 7.4788 8.1224 8.1224 8.6046 8.6046 9.3296 9.3296 9.5504 9.5504 k = 0.0000 0.3222 0.2219 ( 3976 PWs) bands (ev): -9.6489 -9.6489 -9.4414 -9.4414 -3.0246 -3.0246 0.6614 0.6614 3.1950 3.1950 3.4022 3.4022 4.0896 4.0896 4.4536 4.4536 4.7375 4.7375 5.1606 5.1606 5.3919 5.3919 6.1675 6.1675 6.3638 6.3638 7.5345 7.5345 8.1150 8.1150 8.5693 8.5693 9.3956 9.3956 9.6154 9.6154 k = 0.0000 0.3333 0.2219 ( 3970 PWs) bands (ev): -9.6377 -9.6377 -9.4415 -9.4415 -2.9470 -2.9470 0.5129 0.5129 3.2055 3.2055 3.3725 3.3725 4.0835 4.0835 4.4441 4.4441 4.7086 4.7086 5.1296 5.1296 5.4220 5.4220 6.2342 6.2342 6.3471 6.3471 7.5878 7.5878 8.1091 8.1091 8.5290 8.5290 9.4627 9.4627 9.6805 9.6805 k = 0.0000 0.3444 0.2219 ( 3958 PWs) bands (ev): -9.6265 -9.6265 -9.4420 -9.4420 -2.8668 -2.8668 0.3661 0.3661 3.2136 3.2136 3.3448 3.3448 4.0820 4.0820 4.4352 4.4352 4.6808 4.6808 5.0957 5.0957 5.4530 5.4530 6.3007 6.3007 6.3308 6.3308 7.6386 7.6386 8.1045 8.1045 8.4833 8.4833 9.5301 9.5301 9.7446 9.7446 k = 0.0000 0.3556 0.2219 ( 3954 PWs) bands (ev): -9.6155 -9.6155 -9.4428 -9.4428 -2.7840 -2.7840 0.2211 0.2211 3.2190 3.2190 3.3192 3.3192 4.0853 4.0853 4.4272 4.4272 4.6539 4.6539 5.0591 5.0591 5.4849 5.4849 6.3059 6.3059 6.3761 6.3761 7.6867 7.6867 8.1010 8.1010 8.4321 8.4321 9.5968 9.5968 9.8052 9.8053 k = 0.0000 0.3667 0.2219 ( 3962 PWs) bands (ev): -9.6046 -9.6046 -9.4441 -9.4441 -2.6987 -2.6987 0.0779 0.0779 3.2219 3.2219 3.2957 3.2957 4.0935 4.0935 4.4200 4.4200 4.6282 4.6282 5.0202 5.0202 5.5175 5.5175 6.2847 6.2847 6.4480 6.4480 7.7321 7.7321 8.0983 8.0983 8.3757 8.3757 9.6616 9.6616 9.8322 9.8323 k = 0.0000 0.3778 0.2219 ( 3962 PWs) bands (ev): -9.5938 -9.5938 -9.4458 -9.4458 -2.6108 -2.6108 -0.0635 -0.0635 3.2225 3.2225 3.2744 3.2744 4.1065 4.1065 4.4138 4.4138 4.6037 4.6037 4.9792 4.9792 5.5507 5.5507 6.2617 6.2617 6.5222 6.5222 7.7747 7.7747 8.0964 8.0964 8.3141 8.3141 9.7225 9.7225 9.8351 9.8351 k = 0.0000 0.3889 0.2219 ( 3954 PWs) bands (ev): -9.5833 -9.5833 -9.4479 -9.4479 -2.5204 -2.5204 -0.2029 -0.2029 3.2210 3.2210 3.2552 3.2552 4.1240 4.1240 4.4086 4.4086 4.5804 4.5804 4.9365 4.9365 5.5846 5.5846 6.2372 6.2372 6.5983 6.5983 7.8143 7.8143 8.0948 8.0948 8.2479 8.2479 9.7755 9.7755 9.8467 9.8467 k = 0.0000 0.4000 0.2219 ( 3950 PWs) bands (ev): -9.5729 -9.5729 -9.4504 -9.4504 -2.4274 -2.4274 -0.3403 -0.3403 3.2178 3.2178 3.2381 3.2381 4.1458 4.1458 4.4045 4.4045 4.5584 4.5584 4.8923 4.8923 5.6189 5.6189 6.2113 6.2113 6.6759 6.6759 7.8508 7.8508 8.0932 8.0932 8.1779 8.1779 9.8126 9.8126 9.8752 9.8752 k = 0.0000 0.4111 0.2219 ( 3932 PWs) bands (ev): -9.5628 -9.5628 -9.4535 -9.4535 -2.3320 -2.3320 -0.4756 -0.4756 3.2132 3.2132 3.2232 3.2232 4.1714 4.1714 4.4015 4.4015 4.5378 4.5378 4.8470 4.8470 5.6535 5.6535 6.1843 6.1843 6.7552 6.7552 7.8841 7.8841 8.0878 8.0878 8.1082 8.1082 9.8360 9.8360 9.9172 9.9172 k = 0.0000 0.4222 0.2219 ( 3932 PWs) bands (ev): -9.5531 -9.5531 -9.4569 -9.4569 -2.2340 -2.2340 -0.6088 -0.6088 3.2078 3.2078 3.2104 3.2104 4.2006 4.2006 4.3997 4.3997 4.5185 4.5185 4.8008 4.8008 5.6885 5.6885 6.1561 6.1561 6.8358 6.8358 7.9132 7.9132 8.0259 8.0259 8.0927 8.0927 9.8568 9.8568 9.9610 9.9610 k = 0.0000 0.4333 0.2219 ( 3932 PWs) bands (ev): -9.5436 -9.5436 -9.4609 -9.4609 -2.1335 -2.1335 -0.7398 -0.7398 3.1996 3.1996 3.2020 3.2020 4.2329 4.2329 4.3991 4.3991 4.5006 4.5006 4.7540 4.7540 5.7236 5.7236 6.1269 6.1269 6.9178 6.9178 7.9233 7.9233 7.9639 7.9639 8.0903 8.0903 9.8792 9.8792 10.0013 10.0014 k = 0.0000 0.4444 0.2219 ( 3936 PWs) bands (ev): -9.5344 -9.5344 -9.4653 -9.4653 -2.0305 -2.0305 -0.8687 -0.8687 3.1909 3.1909 3.1960 3.1960 4.2680 4.2680 4.3999 4.3999 4.4842 4.4842 4.7068 4.7068 5.7588 5.7588 6.0966 6.0966 7.0011 7.0011 7.8564 7.8564 7.9735 7.9735 8.0875 8.0875 9.9041 9.9041 10.0367 10.0367 k = 0.0000 0.4556 0.2219 ( 3938 PWs) bands (ev): -9.5256 -9.5256 -9.4702 -9.4702 -1.9251 -1.9251 -0.9954 -0.9954 3.1842 3.1842 3.1903 3.1903 4.3054 4.3054 4.4019 4.4019 4.4692 4.4692 4.6596 4.6596 5.7941 5.7941 6.0655 6.0655 7.0853 7.0853 7.7740 7.7740 7.9940 7.9940 8.0839 8.0839 9.9317 9.9317 10.0666 10.0666 k = 0.0000 0.4667 0.2219 ( 3930 PWs) bands (ev): -9.5172 -9.5172 -9.4756 -9.4756 -1.8173 -1.8173 -1.1198 -1.1198 3.1795 3.1795 3.1852 3.1852 4.3449 4.3449 4.4054 4.4054 4.4557 4.4557 4.6125 4.6125 5.8293 5.8293 6.0335 6.0335 7.1705 7.1705 7.6892 7.6892 8.0128 8.0128 8.0791 8.0791 9.9616 9.9616 10.0908 10.0909 k = 0.0000 0.4778 0.2219 ( 3924 PWs) bands (ev): -9.5092 -9.5092 -9.4814 -9.4814 -1.7070 -1.7070 -1.2419 -1.2419 3.1766 3.1766 3.1809 3.1809 4.3859 4.3859 4.4106 4.4106 4.4437 4.4437 4.5658 4.5658 5.8643 5.8643 6.0007 6.0007 7.2565 7.2565 7.6032 7.6032 8.0293 8.0293 8.0729 8.0729 9.9937 9.9937 10.1085 10.1098 k = 0.0000 0.4889 0.2219 ( 3920 PWs) bands (ev): -9.5016 -9.5016 -9.4877 -9.4877 -1.5942 -1.5942 -1.3617 -1.3617 3.1754 3.1754 3.1777 3.1777 4.4151 4.4151 4.4284 4.4284 4.4353 4.4353 4.5197 4.5197 5.8990 5.8990 5.9674 5.9674 7.3429 7.3429 7.5166 7.5166 8.0434 8.0434 8.0650 8.0650 10.0274 10.0274 10.0953 10.0954 k = 0.0000 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4792 -1.4792 -1.4792 -1.4792 3.1758 3.1758 3.1758 3.1758 4.4234 4.4234 4.4234 4.4234 4.4746 4.4746 4.4746 4.4746 5.9334 5.9334 5.9334 5.9334 7.4297 7.4297 7.4297 7.4297 8.0553 8.0553 8.0553 8.0553 10.0621 10.0621 10.0621 10.0621 k = 0.0000 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4792 -1.4792 -1.4792 -1.4792 3.1758 3.1758 3.1758 3.1758 4.4234 4.4234 4.4234 4.4234 4.4746 4.4746 4.4746 4.4746 5.9334 5.9334 5.9334 5.9334 7.4297 7.4297 7.4297 7.4297 8.0553 8.0553 8.0553 8.0553 10.0621 10.0621 10.0621 10.0621 k = 0.0111 0.5000 0.2219 ( 3924 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4781 -1.4781 -1.4776 -1.4776 3.1765 3.1765 3.1772 3.1772 4.4088 4.4088 4.4148 4.4148 4.4830 4.4830 4.4891 4.4891 5.9320 5.9320 5.9323 5.9323 7.4043 7.4043 7.4134 7.4134 8.0662 8.0662 8.0785 8.0785 10.0317 10.0317 10.0326 10.0326 k = 0.0222 0.5000 0.2219 ( 3924 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4745 -1.4745 -1.4733 -1.4733 3.1793 3.1793 3.1808 3.1808 4.3853 4.3853 4.3928 4.3928 4.5047 4.5047 4.5123 4.5123 5.9281 5.9281 5.9287 5.9287 7.3444 7.3444 7.3595 7.3595 8.1070 8.1070 8.1285 8.1285 9.9811 9.9811 9.9817 9.9817 k = 0.0333 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4681 -1.4681 -1.4664 -1.4664 3.1843 3.1843 3.1865 3.1865 4.3599 4.3599 4.3678 4.3678 4.5291 4.5291 4.5373 4.5373 5.9215 5.9215 5.9225 5.9225 7.2614 7.2614 7.2794 7.2794 8.1669 8.1669 8.1941 8.1941 9.9278 9.9278 9.9279 9.9279 k = 0.0444 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4592 -1.4592 -1.4570 -1.4570 3.1912 3.1912 3.1941 3.1941 4.3339 4.3339 4.3421 4.3421 4.5541 4.5541 4.5625 4.5625 5.9121 5.9121 5.9136 5.9136 7.1640 7.1640 7.1826 7.1826 8.2361 8.2361 8.2669 8.2669 9.8747 9.8747 9.8749 9.8749 k = 0.0556 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4943 -9.4943 -9.4943 -9.4943 -1.4477 -1.4477 -1.4448 -1.4448 3.2001 3.2001 3.2037 3.2037 4.3081 4.3081 4.3164 4.3164 4.5789 4.5789 4.5876 4.5876 5.8997 5.8997 5.9018 5.9018 7.0575 7.0575 7.0755 7.0755 8.3090 8.3090 8.3415 8.3415 9.8235 9.8235 9.8238 9.8238 k = 0.0667 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4943 -9.4943 -9.4943 -9.4943 -1.4335 -1.4335 -1.4301 -1.4301 3.2108 3.2108 3.2151 3.2151 4.2826 4.2826 4.2910 4.2910 4.6033 4.6033 4.6121 4.6121 5.8838 5.8838 5.8868 5.8868 6.9454 6.9454 6.9619 6.9619 8.3818 8.3818 8.4150 8.4150 9.7755 9.7755 9.7755 9.7755 k = 0.0778 0.5000 0.2219 ( 3924 PWs) bands (ev): -9.4943 -9.4943 -9.4943 -9.4943 -1.4167 -1.4167 -1.4127 -1.4127 3.2231 3.2231 3.2282 3.2282 4.2577 4.2577 4.2663 4.2663 4.6270 4.6270 4.6360 4.6360 5.8640 5.8640 5.8682 5.8682 6.8302 6.8302 6.8446 6.8446 8.4526 8.4526 8.4854 8.4854 9.7308 9.7308 9.7316 9.7316 k = 0.0889 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4942 -9.4942 -9.4942 -9.4942 -1.3972 -1.3972 -1.3928 -1.3928 3.2368 3.2368 3.2426 3.2426 4.2336 4.2336 4.2424 4.2424 4.6500 4.6500 4.6592 4.6592 5.8395 5.8395 5.8452 5.8452 6.7139 6.7139 6.7258 6.7258 8.5198 8.5198 8.5512 8.5512 9.6906 9.6906 9.6930 9.6930 k = 0.1000 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4942 -9.4942 -9.4942 -9.4942 -1.3752 -1.3752 -1.3702 -1.3702 3.2518 3.2518 3.2583 3.2583 4.2105 4.2105 4.2195 4.2195 4.6720 4.6720 4.6814 4.6814 5.8092 5.8092 5.8169 5.8169 6.5988 6.5988 6.6074 6.6074 8.5824 8.5824 8.6115 8.6115 9.6558 9.6558 9.6605 9.6605 k = 0.1111 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4941 -9.4941 -9.4941 -9.4941 -1.3506 -1.3506 -1.3451 -1.3451 3.2677 3.2677 3.2749 3.2749 4.1886 4.1886 4.1977 4.1977 4.6931 4.6931 4.7026 4.7026 5.7717 5.7717 5.7820 5.7820 6.4870 6.4870 6.4919 6.4919 8.6395 8.6395 8.6650 8.6650 9.6274 9.6274 9.6353 9.6353 k = 0.1222 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4941 -9.4941 -9.4941 -9.4941 -1.3234 -1.3234 -1.3174 -1.3174 3.2842 3.2842 3.2922 3.2922 4.1680 4.1680 4.1774 4.1774 4.7129 4.7129 4.7227 4.7227 5.7251 5.7251 5.7385 5.7385 6.3812 6.3812 6.3818 6.3818 8.6900 8.6900 8.7112 8.7112 9.6062 9.6062 9.6182 9.6182 k = 0.1333 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4940 -9.4940 -9.4940 -9.4940 -1.2936 -1.2936 -1.2871 -1.2871 3.3011 3.3011 3.3096 3.3096 4.1491 4.1491 4.1586 4.1586 4.7315 4.7315 4.7415 4.7415 5.6674 5.6674 5.6843 5.6843 6.2802 6.2802 6.2843 6.2843 8.7334 8.7334 8.7492 8.7492 9.5932 9.5932 9.6099 9.6099 k = 0.1444 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4940 -9.4940 -9.4939 -9.4939 -1.2613 -1.2613 -1.2543 -1.2543 3.3179 3.3179 3.3270 3.3270 4.1319 4.1319 4.1415 4.1415 4.7485 4.7485 4.7588 4.7588 5.5971 5.5971 5.6175 5.6175 6.1898 6.1898 6.1984 6.1984 8.7689 8.7689 8.7789 8.7789 9.5889 9.5889 9.6110 9.6110 k = 0.1556 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4939 -9.4939 -9.4939 -9.4939 -1.2264 -1.2264 -1.2189 -1.2189 3.3341 3.3341 3.3437 3.3437 4.1166 4.1166 4.1262 4.1262 4.7639 4.7639 4.7744 4.7744 5.5141 5.5141 5.5372 5.5372 6.1122 6.1122 6.1247 6.1247 8.7964 8.7964 8.8003 8.8003 9.5938 9.5938 9.6213 9.6213 k = 0.1667 0.5000 0.2219 ( 3944 PWs) bands (ev): -9.4938 -9.4938 -9.4938 -9.4938 -1.1890 -1.1890 -1.1810 -1.1810 3.3494 3.3494 3.3594 3.3594 4.1032 4.1032 4.1127 4.1127 4.7771 4.7771 4.7880 4.7880 5.4201 5.4201 5.4449 5.4449 6.0472 6.0472 6.0625 6.0625 8.8142 8.8142 8.8160 8.8160 9.6078 9.6078 9.6404 9.6404 k = 0.1778 0.5000 0.2219 ( 3944 PWs) bands (ev): -9.4938 -9.4938 -9.4937 -9.4937 -1.1491 -1.1491 -1.1406 -1.1406 3.3633 3.3633 3.3735 3.3735 4.0918 4.0918 4.1010 4.1010 4.7876 4.7876 4.7989 4.7989 5.3183 5.3183 5.3437 5.3437 5.9931 5.9931 6.0102 6.0102 8.8214 8.8214 8.8284 8.8284 9.6303 9.6303 9.6672 9.6672 k = 0.1889 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4937 -9.4937 -9.4937 -9.4937 -1.1067 -1.1067 -1.0978 -1.0978 3.3753 3.3753 3.3856 3.3856 4.0821 4.0821 4.0907 4.0907 4.7939 4.7939 4.8058 4.8058 5.2133 5.2133 5.2383 5.2383 5.9474 5.9474 5.9655 5.9655 8.8233 8.8233 8.8345 8.8345 9.6604 9.6604 9.7006 9.7006 k = 0.2000 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4936 -9.4936 -9.4936 -9.4936 -1.0618 -1.0618 -1.0524 -1.0524 3.3850 3.3850 3.3951 3.3951 4.0735 4.0735 4.0811 4.0811 4.7933 4.7933 4.8062 4.8062 5.1111 5.1111 5.1346 5.1346 5.9081 5.9081 5.9267 5.9267 8.8209 8.8209 8.8355 8.8355 9.6970 9.6970 9.7396 9.7396 k = 0.2111 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4936 -9.4936 -9.4935 -9.4935 -1.0144 -1.0144 -1.0047 -1.0047 3.3920 3.3920 3.4018 3.4018 4.0650 4.0650 4.0711 4.0711 4.7791 4.7791 4.7938 4.7938 5.0216 5.0216 5.0422 5.0422 5.8735 5.8735 5.8924 5.8924 8.8154 8.8154 8.8324 8.8324 9.7391 9.7391 9.7829 9.7829 k = 0.2222 0.5000 0.2219 ( 3944 PWs) bands (ev): -9.4935 -9.4935 -9.4935 -9.4935 -0.9647 -0.9647 -0.9545 -0.9545 3.3960 3.3960 3.4051 3.4051 4.0550 4.0550 4.0587 4.0587 4.7404 4.7404 4.7573 4.7573 4.9592 4.9592 4.9757 4.9757 5.8426 5.8426 5.8615 5.8615 8.8075 8.8075 8.8262 8.8262 9.7856 9.7856 9.8297 9.8297 k = 0.2333 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4934 -9.4934 -9.4934 -9.4934 -0.9125 -0.9125 -0.9020 -0.9020 3.3966 3.3966 3.4047 3.4047 4.0407 4.0407 4.0410 4.0410 4.6771 4.6771 4.6943 4.6943 4.9280 4.9280 4.9416 4.9416 5.8148 5.8148 5.8336 5.8336 8.7980 8.7980 8.8177 8.8177 9.8358 9.8358 9.8794 9.8794 k = 0.2444 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4934 -9.4934 -9.4933 -9.4933 -0.8580 -0.8580 -0.8472 -0.8472 3.3933 3.3933 3.4003 3.4003 4.0140 4.0140 4.0183 4.0183 4.6067 4.6067 4.6214 4.6214 4.9156 4.9156 4.9279 4.9279 5.7896 5.7896 5.8083 5.8083 8.7873 8.7873 8.8075 8.8075 9.8889 9.8889 9.9312 9.9312 k = 0.2556 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4933 -9.4933 -9.4933 -9.4933 -0.8012 -0.8012 -0.7900 -0.7900 3.3856 3.3856 3.3911 3.3911 3.9738 3.9738 3.9839 3.9839 4.5452 4.5452 4.5557 4.5557 4.9108 4.9108 4.9226 4.9226 5.7669 5.7669 5.7853 5.7853 8.7758 8.7758 8.7961 8.7961 9.9444 9.9444 9.9847 9.9847 k = 0.2667 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 -0.7421 -0.7421 -0.7306 -0.7306 3.3725 3.3725 3.3763 3.3763 3.9184 3.9184 3.9347 3.9347 4.5005 4.5005 4.5063 4.5063 4.9087 4.9087 4.9204 4.9204 5.7466 5.7466 5.7647 5.7647 8.7638 8.7638 8.7838 8.7838 10.0018 10.0018 10.0395 10.0395 k = 0.2778 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4932 -9.4932 -9.4932 -9.4932 -0.6808 -0.6808 -0.6689 -0.6689 3.3523 3.3523 3.3543 3.3543 3.8506 3.8506 3.8724 3.8724 4.4739 4.4739 4.4756 4.4756 4.9074 4.9074 4.9189 4.9189 5.7287 5.7287 5.7465 5.7465 8.7514 8.7514 8.7708 8.7708 10.0608 10.0608 10.0953 10.0953 k = 0.2889 0.5000 0.2219 ( 3944 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 -0.6173 -0.6173 -0.6052 -0.6052 3.3225 3.3225 3.3229 3.3229 3.7769 3.7769 3.8028 3.8028 4.4611 4.4611 4.4623 4.4623 4.9059 4.9059 4.9173 4.9173 5.7133 5.7133 5.7307 5.7307 8.7386 8.7386 8.7574 8.7574 10.1209 10.1209 10.1516 10.1516 k = 0.3000 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 -0.5517 -0.5517 -0.5393 -0.5393 3.2790 3.2790 3.2795 3.2795 3.7053 3.7053 3.7335 3.7335 4.4586 4.4586 4.4618 4.4618 4.9037 4.9037 4.9150 4.9150 5.7004 5.7004 5.7174 5.7174 8.7257 8.7257 8.7437 8.7437 10.1818 10.1818 10.2081 10.2081 k = 0.3111 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 -0.4841 -0.4841 -0.4714 -0.4714 3.2198 3.2198 3.2201 3.2201 3.6432 3.6432 3.6716 3.6716 4.4643 4.4643 4.4686 4.4686 4.9007 4.9007 4.9119 4.9119 5.6901 5.6901 5.7066 5.7066 8.7127 8.7127 8.7297 8.7297 10.2431 10.2431 10.2643 10.2643 k = 0.3222 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 -0.4145 -0.4145 -0.4017 -0.4017 3.1435 3.1435 3.1448 3.1448 3.5940 3.5940 3.6209 3.6209 4.4751 4.4751 4.4800 4.4800 4.8968 4.8968 4.9079 4.9079 5.6824 5.6824 5.6982 5.6982 8.6996 8.6996 8.7156 8.7156 10.3043 10.3043 10.3197 10.3197 k = 0.3333 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 -0.3431 -0.3431 -0.3301 -0.3301 3.0524 3.0524 3.0558 3.0558 3.5572 3.5572 3.5816 3.5816 4.4889 4.4889 4.4942 4.4942 4.8920 4.8920 4.9030 4.9030 5.6773 5.6773 5.6924 5.6924 8.6865 8.6865 8.7014 8.7014 10.3648 10.3648 10.3739 10.3739 k = 0.3444 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 -0.2700 -0.2700 -0.2569 -0.2569 2.9512 2.9512 2.9567 2.9567 3.5299 3.5299 3.5516 3.5516 4.5043 4.5043 4.5099 4.5099 4.8864 4.8864 4.8972 4.8972 5.6746 5.6746 5.6890 5.6890 8.6735 8.6735 8.6873 8.6873 10.4240 10.4240 10.4261 10.4261 k = 0.3556 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 -0.1954 -0.1954 -0.1822 -0.1822 2.8437 2.8437 2.8510 2.8510 3.5092 3.5092 3.5283 3.5283 4.5204 4.5204 4.5260 4.5260 4.8802 4.8802 4.8907 4.8907 5.6742 5.6742 5.6878 5.6878 8.6606 8.6606 8.6733 8.6733 10.4756 10.4756 10.4808 10.4808 k = 0.3667 0.5000 0.2219 ( 3952 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 -0.1195 -0.1195 -0.1062 -0.1062 2.7329 2.7329 2.7417 2.7417 3.4930 3.4930 3.5099 3.5099 4.5363 4.5363 4.5421 4.5421 4.8734 4.8734 4.8836 4.8836 5.6760 5.6760 5.6887 5.6887 8.6480 8.6480 8.6597 8.6597 10.5219 10.5219 10.5343 10.5343 k = 0.3778 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 -0.0425 -0.0425 -0.0293 -0.0293 2.6211 2.6211 2.6309 2.6309 3.4800 3.4800 3.4949 3.4949 4.5517 4.5517 4.5575 4.5575 4.8662 4.8662 4.8761 4.8761 5.6795 5.6795 5.6913 5.6913 8.6358 8.6358 8.6463 8.6463 10.5642 10.5642 10.5830 10.5830 k = 0.3889 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 0.0351 0.0351 0.0483 0.0483 2.5097 2.5097 2.5202 2.5202 3.4694 3.4694 3.4825 3.4825 4.5662 4.5662 4.5719 4.5719 4.8588 4.8588 4.8684 4.8684 5.6846 5.6846 5.6954 5.6954 8.6240 8.6240 8.6335 8.6335 10.6022 10.6022 10.6257 10.6257 k = 0.4000 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4928 -9.4928 -9.4927 -9.4927 0.1131 0.1131 0.1261 0.1261 2.3999 2.3999 2.4109 2.4109 3.4606 3.4606 3.4720 3.4720 4.5795 4.5795 4.5852 4.5852 4.8515 4.8515 4.8606 4.8606 5.6908 5.6908 5.7006 5.7006 8.6128 8.6128 8.6213 8.6213 10.6360 10.6360 10.6616 10.6616 k = 0.4111 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.1907 0.1907 0.2035 0.2035 2.2931 2.2931 2.3043 2.3043 3.4533 3.4533 3.4632 3.4632 4.5916 4.5916 4.5971 4.5971 4.8444 4.8444 4.8530 4.8530 5.6977 5.6977 5.7065 5.7065 8.6024 8.6024 8.6098 8.6098 10.6656 10.6656 10.6910 10.6910 k = 0.4222 0.5000 0.2219 ( 3952 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.2673 0.2673 0.2796 0.2796 2.1904 2.1904 2.2015 2.2015 3.4471 3.4471 3.4557 3.4557 4.6023 4.6023 4.6077 4.6077 4.8377 4.8377 4.8457 4.8457 5.7051 5.7051 5.7128 5.7128 8.5928 8.5928 8.5993 8.5993 10.6914 10.6914 10.7150 10.7150 k = 0.4333 0.5000 0.2219 ( 3948 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.3416 0.3416 0.3533 0.3533 2.0932 2.0932 2.1040 2.1040 3.4421 3.4421 3.4494 3.4494 4.6117 4.6117 4.6167 4.6167 4.8315 4.8315 4.8388 4.8388 5.7124 5.7124 5.7191 5.7191 8.5843 8.5843 8.5897 8.5897 10.7138 10.7138 10.7345 10.7345 k = 0.4444 0.5000 0.2219 ( 3940 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.4122 0.4122 0.4230 0.4230 2.0033 2.0033 2.0134 2.0134 3.4381 3.4381 3.4441 3.4441 4.6198 4.6198 4.6242 4.6242 4.8262 4.8262 4.8326 4.8326 5.7194 5.7194 5.7250 5.7250 8.5768 8.5768 8.5814 8.5814 10.7330 10.7331 10.7504 10.7505 k = 0.4556 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.4771 0.4771 0.4867 0.4867 1.9230 1.9230 1.9320 1.9320 3.4350 3.4350 3.4397 3.4397 4.6264 4.6264 4.6303 4.6303 4.8217 4.8217 4.8271 4.8271 5.7258 5.7258 5.7302 5.7302 8.5706 8.5706 8.5742 8.5742 10.7492 10.7492 10.7631 10.7632 k = 0.4667 0.5000 0.2219 ( 3928 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.5337 0.5337 0.5416 0.5416 1.8550 1.8550 1.8626 1.8626 3.4328 3.4328 3.4363 3.4363 4.6318 4.6318 4.6348 4.6348 4.8183 4.8183 4.8226 4.8226 5.7311 5.7311 5.7345 5.7345 8.5658 8.5658 8.5685 8.5685 10.7622 10.7623 10.7727 10.7727 k = 0.4778 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.5785 0.5785 0.5842 0.5842 1.8030 1.8030 1.8085 1.8085 3.4313 3.4313 3.4337 3.4337 4.6357 4.6357 4.6379 4.6379 4.8161 4.8161 4.8190 4.8190 5.7353 5.7353 5.7375 5.7375 8.5624 8.5624 8.5642 8.5642 10.7722 10.7722 10.7792 10.7792 k = 0.4889 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6081 0.6081 0.6111 0.6111 1.7704 1.7704 1.7733 1.7733 3.4307 3.4307 3.4319 3.4319 4.6384 4.6384 4.6394 4.6394 4.8150 4.8150 4.8165 4.8165 5.7380 5.7380 5.7392 5.7392 8.5605 8.5605 8.5614 8.5614 10.7789 10.7789 10.7824 10.7824 k = 0.5000 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6194 0.6194 0.6194 0.6194 1.7602 1.7602 1.7602 1.7602 3.4309 3.4309 3.4309 3.4309 4.6396 4.6396 4.6396 4.6396 4.8151 4.8151 4.8151 4.8151 5.7394 5.7394 5.7394 5.7394 8.5602 8.5602 8.5602 8.5602 10.7823 10.7823 10.7823 10.7823 k = 0.5000 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6194 0.6194 0.6194 0.6194 1.7602 1.7602 1.7602 1.7602 3.4309 3.4309 3.4309 3.4309 4.6396 4.6396 4.6396 4.6396 4.8151 4.8151 4.8151 4.8151 5.7394 5.7394 5.7394 5.7394 8.5602 8.5602 8.5602 8.5602 10.7823 10.7823 10.7823 10.7823 k = 0.4922 0.4922 0.2219 ( 3936 PWs) bands (ev): -9.4928 -9.4928 -9.4925 -9.4925 0.5988 0.5988 0.6207 0.6207 1.7608 1.7608 1.7825 1.7825 3.4307 3.4307 3.4319 3.4319 4.6379 4.6379 4.6399 4.6399 4.8149 4.8149 4.8165 4.8165 5.7373 5.7373 5.7400 5.7400 8.5602 8.5602 8.5617 8.5617 10.7786 10.7786 10.7828 10.7828 k = 0.4844 0.4844 0.2219 ( 3928 PWs) bands (ev): -9.4931 -9.4931 -9.4922 -9.4922 0.5417 0.5417 0.6246 0.6246 1.7630 1.7630 1.8447 1.8447 3.4313 3.4313 3.4337 3.4337 4.6335 4.6335 4.6402 4.6402 4.8154 4.8154 4.8194 4.8194 5.7314 5.7314 5.7414 5.7414 8.5608 8.5608 8.5657 8.5657 10.7701 10.7701 10.7816 10.7816 k = 0.4766 0.4766 0.2219 ( 3932 PWs) bands (ev): -9.4937 -9.4937 -9.4916 -9.4916 0.4571 0.4571 0.6310 0.6310 1.7667 1.7667 1.9377 1.9377 3.4326 3.4326 3.4363 3.4363 4.6265 4.6265 4.6408 4.6408 4.8164 4.8164 4.8239 4.8239 5.7219 5.7219 5.7438 5.7438 8.5618 8.5618 8.5724 8.5724 10.7571 10.7571 10.7792 10.7792 k = 0.4688 0.4687 0.2219 ( 3924 PWs) bands (ev): -9.4946 -9.4946 -9.4908 -9.4908 0.3544 0.3544 0.6400 0.6400 1.7718 1.7718 2.0523 2.0523 3.4347 3.4347 3.4398 3.4398 4.6170 4.6170 4.6416 4.6416 4.8173 4.8173 4.8297 4.8297 5.7091 5.7091 5.7472 5.7472 8.5632 8.5632 8.5815 8.5815 10.7406 10.7407 10.7752 10.7752 k = 0.4609 0.4609 0.2219 ( 3940 PWs) bands (ev): -9.4957 -9.4957 -9.4898 -9.4898 0.2402 0.2402 0.6515 0.6515 1.7785 1.7785 2.1816 2.1816 3.4376 3.4376 3.4442 3.4442 4.6055 4.6055 4.6426 4.6426 4.8178 4.8178 4.8367 4.8367 5.6936 5.6936 5.7516 5.7516 8.5650 8.5650 8.5928 8.5928 10.7218 10.7218 10.7688 10.7688 k = 0.4531 0.4531 0.2219 ( 3952 PWs) bands (ev): -9.4970 -9.4970 -9.4886 -9.4886 0.1191 0.1191 0.6656 0.6656 1.7866 1.7866 2.3210 2.3210 3.4413 3.4413 3.4496 3.4496 4.5921 4.5921 4.6438 4.6438 4.8173 4.8173 4.8448 4.8448 5.6758 5.6758 5.7569 5.7569 8.5673 8.5673 8.6062 8.6062 10.7015 10.7015 10.7588 10.7588 k = 0.4453 0.4453 0.2219 ( 3954 PWs) bands (ev): -9.4986 -9.4986 -9.4871 -9.4871 -0.0061 -0.0061 0.6822 0.6822 1.7963 1.7963 2.4677 2.4677 3.4458 3.4458 3.4558 3.4558 4.5773 4.5773 4.6453 4.6453 4.8154 4.8154 4.8539 4.8539 5.6566 5.6566 5.7632 5.7632 8.5701 8.5701 8.6215 8.6215 10.6807 10.6807 10.7435 10.7435 k = 0.4375 0.4375 0.2219 ( 3962 PWs) bands (ev): -9.5004 -9.5004 -9.4855 -9.4855 -0.1335 -0.1335 0.7014 0.7014 1.8076 1.8076 2.6195 2.6195 3.4514 3.4514 3.4629 3.4629 4.5612 4.5612 4.6471 4.6471 4.8111 4.8111 4.8640 4.8640 5.6368 5.6368 5.7705 5.7705 8.5736 8.5736 8.6382 8.6382 10.6599 10.6599 10.7207 10.7207 k = 0.4297 0.4297 0.2219 ( 3966 PWs) bands (ev): -9.5026 -9.5026 -9.4838 -9.4838 -0.2619 -0.2619 0.7231 0.7231 1.8205 1.8205 2.7750 2.7750 3.4580 3.4580 3.4710 3.4710 4.5440 4.5440 4.6491 4.6491 4.8039 4.8039 4.8752 4.8752 5.6173 5.6173 5.7788 5.7788 8.5778 8.5778 8.6561 8.6561 10.6385 10.6385 10.6899 10.6899 k = 0.4219 0.4219 0.2219 ( 3956 PWs) bands (ev): -9.5050 -9.5050 -9.4818 -9.4818 -0.3905 -0.3905 0.7474 0.7474 1.8350 1.8350 2.9333 2.9333 3.4656 3.4656 3.4799 3.4799 4.5261 4.5261 4.6514 4.6514 4.7930 4.7930 4.8875 4.8875 5.5988 5.5988 5.7881 5.7881 8.5828 8.5828 8.6749 8.6749 10.6131 10.6131 10.6551 10.6551 k = 0.4141 0.4141 0.2219 ( 3956 PWs) bands (ev): -9.5076 -9.5076 -9.4798 -9.4798 -0.5187 -0.5187 0.7742 0.7742 1.8513 1.8513 3.0934 3.0934 3.4745 3.4745 3.4898 3.4898 4.5076 4.5076 4.6539 4.6539 4.7778 4.7778 4.9012 4.9012 5.5822 5.5822 5.7984 5.7984 8.5889 8.5889 8.6942 8.6942 10.5738 10.5738 10.6275 10.6275 k = 0.4062 0.4062 0.2219 ( 3952 PWs) bands (ev): -9.5106 -9.5106 -9.4776 -9.4776 -0.6460 -0.6460 0.8035 0.8035 1.8692 1.8692 3.2542 3.2542 3.4846 3.4846 3.5005 3.5005 4.4888 4.4888 4.6566 4.6566 4.7579 4.7579 4.9164 4.9164 5.5681 5.5681 5.8096 5.8096 8.5962 8.5962 8.7138 8.7138 10.5196 10.5196 10.6099 10.6099 k = 0.3984 0.3984 0.2219 ( 3956 PWs) bands (ev): -9.5139 -9.5139 -9.4753 -9.4753 -0.7722 -0.7722 0.8353 0.8353 1.8890 1.8890 3.4141 3.4141 3.4968 3.4968 3.5122 3.5122 4.4701 4.4701 4.6594 4.6594 4.7333 4.7333 4.9337 4.9337 5.5567 5.5567 5.8219 5.8219 8.6050 8.6050 8.7334 8.7334 10.4567 10.4567 10.5961 10.5961 k = 0.3906 0.3906 0.2219 ( 3956 PWs) bands (ev): -9.5174 -9.5174 -9.4729 -9.4729 -0.8970 -0.8970 0.8696 0.8696 1.9106 1.9106 3.5052 3.5052 3.5246 3.5246 3.5779 3.5779 4.4520 4.4520 4.6615 4.6615 4.7048 4.7048 4.9534 4.9534 5.5481 5.5481 5.8351 5.8351 8.6154 8.6154 8.7528 8.7528 10.3881 10.3881 10.5736 10.5736 k = 0.3828 0.3828 0.2219 ( 3952 PWs) bands (ev): -9.5213 -9.5213 -9.4705 -9.4705 -1.0202 -1.0202 0.9064 0.9064 1.9340 1.9340 3.5200 3.5200 3.5381 3.5381 3.7332 3.7332 4.4354 4.4354 4.6555 4.6555 4.6799 4.6799 4.9764 4.9764 5.5423 5.5423 5.8493 5.8493 8.6276 8.6276 8.7719 8.7719 10.3151 10.3151 10.5235 10.5235 k = 0.3750 0.3750 0.2219 ( 3960 PWs) bands (ev): -9.5255 -9.5255 -9.4681 -9.4681 -1.1417 -1.1417 0.9457 0.9457 1.9593 1.9593 3.5349 3.5349 3.5524 3.5524 3.8837 3.8837 4.4222 4.4222 4.6238 4.6238 4.6768 4.6768 5.0037 5.0037 5.5388 5.5388 5.8645 5.8645 8.6420 8.6420 8.7906 8.7906 10.2384 10.2384 10.4663 10.4663 k = 0.3672 0.3672 0.2219 ( 3958 PWs) bands (ev): -9.5300 -9.5300 -9.4656 -9.4656 -1.2613 -1.2613 0.9875 0.9875 1.9866 1.9866 3.5506 3.5506 3.5676 3.5676 4.0226 4.0226 4.4164 4.4164 4.5824 4.5824 4.6804 4.6804 5.0370 5.0370 5.5371 5.5371 5.8806 5.8806 8.6588 8.6588 8.8088 8.8088 10.1586 10.1586 10.4067 10.4067 k = 0.3594 0.3594 0.2219 ( 3954 PWs) bands (ev): -9.5349 -9.5349 -9.4631 -9.4631 -1.3790 -1.3790 1.0317 1.0317 2.0159 2.0159 3.5673 3.5673 3.5836 3.5836 4.1372 4.1372 4.4281 4.4281 4.5372 4.5372 4.6854 4.6854 5.0785 5.0785 5.5367 5.5367 5.8977 5.8977 8.6781 8.6781 8.8267 8.8267 10.0761 10.0761 10.3455 10.3455 k = 0.3516 0.3516 0.2219 ( 3962 PWs) bands (ev): -9.5401 -9.5401 -9.4607 -9.4607 -1.4947 -1.4947 1.0784 1.0784 2.0471 2.0471 3.5847 3.5847 3.6005 3.6005 4.2074 4.2074 4.4736 4.4736 4.4902 4.4902 4.6911 4.6911 5.1315 5.1315 5.5370 5.5370 5.9156 5.9156 8.7002 8.7002 8.8444 8.8444 9.9912 9.9912 10.2831 10.2831 k = 0.3438 0.3437 0.2219 ( 3962 PWs) bands (ev): -9.5456 -9.5456 -9.4583 -9.4583 -1.6083 -1.6083 1.1275 1.1275 2.0804 2.0804 3.6028 3.6028 3.6181 3.6181 4.2314 4.2314 4.4406 4.4406 4.5525 4.5525 4.6977 4.6977 5.1996 5.1996 5.5374 5.5374 5.9344 5.9344 8.7251 8.7251 8.8620 8.8620 9.9041 9.9041 10.2196 10.2196 k = 0.3359 0.3359 0.2219 ( 3966 PWs) bands (ev): -9.5515 -9.5515 -9.4560 -9.4560 -1.7197 -1.7197 1.1790 1.1790 2.1157 2.1157 3.6214 3.6214 3.6363 3.6363 4.2311 4.2311 4.3915 4.3915 4.6368 4.6368 4.7055 4.7055 5.2861 5.2861 5.5376 5.5376 5.9541 5.9541 8.7531 8.7531 8.8799 8.8799 9.8151 9.8151 10.1555 10.1555 k = 0.3281 0.3281 0.2219 ( 3966 PWs) bands (ev): -9.5576 -9.5576 -9.4539 -9.4539 -1.8288 -1.8288 1.2330 1.2330 2.1531 2.1531 3.6403 3.6403 3.6546 3.6546 4.2211 4.2211 4.3430 4.3430 4.7015 4.7015 4.7247 4.7247 5.3920 5.3920 5.5372 5.5372 5.9744 5.9744 8.7841 8.7841 8.8982 8.8982 9.7244 9.7244 10.0907 10.0907 k = 0.3203 0.3203 0.2219 ( 3966 PWs) bands (ev): -9.5642 -9.5642 -9.4518 -9.4518 -1.9358 -1.9358 1.2893 1.2893 2.1926 2.1926 3.6592 3.6592 3.6728 3.6728 4.2071 4.2071 4.2965 4.2965 4.7168 4.7168 4.7812 4.7812 5.5141 5.5141 5.5367 5.5367 5.9955 5.9955 8.8182 8.8182 8.9173 8.9173 9.6321 9.6321 10.0257 10.0257 k = 0.3125 0.3125 0.2219 ( 3974 PWs) bands (ev): -9.5710 -9.5710 -9.4498 -9.4498 -2.0404 -2.0404 1.3480 1.3480 2.2340 2.2340 3.6773 3.6773 3.6907 3.6907 4.1914 4.1914 4.2533 4.2533 4.7261 4.7261 4.8329 4.8329 5.5323 5.5323 5.6521 5.6521 6.0173 6.0173 8.8551 8.8551 8.9377 8.9377 9.5385 9.5385 9.9606 9.9606 k = 0.3047 0.3047 0.2219 ( 3970 PWs) bands (ev): -9.5782 -9.5782 -9.4481 -9.4481 -2.1427 -2.1427 1.4090 1.4090 2.2774 2.2774 3.6924 3.6924 3.7092 3.7092 4.1749 4.1749 4.2153 4.2153 4.7355 4.7355 4.8767 4.8767 5.5282 5.5282 5.7972 5.7972 6.0398 6.0398 8.8947 8.8947 8.9596 8.9596 9.4438 9.4438 9.8956 9.8956 k = 0.2969 0.2969 0.2219 ( 3964 PWs) bands (ev): -9.5856 -9.5856 -9.4465 -9.4465 -2.2426 -2.2426 1.4723 1.4723 2.3228 2.3228 3.7020 3.7020 3.7293 3.7293 4.1578 4.1578 4.1848 4.1848 4.7454 4.7454 4.9148 4.9148 5.5224 5.5224 5.9470 5.9470 6.0635 6.0635 8.9364 8.9364 8.9836 8.9836 9.3481 9.3481 9.8309 9.8309 k = 0.2891 0.2891 0.2219 ( 3974 PWs) bands (ev): -9.5934 -9.5934 -9.4450 -9.4450 -2.3401 -2.3401 1.5380 1.5380 2.3699 2.3699 3.7044 3.7044 3.7507 3.7507 4.1411 4.1411 4.1632 4.1632 4.7559 4.7559 4.9488 4.9488 5.5151 5.5151 6.0746 6.0746 6.1125 6.1125 8.9788 8.9788 9.0107 9.0107 9.2521 9.2521 9.7668 9.7668 k = 0.2812 0.2812 0.2219 ( 3974 PWs) bands (ev): -9.6015 -9.6015 -9.4438 -9.4438 -2.4351 -2.4351 1.6059 1.6059 2.4188 2.4188 3.6987 3.6987 3.7732 3.7732 4.1272 4.1272 4.1499 4.1499 4.7669 4.7669 4.9801 4.9801 5.5063 5.5063 6.1052 6.1052 6.2594 6.2594 9.0180 9.0180 9.0419 9.0419 9.1586 9.1586 9.7034 9.7034 k = 0.2734 0.2734 0.2219 ( 3974 PWs) bands (ev): -9.6098 -9.6098 -9.4428 -9.4428 -2.5277 -2.5277 1.6761 1.6761 2.4692 2.4692 3.6849 3.6849 3.7965 3.7965 4.1159 4.1159 4.1459 4.1459 4.7787 4.7787 5.0095 5.0095 5.4960 5.4960 6.1289 6.1289 6.4122 6.4122 9.0301 9.0301 9.0596 9.0596 9.1087 9.1087 9.6411 9.6411 k = 0.2656 0.2656 0.2219 ( 3972 PWs) bands (ev): -9.6184 -9.6184 -9.4420 -9.4420 -2.6178 -2.6178 1.7485 1.7485 2.5209 2.5209 3.6641 3.6641 3.8205 3.8205 4.1054 4.1054 4.1524 4.1524 4.7911 4.7911 5.0375 5.0375 5.4844 5.4844 6.1520 6.1520 6.5634 6.5634 8.9446 8.9446 9.0899 9.0899 9.1466 9.1466 9.5800 9.5800 k = 0.2578 0.2578 0.2219 ( 3966 PWs) bands (ev): -9.6273 -9.6273 -9.4415 -9.4415 -2.7054 -2.7054 1.8231 1.8231 2.5735 2.5735 3.6382 3.6382 3.8452 3.8452 4.0956 4.0956 4.1679 4.1679 4.8042 4.8042 5.0643 5.0643 5.4716 5.4716 6.1746 6.1746 6.7114 6.7114 8.8461 8.8461 9.1239 9.1239 9.1955 9.1955 9.5206 9.5206 k = 0.2500 0.2500 0.2219 ( 3962 PWs) bands (ev): -9.6363 -9.6363 -9.4411 -9.4411 -2.7905 -2.7905 1.8998 1.8998 2.6267 2.6267 3.6095 3.6095 3.8706 3.8706 4.0869 4.0869 4.1906 4.1906 4.8180 4.8180 5.0902 5.0902 5.4577 5.4577 6.1966 6.1966 6.8553 6.8553 8.7455 8.7455 9.1591 9.1591 9.2454 9.2454 9.4632 9.4632 k = 0.2422 0.2422 0.2219 ( 3966 PWs) bands (ev): -9.6456 -9.6456 -9.4411 -9.4411 -2.8731 -2.8731 1.9787 1.9787 2.6799 2.6799 3.5801 3.5801 3.8966 3.8966 4.0794 4.0794 4.2185 4.2185 4.8325 4.8325 5.1152 5.1152 5.4431 5.4431 6.2178 6.2178 6.9940 6.9940 8.6437 8.6437 9.1943 9.1943 9.2931 9.2931 9.4093 9.4093 k = 0.2344 0.2344 0.2219 ( 3968 PWs) bands (ev): -9.6550 -9.6550 -9.4412 -9.4412 -2.9531 -2.9531 2.0597 2.0597 2.7322 2.7322 3.5519 3.5519 3.9233 3.9233 4.0736 4.0736 4.2502 4.2502 4.8477 4.8477 5.1393 5.1393 5.4278 5.4278 6.2380 6.2380 7.1269 7.1269 8.5411 8.5411 9.2272 9.2272 9.3251 9.3251 9.3707 9.3707 k = 0.2266 0.2266 0.2219 ( 3960 PWs) bands (ev): -9.6646 -9.6646 -9.4416 -9.4416 -3.0305 -3.0305 2.1428 2.1428 2.7825 2.7825 3.5268 3.5268 3.9505 3.9505 4.0693 4.0693 4.2848 4.2848 4.8636 4.8636 5.1623 5.1623 5.4121 5.4121 6.2570 6.2570 7.2533 7.2533 8.4378 8.4378 9.2526 9.2526 9.2960 9.2960 9.3918 9.3918 k = 0.2188 0.2187 0.2219 ( 3956 PWs) bands (ev): -9.6743 -9.6743 -9.4422 -9.4422 -3.1053 -3.1053 2.2279 2.2279 2.8295 2.8295 3.5069 3.5069 3.9784 3.9784 4.0669 4.0669 4.3216 4.3216 4.8801 4.8801 5.1842 5.1842 5.3963 5.3963 6.2746 6.2746 7.3729 7.3729 8.3339 8.3339 9.2419 9.2419 9.2762 9.2762 9.4222 9.4222 k = 0.2109 0.2109 0.2219 ( 3968 PWs) bands (ev): -9.6841 -9.6841 -9.4431 -9.4431 -3.1775 -3.1775 2.3150 2.3150 2.8712 2.8712 3.4943 3.4943 4.0068 4.0068 4.0663 4.0663 4.3599 4.3599 4.8974 4.8974 5.2048 5.2048 5.3805 5.3805 6.2904 6.2904 7.4852 7.4852 8.2295 8.2295 9.1993 9.1993 9.2723 9.2723 9.4418 9.4418 k = 0.2031 0.2031 0.2219 ( 3968 PWs) bands (ev): -9.6939 -9.6939 -9.4441 -9.4441 -3.2471 -3.2471 2.4041 2.4041 2.9056 2.9056 3.4912 3.4912 4.0357 4.0357 4.0677 4.0677 4.3992 4.3992 4.9153 4.9153 5.2238 5.2238 5.3651 5.3651 6.3042 6.3042 7.5902 7.5902 8.1247 8.1247 9.1573 9.1573 9.2520 9.2520 9.4463 9.4463 k = 0.1953 0.1953 0.2219 ( 3968 PWs) bands (ev): -9.7038 -9.7038 -9.4454 -9.4454 -3.3141 -3.3141 2.4950 2.4950 2.9308 2.9308 3.4995 3.4995 4.0637 4.0637 4.0725 4.0725 4.4392 4.4392 4.9338 4.9338 5.2411 5.2411 5.3502 5.3502 6.3159 6.3159 7.6880 7.6880 8.0194 8.0194 9.1181 9.1181 9.2182 9.2182 9.4344 9.4344 k = 0.1875 0.1875 0.2219 ( 3968 PWs) bands (ev): -9.7136 -9.7136 -9.4469 -9.4469 -3.3785 -3.3785 2.5878 2.5878 2.9458 2.9458 3.5203 3.5203 4.0749 4.0749 4.0966 4.0966 4.4796 4.4796 4.9529 4.9529 5.2564 5.2564 5.3362 5.3362 6.3251 6.3251 7.7784 7.7784 7.9140 7.9140 9.0822 9.0822 9.1768 9.1768 9.4080 9.4080 k = 0.1797 0.1797 0.2219 ( 3964 PWs) bands (ev): -9.7234 -9.7234 -9.4485 -9.4485 -3.4403 -3.4403 2.6824 2.6824 2.9511 2.9511 3.5528 3.5528 4.0824 4.0824 4.1269 4.1269 4.5200 4.5200 4.9725 4.9725 5.2694 5.2694 5.3233 5.3233 6.3317 6.3317 7.8047 7.8047 7.8658 7.8658 9.0497 9.0497 9.1323 9.1323 9.3707 9.3707 k = 0.1719 0.1719 0.2219 ( 3976 PWs) bands (ev): -9.7331 -9.7331 -9.4503 -9.4503 -3.4994 -3.4994 2.7787 2.7787 2.9482 2.9482 3.5955 3.5955 4.0917 4.0917 4.1579 4.1579 4.5602 4.5602 4.9926 4.9926 5.2799 5.2799 5.3117 5.3117 6.3355 6.3355 7.6994 7.6994 7.9425 7.9425 9.0205 9.0205 9.0879 9.0879 9.3262 9.3262 k = 0.1641 0.1641 0.2219 ( 3972 PWs) bands (ev): -9.7427 -9.7427 -9.4522 -9.4522 -3.5559 -3.5559 2.8765 2.8765 2.9394 2.9394 3.6460 3.6460 4.1030 4.1030 4.1894 4.1894 4.5999 4.5999 5.0131 5.0131 5.2876 5.2876 5.3018 5.3018 6.3365 6.3365 7.5924 7.5924 8.0149 8.0149 8.9942 8.9942 9.0458 9.0458 9.2774 9.2774 k = 0.1562 0.1562 0.2219 ( 3976 PWs) bands (ev): -9.7522 -9.7522 -9.4543 -9.4543 -3.6098 -3.6098 2.9248 2.9248 2.9774 2.9774 3.7021 3.7021 4.1163 4.1163 4.2213 4.2213 4.6389 4.6389 5.0340 5.0340 5.2919 5.2919 5.2942 5.2942 6.3344 6.3344 7.4848 7.4848 8.0824 8.0824 8.9691 8.9691 9.0088 9.0088 9.2265 9.2265 k = 0.1484 0.1484 0.2219 ( 3976 PWs) bands (ev): -9.7615 -9.7615 -9.4565 -9.4565 -3.6610 -3.6610 2.9091 2.9091 3.0783 3.0783 3.7617 3.7617 4.1317 4.1317 4.2535 4.2535 4.6770 4.6770 5.0552 5.0552 5.2878 5.2878 5.2941 5.2941 6.3294 6.3294 7.3767 7.3767 8.1453 8.1453 8.9423 8.9423 8.9805 8.9805 9.1749 9.1749 k = 0.1406 0.1406 0.2219 ( 3978 PWs) bands (ev): -9.7705 -9.7705 -9.4587 -9.4587 -3.7096 -3.7096 2.8914 2.8914 3.1811 3.1811 3.8233 3.8233 4.1492 4.1492 4.2859 4.2859 4.7142 4.7142 5.0765 5.0765 5.2843 5.2843 5.2923 5.2923 6.3215 6.3215 7.2682 7.2682 8.2039 8.2039 8.9130 8.9130 8.9618 8.9618 9.1237 9.1237 k = 0.1328 0.1328 0.2219 ( 3982 PWs) bands (ev): -9.7793 -9.7793 -9.4610 -9.4610 -3.7555 -3.7555 2.8730 2.8730 3.2853 3.2853 3.8856 3.8856 4.1687 4.1687 4.3184 4.3184 4.7503 4.7503 5.0979 5.0979 5.2832 5.2832 5.2872 5.2872 6.3107 6.3107 7.1592 7.1592 8.2585 8.2585 8.8844 8.8844 8.9497 8.9497 9.0741 9.0741 k = 0.1250 0.1250 0.2219 ( 3984 PWs) bands (ev): -9.7878 -9.7878 -9.4633 -9.4633 -3.7988 -3.7988 2.8544 2.8544 3.3910 3.3910 3.9472 3.9472 4.1902 4.1902 4.3510 4.3510 4.7854 4.7854 5.1192 5.1192 5.2784 5.2784 5.2849 5.2849 6.2973 6.2973 7.0498 7.0498 8.3093 8.3093 8.8586 8.8586 8.9411 8.9411 9.0276 9.0276 k = 0.1172 0.1172 0.2219 ( 3984 PWs) bands (ev): -9.7960 -9.7960 -9.4657 -9.4657 -3.8395 -3.8395 2.8361 2.8361 3.4979 3.4979 4.0073 4.0073 4.2137 4.2137 4.3835 4.3835 4.8195 4.8195 5.1403 5.1403 5.2662 5.2662 5.2892 5.2892 6.2814 6.2814 6.9400 6.9400 8.3561 8.3561 8.8363 8.8363 8.9319 8.9319 8.9880 8.9880 k = 0.1094 0.1094 0.2219 ( 3986 PWs) bands (ev): -9.8038 -9.8038 -9.4680 -9.4680 -3.8775 -3.8775 2.8184 2.8184 3.6061 3.6061 4.0648 4.0648 4.2392 4.2392 4.4158 4.4158 4.8529 4.8529 5.1610 5.1610 5.2506 5.2506 5.2960 5.2960 6.2634 6.2634 6.8297 6.8297 8.3985 8.3985 8.8173 8.8173 8.9131 8.9131 8.9652 8.9652 k = 0.1016 0.1016 0.2219 ( 3986 PWs) bands (ev): -9.8112 -9.8112 -9.4703 -9.4703 -3.9129 -3.9129 2.8015 2.8015 3.7154 3.7154 4.1189 4.1189 4.2665 4.2665 4.4476 4.4476 4.8856 4.8856 5.1811 5.1811 5.2317 5.2317 5.3053 5.3053 6.2436 6.2436 6.7189 6.7189 8.4361 8.4361 8.7998 8.7998 8.8855 8.8855 8.9605 8.9605 k = 0.0938 0.0937 0.2219 ( 3978 PWs) bands (ev): -9.8182 -9.8182 -9.4725 -9.4725 -3.9456 -3.9456 2.7856 2.7856 3.8257 3.8257 4.1689 4.1689 4.2957 4.2957 4.4789 4.4789 4.9180 4.9180 5.1981 5.1981 5.2119 5.2119 5.3167 5.3167 6.2224 6.2224 6.6078 6.6078 8.4683 8.4683 8.7796 8.7796 8.8640 8.8640 8.9636 8.9636 k = 0.0859 0.0859 0.2219 ( 3978 PWs) bands (ev): -9.8248 -9.8248 -9.4746 -9.4746 -3.9758 -3.9758 2.7707 2.7707 3.9369 3.9369 4.2142 4.2142 4.3266 4.3266 4.5094 4.5094 4.9499 4.9499 5.1820 5.1820 5.2215 5.2215 5.3298 5.3298 6.2001 6.2001 6.4963 6.4963 8.4945 8.4945 8.7534 8.7534 8.8561 8.8561 8.9701 8.9701 k = 0.0781 0.0781 0.2219 ( 3984 PWs) bands (ev): -9.8309 -9.8309 -9.4767 -9.4767 -4.0032 -4.0032 2.7570 2.7570 4.0490 4.0490 4.2546 4.2546 4.3592 4.3592 4.5389 4.5389 4.9815 4.9815 5.1540 5.1540 5.2389 5.2389 5.3444 5.3444 6.1774 6.1774 6.3845 6.3845 8.5147 8.5147 8.7229 8.7229 8.8611 8.8611 8.9787 8.9787 k = 0.0703 0.0703 0.2219 ( 3992 PWs) bands (ev): -9.8365 -9.8365 -9.4786 -9.4786 -4.0281 -4.0281 2.7445 2.7445 4.1618 4.1618 4.2898 4.2898 4.3933 4.3933 4.5671 4.5671 5.0124 5.0124 5.1231 5.1231 5.2555 5.2555 5.3598 5.3598 6.1545 6.1545 6.2724 6.2724 8.5293 8.5293 8.6915 8.6915 8.8750 8.8750 8.9887 8.9887 k = 0.0625 0.0625 0.2219 ( 3992 PWs) bands (ev): -9.8416 -9.8416 -9.4804 -9.4804 -4.0503 -4.0503 2.7333 2.7333 4.2751 4.2751 4.3199 4.3199 4.4289 4.4289 4.5937 4.5937 5.0423 5.0423 5.0897 5.0897 5.2708 5.2708 5.3757 5.3757 6.1320 6.1320 6.1604 6.1604 8.5395 8.5395 8.6612 8.6612 8.8946 8.8946 8.9994 8.9994 k = 0.0547 0.0547 0.2219 ( 3996 PWs) bands (ev): -9.8461 -9.8461 -9.4820 -9.4820 -4.0700 -4.0700 2.7233 2.7233 4.3451 4.3451 4.3886 4.3886 4.4659 4.4659 4.6184 4.6184 5.0540 5.0540 5.0708 5.0708 5.2843 5.2843 5.3916 5.3916 6.0482 6.0482 6.1108 6.1108 8.5462 8.5462 8.6330 8.6330 8.9170 8.9170 9.0106 9.0106 k = 0.0469 0.0469 0.2219 ( 3988 PWs) bands (ev): -9.8500 -9.8500 -9.4834 -9.4834 -4.0869 -4.0869 2.7147 2.7147 4.3659 4.3659 4.4974 4.4974 4.5089 4.5089 4.6410 4.6410 5.0171 5.0171 5.0966 5.0966 5.2957 5.2957 5.4069 5.4069 5.9368 5.9368 6.0908 6.0908 8.5505 8.5505 8.6075 8.6075 8.9400 8.9400 9.0219 9.0219 k = 0.0391 0.0391 0.2219 ( 3992 PWs) bands (ev): -9.8534 -9.8534 -9.4846 -9.4846 -4.1013 -4.1013 2.7074 2.7074 4.3826 4.3826 4.5414 4.5414 4.6173 4.6173 4.6611 4.6611 4.9787 4.9787 5.1197 5.1197 5.3042 5.3042 5.4211 5.4211 5.8267 5.8267 6.0728 6.0728 8.5532 8.5532 8.5853 8.5853 8.9616 8.9616 9.0333 9.0333 k = 0.0312 0.0312 0.2219 ( 4000 PWs) bands (ev): -9.8562 -9.8562 -9.4856 -9.4856 -4.1131 -4.1131 2.7014 2.7014 4.3955 4.3955 4.5805 4.5805 4.6779 4.6779 4.7310 4.7310 4.9395 4.9395 5.1394 5.1394 5.3084 5.3084 5.4334 5.4334 5.7194 5.7194 6.0573 6.0573 8.5548 8.5548 8.5667 8.5667 8.9802 8.9802 9.0443 9.0443 k = 0.0234 0.0234 0.2219 ( 4004 PWs) bands (ev): -9.8584 -9.8584 -9.4864 -9.4864 -4.1222 -4.1222 2.6967 2.6967 4.4052 4.4052 4.6189 4.6189 4.6923 4.6923 4.8434 4.8434 4.9003 4.9003 5.1550 5.1550 5.3054 5.3054 5.4432 5.4432 5.6189 5.6189 6.0447 6.0447 8.5511 8.5511 8.5566 8.5566 8.9948 8.9948 9.0544 9.0544 k = 0.0156 0.0156 0.2219 ( 4012 PWs) bands (ev): -9.8599 -9.8599 -9.4870 -9.4870 -4.1288 -4.1288 2.6933 2.6933 4.4119 4.4119 4.6544 4.6544 4.7045 4.7045 4.8622 4.8622 4.9542 4.9542 5.1664 5.1664 5.2874 5.2874 5.4488 5.4488 5.5346 5.5346 6.0354 6.0354 8.5406 8.5406 8.5568 8.5568 9.0050 9.0050 9.0629 9.0629 k = 0.0078 0.0078 0.2219 ( 4020 PWs) bands (ev): -9.8609 -9.8609 -9.4874 -9.4874 -4.1327 -4.1327 2.6913 2.6913 4.4158 4.4158 4.6809 4.6809 4.7169 4.7169 4.8292 4.8292 5.0606 5.0606 5.1733 5.1733 5.2411 5.2411 5.4457 5.4457 5.4863 5.4863 6.0297 6.0297 8.5341 8.5341 8.5571 8.5571 9.0109 9.0109 9.0685 9.0685 k = 0.0000 0.0000 0.2219 ( 4026 PWs) bands (ev): -9.8612 -9.8612 -9.4875 -9.4875 -4.1340 -4.1340 2.6907 2.6907 4.4171 4.4171 4.6898 4.6898 4.7257 4.7257 4.8136 4.8136 5.1451 5.1451 5.1731 5.1731 5.1782 5.1782 5.4392 5.4392 5.4764 5.4764 6.0278 6.0278 8.5319 8.5319 8.5572 8.5572 9.0129 9.0129 9.0705 9.0705 k = 0.0000 0.5000-0.0000 ( 3970 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4470 -1.4470 -1.4470 -1.4470 2.8790 2.8790 2.8790 2.8790 4.4379 4.4379 4.4379 4.4379 4.7038 4.7038 4.7038 4.7038 6.1089 6.1089 6.1089 6.1089 7.3246 7.3246 7.3246 7.3246 7.9726 7.9726 7.9726 7.9726 10.3872 10.3872 10.3872 10.3872 k = 0.0000 0.5000 0.0111 ( 3954 PWs) bands (ev): -9.4950 -9.4950 -9.4950 -9.4950 -1.4472 -1.4472 -1.4472 -1.4472 2.8805 2.8805 2.8805 2.8805 4.4378 4.4378 4.4378 4.4378 4.7027 4.7027 4.7027 4.7027 6.1078 6.1078 6.1078 6.1078 7.3253 7.3253 7.3253 7.3253 7.9730 7.9730 7.9730 7.9730 10.3849 10.3849 10.3849 10.3849 k = 0.0000 0.5000 0.0222 ( 3946 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4478 -1.4478 -1.4478 -1.4478 2.8852 2.8852 2.8852 2.8852 4.4375 4.4375 4.4375 4.4375 4.6994 4.6994 4.6994 4.6994 6.1045 6.1045 6.1045 6.1045 7.3271 7.3271 7.3271 7.3271 7.9742 7.9742 7.9742 7.9742 10.3781 10.3781 10.3781 10.3781 k = 0.0000 0.5000 0.0333 ( 3950 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4488 -1.4488 -1.4488 -1.4488 2.8929 2.8929 2.8929 2.8929 4.4371 4.4371 4.4371 4.4371 4.6939 4.6939 4.6939 4.6939 6.0991 6.0991 6.0991 6.0991 7.3301 7.3301 7.3301 7.3301 7.9762 7.9762 7.9762 7.9762 10.3670 10.3670 10.3670 10.3671 k = 0.0000 0.5000 0.0444 ( 3940 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4501 -1.4501 -1.4501 -1.4501 2.9034 2.9034 2.9034 2.9034 4.4365 4.4365 4.4365 4.4365 4.6863 4.6863 4.6863 4.6863 6.0917 6.0917 6.0917 6.0917 7.3342 7.3342 7.3342 7.3342 7.9790 7.9790 7.9790 7.9790 10.3521 10.3521 10.3521 10.3521 k = 0.0000 0.5000 0.0555 ( 3950 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4518 -1.4518 -1.4518 -1.4518 2.9167 2.9167 2.9167 2.9167 4.4358 4.4358 4.4358 4.4358 4.6767 4.6767 4.6767 4.6767 6.0826 6.0826 6.0826 6.0826 7.3394 7.3394 7.3394 7.3394 7.9825 7.9825 7.9825 7.9825 10.3339 10.3339 10.3339 10.3339 k = 0.0000 0.5000 0.0666 ( 3954 PWs) bands (ev): -9.4949 -9.4949 -9.4949 -9.4949 -1.4537 -1.4537 -1.4537 -1.4537 2.9326 2.9326 2.9326 2.9326 4.4349 4.4349 4.4349 4.4349 4.6652 4.6652 4.6652 4.6652 6.0719 6.0719 6.0719 6.0719 7.3454 7.3454 7.3454 7.3454 7.9868 7.9868 7.9868 7.9868 10.3128 10.3128 10.3128 10.3128 k = 0.0000 0.5000 0.0777 ( 3960 PWs) bands (ev): -9.4948 -9.4948 -9.4948 -9.4948 -1.4559 -1.4559 -1.4559 -1.4559 2.9506 2.9506 2.9506 2.9506 4.4340 4.4340 4.4340 4.4340 4.6519 4.6519 4.6519 4.6519 6.0599 6.0599 6.0599 6.0599 7.3522 7.3522 7.3522 7.3522 7.9917 7.9917 7.9917 7.9917 10.2897 10.2897 10.2897 10.2897 k = 0.0000 0.5000 0.0888 ( 3960 PWs) bands (ev): -9.4948 -9.4948 -9.4948 -9.4948 -1.4583 -1.4583 -1.4583 -1.4583 2.9705 2.9705 2.9705 2.9705 4.4330 4.4330 4.4330 4.4330 4.6370 4.6370 4.6370 4.6370 6.0470 6.0470 6.0470 6.0470 7.3597 7.3597 7.3597 7.3597 7.9973 7.9973 7.9973 7.9973 10.2651 10.2651 10.2651 10.2651 k = 0.0000 0.5000 0.0999 ( 3940 PWs) bands (ev): -9.4947 -9.4947 -9.4947 -9.4947 -1.4607 -1.4607 -1.4607 -1.4607 2.9920 2.9920 2.9920 2.9920 4.4319 4.4319 4.4319 4.4319 4.6208 4.6208 4.6208 4.6208 6.0335 6.0335 6.0335 6.0335 7.3676 7.3676 7.3676 7.3676 8.0033 8.0033 8.0033 8.0033 10.2398 10.2398 10.2398 10.2398 k = 0.0000 0.5000 0.1110 ( 3936 PWs) bands (ev): -9.4947 -9.4947 -9.4947 -9.4947 -1.4632 -1.4632 -1.4632 -1.4632 3.0146 3.0146 3.0146 3.0146 4.4308 4.4308 4.4308 4.4308 4.6036 4.6036 4.6036 4.6036 6.0197 6.0197 6.0197 6.0197 7.3758 7.3758 7.3758 7.3758 8.0096 8.0096 8.0096 8.0096 10.2144 10.2144 10.2144 10.2144 k = 0.0000 0.5000 0.1221 ( 3944 PWs) bands (ev): -9.4946 -9.4946 -9.4946 -9.4946 -1.4657 -1.4657 -1.4657 -1.4657 3.0378 3.0378 3.0378 3.0378 4.4297 4.4297 4.4297 4.4297 4.5856 4.5856 4.5856 4.5856 6.0060 6.0060 6.0060 6.0060 7.3840 7.3840 7.3840 7.3840 8.0162 8.0162 8.0162 8.0162 10.1894 10.1894 10.1894 10.1894 k = 0.0000 0.5000 0.1332 ( 3936 PWs) bands (ev): -9.4946 -9.4946 -9.4946 -9.4946 -1.4682 -1.4682 -1.4682 -1.4682 3.0610 3.0610 3.0610 3.0610 4.4286 4.4286 4.4286 4.4286 4.5674 4.5674 4.5674 4.5674 5.9926 5.9926 5.9926 5.9926 7.3921 7.3921 7.3921 7.3921 8.0228 8.0228 8.0228 8.0228 10.1655 10.1655 10.1656 10.1656 k = 0.0000 0.5000 0.1443 ( 3940 PWs) bands (ev): -9.4946 -9.4946 -9.4946 -9.4946 -1.4705 -1.4705 -1.4705 -1.4705 3.0837 3.0837 3.0837 3.0837 4.4275 4.4275 4.4275 4.4275 4.5494 4.5494 4.5494 4.5494 5.9801 5.9801 5.9801 5.9801 7.3999 7.3999 7.3999 7.3999 8.0293 8.0293 8.0293 8.0293 10.1432 10.1432 10.1432 10.1432 k = 0.0000 0.5000 0.1554 ( 3944 PWs) bands (ev): -9.4945 -9.4945 -9.4945 -9.4945 -1.4726 -1.4726 -1.4726 -1.4726 3.1052 3.1052 3.1052 3.1052 4.4266 4.4266 4.4266 4.4266 4.5322 4.5322 4.5322 4.5322 5.9685 5.9685 5.9685 5.9685 7.4071 7.4071 7.4071 7.4071 8.0354 8.0354 8.0354 8.0354 10.1229 10.1229 10.1230 10.1230 k = 0.0000 0.5000 0.1665 ( 3934 PWs) bands (ev): -9.4945 -9.4945 -9.4945 -9.4945 -1.4745 -1.4745 -1.4745 -1.4745 3.1250 3.1250 3.1250 3.1250 4.4257 4.4257 4.4257 4.4257 4.5162 4.5162 4.5162 4.5162 5.9583 5.9583 5.9583 5.9583 7.4136 7.4136 7.4136 7.4136 8.0410 8.0410 8.0410 8.0410 10.1051 10.1051 10.1051 10.1051 k = 0.0000 0.5000 0.1776 ( 3926 PWs) bands (ev): -9.4945 -9.4945 -9.4945 -9.4945 -1.4761 -1.4761 -1.4761 -1.4761 3.1423 3.1423 3.1423 3.1423 4.4249 4.4249 4.4249 4.4249 4.5021 4.5021 4.5021 4.5021 5.9496 5.9496 5.9496 5.9496 7.4192 7.4192 7.4192 7.4192 8.0459 8.0459 8.0459 8.0459 10.0900 10.0900 10.0900 10.0901 k = 0.0000 0.5000 0.1887 ( 3922 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4774 -1.4774 -1.4774 -1.4774 3.1565 3.1565 3.1565 3.1565 4.4243 4.4243 4.4243 4.4243 4.4905 4.4905 4.4905 4.4905 5.9426 5.9426 5.9426 5.9426 7.4237 7.4237 7.4237 7.4237 8.0499 8.0499 8.0499 8.0499 10.0780 10.0780 10.0780 10.0780 k = 0.0000 0.5000 0.1997 ( 3920 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4784 -1.4784 -1.4784 -1.4784 3.1671 3.1671 3.1671 3.1671 4.4238 4.4238 4.4238 4.4238 4.4818 4.4818 4.4818 4.4818 5.9376 5.9376 5.9376 5.9376 7.4270 7.4270 7.4270 7.4270 8.0528 8.0528 8.0528 8.0528 10.0692 10.0692 10.0692 10.0692 k = 0.0000 0.5000 0.2108 ( 3920 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4790 -1.4790 -1.4790 -1.4790 3.1736 3.1736 3.1736 3.1736 4.4235 4.4235 4.4235 4.4235 4.4764 4.4764 4.4764 4.4764 5.9345 5.9345 5.9345 5.9345 7.4290 7.4290 7.4290 7.4290 8.0546 8.0546 8.0546 8.0546 10.0639 10.0639 10.0639 10.0639 k = 0.0000 0.5000 0.2219 ( 3932 PWs) bands (ev): -9.4944 -9.4944 -9.4944 -9.4944 -1.4792 -1.4792 -1.4792 -1.4792 3.1758 3.1758 3.1758 3.1758 4.4234 4.4234 4.4234 4.4234 4.4746 4.4746 4.4746 4.4746 5.9334 5.9334 5.9334 5.9334 7.4297 7.4297 7.4297 7.4297 8.0553 8.0553 8.0553 8.0553 10.0621 10.0621 10.0621 10.0621 k = 0.5000 0.5000-0.0000 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6136 0.6136 0.6136 0.6136 1.8723 1.8723 1.8723 1.8723 3.4550 3.4550 3.4550 3.4550 4.4336 4.4336 4.4336 4.4336 4.6412 4.6412 4.6412 4.6412 5.7223 5.7223 5.7223 5.7223 9.4494 9.4494 9.4494 9.4494 10.6246 10.6246 10.6246 10.6246 k = 0.5000 0.5000 0.0111 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6136 0.6136 0.6136 0.6136 1.8716 1.8716 1.8716 1.8716 3.4548 3.4548 3.4548 3.4548 4.4358 4.4358 4.4358 4.4358 4.6412 4.6412 4.6412 4.6412 5.7224 5.7224 5.7224 5.7224 9.4417 9.4417 9.4417 9.4417 10.6303 10.6303 10.6303 10.6303 k = 0.5000 0.5000 0.0222 ( 3916 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6137 0.6137 0.6137 0.6137 1.8693 1.8693 1.8693 1.8693 3.4544 3.4544 3.4544 3.4544 4.4424 4.4424 4.4424 4.4424 4.6413 4.6413 4.6413 4.6413 5.7228 5.7228 5.7228 5.7228 9.4191 9.4191 9.4191 9.4191 10.6469 10.6469 10.6469 10.6469 k = 0.5000 0.5000 0.0333 ( 3932 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6139 0.6139 0.6139 0.6139 1.8657 1.8657 1.8657 1.8657 3.4536 3.4536 3.4536 3.4536 4.4531 4.4531 4.4531 4.4531 4.6414 4.6414 4.6414 4.6414 5.7233 5.7233 5.7233 5.7233 9.3833 9.3833 9.3833 9.3833 10.6726 10.6726 10.6726 10.6726 k = 0.5000 0.5000 0.0444 ( 3932 PWs) bands (ev): -9.4931 -9.4931 -9.4931 -9.4931 0.6141 0.6141 0.6141 0.6141 1.8608 1.8608 1.8608 1.8608 3.4526 3.4526 3.4526 3.4526 4.4678 4.4678 4.4678 4.4678 4.6415 4.6415 4.6415 4.6415 5.7240 5.7240 5.7240 5.7240 9.3365 9.3365 9.3365 9.3365 10.7043 10.7043 10.7043 10.7043 k = 0.5000 0.5000 0.0555 ( 3936 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 0.6144 0.6144 0.6144 0.6144 1.8547 1.8547 1.8547 1.8547 3.4514 3.4514 3.4514 3.4514 4.4860 4.4860 4.4860 4.4860 4.6418 4.6418 4.6418 4.6418 5.7249 5.7249 5.7249 5.7249 9.2813 9.2813 9.2813 9.2813 10.7369 10.7369 10.7369 10.7369 k = 0.5000 0.5000 0.0666 ( 3956 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 0.6147 0.6147 0.6147 0.6147 1.8477 1.8477 1.8477 1.8477 3.4500 3.4500 3.4500 3.4500 4.5075 4.5075 4.5075 4.5075 4.6421 4.6421 4.6421 4.6421 5.7259 5.7259 5.7259 5.7259 9.2200 9.2200 9.2200 9.2200 10.7589 10.7589 10.7589 10.7590 k = 0.5000 0.5000 0.0777 ( 3952 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 0.6151 0.6151 0.6151 0.6151 1.8399 1.8399 1.8399 1.8399 3.4483 3.4483 3.4483 3.4483 4.5315 4.5315 4.5315 4.5315 4.6426 4.6426 4.6426 4.6426 5.7270 5.7270 5.7270 5.7270 9.1546 9.1546 9.1546 9.1546 10.7674 10.7674 10.7674 10.7674 k = 0.5000 0.5000 0.0888 ( 3952 PWs) bands (ev): -9.4930 -9.4930 -9.4930 -9.4930 0.6156 0.6156 0.6156 0.6156 1.8315 1.8315 1.8315 1.8315 3.4466 3.4466 3.4466 3.4466 4.5575 4.5575 4.5575 4.5575 4.6434 4.6434 4.6434 4.6434 5.7283 5.7283 5.7283 5.7283 9.0871 9.0871 9.0871 9.0871 10.7710 10.7710 10.7710 10.7710 k = 0.5000 0.5000 0.0999 ( 3964 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 0.6160 0.6160 0.6160 0.6160 1.8228 1.8228 1.8228 1.8228 3.4448 3.4448 3.4448 3.4448 4.5844 4.5844 4.5844 4.5844 4.6449 4.6449 4.6449 4.6449 5.7296 5.7296 5.7296 5.7296 9.0190 9.0190 9.0190 9.0190 10.7732 10.7732 10.7732 10.7732 k = 0.5000 0.5000 0.1110 ( 3956 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 0.6165 0.6165 0.6165 0.6165 1.8140 1.8140 1.8140 1.8140 3.4429 3.4429 3.4429 3.4429 4.6100 4.6100 4.6100 4.6100 4.6488 4.6488 4.6488 4.6488 5.7309 5.7309 5.7309 5.7309 8.9518 8.9518 8.9518 8.9518 10.7748 10.7748 10.7748 10.7748 k = 0.5000 0.5000 0.1221 ( 3956 PWs) bands (ev): -9.4929 -9.4929 -9.4929 -9.4929 0.6169 0.6169 0.6169 0.6169 1.8053 1.8053 1.8053 1.8053 3.4410 3.4410 3.4410 3.4410 4.6279 4.6279 4.6279 4.6279 4.6606 4.6606 4.6606 4.6606 5.7322 5.7322 5.7322 5.7322 8.8868 8.8868 8.8868 8.8868 10.7762 10.7762 10.7762 10.7762 k = 0.5000 0.5000 0.1332 ( 3940 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 0.6174 0.6174 0.6174 0.6174 1.7969 1.7969 1.7969 1.7969 3.4392 3.4392 3.4392 3.4392 4.6347 4.6347 4.6347 4.6347 4.6831 4.6831 4.6831 4.6831 5.7335 5.7335 5.7335 5.7335 8.8250 8.8250 8.8250 8.8250 10.7774 10.7774 10.7774 10.7775 k = 0.5000 0.5000 0.1443 ( 3932 PWs) bands (ev): -9.4928 -9.4928 -9.4928 -9.4928 0.6178 0.6178 0.6178 0.6178 1.7891 1.7891 1.7891 1.7891 3.4374 3.4374 3.4374 3.4374 4.6370 4.6370 4.6370 4.6370 4.7089 4.7089 4.7089 4.7089 5.7347 5.7347 5.7347 5.7347 8.7677 8.7677 8.7677 8.7677 10.7785 10.7785 10.7785 10.7785 k = 0.5000 0.5000 0.1554 ( 3944 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6182 0.6182 0.6182 0.6182 1.7819 1.7819 1.7819 1.7819 3.4358 3.4358 3.4358 3.4358 4.6381 4.6381 4.6381 4.6381 4.7340 4.7340 4.7340 4.7340 5.7359 5.7359 5.7359 5.7359 8.7158 8.7158 8.7158 8.7158 10.7795 10.7795 10.7795 10.7795 k = 0.5000 0.5000 0.1665 ( 3944 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6185 0.6185 0.6185 0.6185 1.7755 1.7755 1.7755 1.7755 3.4344 3.4344 3.4344 3.4344 4.6387 4.6387 4.6387 4.6387 4.7570 4.7570 4.7570 4.7570 5.7369 5.7369 5.7369 5.7369 8.6701 8.6701 8.6701 8.6701 10.7803 10.7803 10.7803 10.7803 k = 0.5000 0.5000 0.1776 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6188 0.6188 0.6188 0.6188 1.7702 1.7702 1.7702 1.7702 3.4332 3.4332 3.4332 3.4332 4.6391 4.6391 4.6391 4.6391 4.7770 4.7770 4.7770 4.7770 5.7378 5.7378 5.7378 5.7378 8.6315 8.6315 8.6315 8.6315 10.7810 10.7810 10.7810 10.7810 k = 0.5000 0.5000 0.1887 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6190 0.6190 0.6190 0.6190 1.7659 1.7659 1.7659 1.7659 3.4322 3.4322 3.4322 3.4322 4.6393 4.6393 4.6393 4.6393 4.7933 4.7933 4.7933 4.7933 5.7384 5.7384 5.7384 5.7384 8.6008 8.6008 8.6008 8.6008 10.7816 10.7816 10.7816 10.7816 k = 0.5000 0.5000 0.1997 ( 3928 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6192 0.6192 0.6192 0.6192 1.7627 1.7627 1.7627 1.7627 3.4315 3.4315 3.4315 3.4315 4.6395 4.6395 4.6395 4.6395 4.8053 4.8053 4.8053 4.8053 5.7390 5.7390 5.7390 5.7390 8.5784 8.5784 8.5784 8.5784 10.7820 10.7820 10.7820 10.7820 k = 0.5000 0.5000 0.2108 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6193 0.6193 0.6193 0.6193 1.7608 1.7608 1.7608 1.7608 3.4311 3.4311 3.4311 3.4311 4.6396 4.6396 4.6396 4.6396 4.8127 4.8127 4.8127 4.8127 5.7393 5.7393 5.7393 5.7393 8.5647 8.5647 8.5647 8.5647 10.7822 10.7822 10.7822 10.7822 k = 0.5000 0.5000 0.2219 ( 3936 PWs) bands (ev): -9.4927 -9.4927 -9.4927 -9.4927 0.6194 0.6194 0.6194 0.6194 1.7602 1.7602 1.7602 1.7602 3.4309 3.4309 3.4309 3.4309 4.6396 4.6396 4.6396 4.6396 4.8151 4.8151 4.8151 4.8151 5.7394 5.7394 5.7394 5.7394 8.5602 8.5602 8.5602 8.5602 10.7823 10.7823 10.7823 10.7823 Writing output data file ZrSiO.save init_run : 0.34s CPU 0.51s WALL ( 1 calls) electrons : 167.24s CPU 170.37s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 167.24s CPU 170.36s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 377 calls) cegterg : 154.36s CPU 156.84s WALL ( 870 calls) Called by sum_band: Called by *egterg: h_psi : 74.22s CPU 75.69s WALL ( 14844 calls) s_psi : 9.40s CPU 9.56s WALL ( 14844 calls) g_psi : 0.26s CPU 0.28s WALL ( 13597 calls) cdiaghg : 63.62s CPU 64.36s WALL ( 13974 calls) cegterg:over : 5.59s CPU 5.61s WALL ( 13597 calls) cegterg:upda : 5.01s CPU 5.04s WALL ( 13597 calls) cegterg:last : 2.65s CPU 2.75s WALL ( 2268 calls) cdiaghg:chol : 3.51s CPU 3.51s WALL ( 13974 calls) cdiaghg:inve : 1.75s CPU 1.82s WALL ( 13974 calls) cdiaghg:para : 3.45s CPU 3.65s WALL ( 27948 calls) Called by h_psi: h_psi:vloc : 61.68s CPU 63.01s WALL ( 14844 calls) h_psi:vnl : 12.29s CPU 12.43s WALL ( 14844 calls) add_vuspsi : 5.67s CPU 5.93s WALL ( 14844 calls) General routines calbec : 6.57s CPU 6.46s WALL ( 14844 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.59s CPU 58.77s WALL ( 994564 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.27s WALL ( 754 calls) Parallel routines fft_scatter : 24.67s CPU 25.21s WALL ( 994587 calls) PWSCF : 3m 0.27s CPU 3m17.47s WALL This run was terminated on: 21: 6:18 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=