Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 20:32:57 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: ./LiBeAs.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 96 45 13 7110 2302 349 Max 97 46 14 7117 2330 353 Sum 3489 1649 481 256063 83371 12633 bravais-lattice index = 14 lattice parameter (alat) = 7.0846 a.u. unit-cell volume = 589.8586 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.084583 celldm(2)= 1.000000 celldm(3)= 1.658842 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.658842 ) 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 0.602830 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 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 Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Li 3.00 6.94100 Li( 1.00) Be 4.00 9.01220 Be( 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= 375 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026667 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0026667 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0026667 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0026667 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026667 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0026667 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0026667 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0026667 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0026667 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0026667 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0026667 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0026667 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026667 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0026667 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0026667 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026667 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0026667 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0026667 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0026667 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026667 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0026667 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0026667 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026667 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0026667 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0026667 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0026667 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0026667 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0026667 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0026667 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026667 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0026667 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0026667 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026667 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0026667 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026667 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0026667 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0026667 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0026667 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0026667 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0026667 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0026667 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0026667 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0026667 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0026667 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0026667 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0026667 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0026667 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0026667 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0026667 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0026667 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026667 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0026667 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0026667 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0026667 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0026667 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0026667 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0026667 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0026667 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026667 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0026667 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0026667 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0026667 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0026667 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0026667 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0026667 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0026667 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0026667 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0026667 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0026667 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0026667 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0026667 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0026667 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0026667 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0026667 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0026667 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0026667 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026667 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0026667 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0026667 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0026667 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0026667 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0026667 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0026667 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0026667 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0026667 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0026667 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0026667 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0026667 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0026667 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0026667 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0026667 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0026667 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0026667 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.0115929), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.0231858), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.0347787), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.0463715), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.0579644), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.0695573), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.0811502), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.0927431), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.1043360), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.1159289), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.1275217), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.1391146), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.1507075), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.1623004), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.1738933), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.1854862), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.1970791), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.2086719), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.2202648), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.2318577), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.2434506), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.2550435), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.2666364), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.2782292), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.2898221), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.3014150), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.3014150), wk = 0.0026667 k( 176) = ( 0.0000000 0.0119048 0.3014150), wk = 0.0026667 k( 177) = ( 0.0000000 0.0238095 0.3014150), wk = 0.0026667 k( 178) = ( 0.0000000 0.0357143 0.3014150), wk = 0.0026667 k( 179) = ( 0.0000000 0.0476191 0.3014150), wk = 0.0026667 k( 180) = ( 0.0000000 0.0595238 0.3014150), wk = 0.0026667 k( 181) = ( 0.0000000 0.0714286 0.3014150), wk = 0.0026667 k( 182) = ( 0.0000000 0.0833333 0.3014150), wk = 0.0026667 k( 183) = ( 0.0000000 0.0952381 0.3014150), wk = 0.0026667 k( 184) = ( 0.0000000 0.1071429 0.3014150), wk = 0.0026667 k( 185) = ( 0.0000000 0.1190476 0.3014150), wk = 0.0026667 k( 186) = ( 0.0000000 0.1309524 0.3014150), wk = 0.0026667 k( 187) = ( 0.0000000 0.1428571 0.3014150), wk = 0.0026667 k( 188) = ( 0.0000000 0.1547619 0.3014150), wk = 0.0026667 k( 189) = ( 0.0000000 0.1666667 0.3014150), wk = 0.0026667 k( 190) = ( 0.0000000 0.1785714 0.3014150), wk = 0.0026667 k( 191) = ( 0.0000000 0.1904762 0.3014150), wk = 0.0026667 k( 192) = ( 0.0000000 0.2023810 0.3014150), wk = 0.0026667 k( 193) = ( 0.0000000 0.2142857 0.3014150), wk = 0.0026667 k( 194) = ( 0.0000000 0.2261905 0.3014150), wk = 0.0026667 k( 195) = ( 0.0000000 0.2380952 0.3014150), wk = 0.0026667 k( 196) = ( 0.0000000 0.2500000 0.3014150), wk = 0.0026667 k( 197) = ( 0.0000000 0.2619048 0.3014150), wk = 0.0026667 k( 198) = ( 0.0000000 0.2738095 0.3014150), wk = 0.0026667 k( 199) = ( 0.0000000 0.2857143 0.3014150), wk = 0.0026667 k( 200) = ( 0.0000000 0.2976190 0.3014150), wk = 0.0026667 k( 201) = ( 0.0000000 0.3095238 0.3014150), wk = 0.0026667 k( 202) = ( 0.0000000 0.3214286 0.3014150), wk = 0.0026667 k( 203) = ( 0.0000000 0.3333333 0.3014150), wk = 0.0026667 k( 204) = ( 0.0000000 0.3452381 0.3014150), wk = 0.0026667 k( 205) = ( 0.0000000 0.3571429 0.3014150), wk = 0.0026667 k( 206) = ( 0.0000000 0.3690476 0.3014150), wk = 0.0026667 k( 207) = ( 0.0000000 0.3809524 0.3014150), wk = 0.0026667 k( 208) = ( 0.0000000 0.3928571 0.3014150), wk = 0.0026667 k( 209) = ( 0.0000000 0.4047619 0.3014150), wk = 0.0026667 k( 210) = ( 0.0000000 0.4166667 0.3014150), wk = 0.0026667 k( 211) = ( 0.0000000 0.4285714 0.3014150), wk = 0.0026667 k( 212) = ( 0.0000000 0.4404762 0.3014150), wk = 0.0026667 k( 213) = ( 0.0000000 0.4523810 0.3014150), wk = 0.0026667 k( 214) = ( 0.0000000 0.4642857 0.3014150), wk = 0.0026667 k( 215) = ( 0.0000000 0.4761905 0.3014150), wk = 0.0026667 k( 216) = ( 0.0000000 0.4880952 0.3014150), wk = 0.0026667 k( 217) = ( 0.0000000 0.5000000 0.3014150), wk = 0.0026667 k( 218) = ( 0.0000000 0.5000000 0.3014150), wk = 0.0026667 k( 219) = ( 0.0119048 0.5000000 0.3014150), wk = 0.0026667 k( 220) = ( 0.0238095 0.5000000 0.3014150), wk = 0.0026667 k( 221) = ( 0.0357143 0.5000000 0.3014150), wk = 0.0026667 k( 222) = ( 0.0476191 0.5000000 0.3014150), wk = 0.0026667 k( 223) = ( 0.0595238 0.5000000 0.3014150), wk = 0.0026667 k( 224) = ( 0.0714286 0.5000000 0.3014150), wk = 0.0026667 k( 225) = ( 0.0833333 0.5000000 0.3014150), wk = 0.0026667 k( 226) = ( 0.0952381 0.5000000 0.3014150), wk = 0.0026667 k( 227) = ( 0.1071429 0.5000000 0.3014150), wk = 0.0026667 k( 228) = ( 0.1190476 0.5000000 0.3014150), wk = 0.0026667 k( 229) = ( 0.1309524 0.5000000 0.3014150), wk = 0.0026667 k( 230) = ( 0.1428571 0.5000000 0.3014150), wk = 0.0026667 k( 231) = ( 0.1547619 0.5000000 0.3014150), wk = 0.0026667 k( 232) = ( 0.1666667 0.5000000 0.3014150), wk = 0.0026667 k( 233) = ( 0.1785714 0.5000000 0.3014150), wk = 0.0026667 k( 234) = ( 0.1904762 0.5000000 0.3014150), wk = 0.0026667 k( 235) = ( 0.2023810 0.5000000 0.3014150), wk = 0.0026667 k( 236) = ( 0.2142857 0.5000000 0.3014150), wk = 0.0026667 k( 237) = ( 0.2261905 0.5000000 0.3014150), wk = 0.0026667 k( 238) = ( 0.2380952 0.5000000 0.3014150), wk = 0.0026667 k( 239) = ( 0.2500000 0.5000000 0.3014150), wk = 0.0026667 k( 240) = ( 0.2619048 0.5000000 0.3014150), wk = 0.0026667 k( 241) = ( 0.2738095 0.5000000 0.3014150), wk = 0.0026667 k( 242) = ( 0.2857143 0.5000000 0.3014150), wk = 0.0026667 k( 243) = ( 0.2976190 0.5000000 0.3014150), wk = 0.0026667 k( 244) = ( 0.3095238 0.5000000 0.3014150), wk = 0.0026667 k( 245) = ( 0.3214286 0.5000000 0.3014150), wk = 0.0026667 k( 246) = ( 0.3333333 0.5000000 0.3014150), wk = 0.0026667 k( 247) = ( 0.3452381 0.5000000 0.3014150), wk = 0.0026667 k( 248) = ( 0.3571429 0.5000000 0.3014150), wk = 0.0026667 k( 249) = ( 0.3690476 0.5000000 0.3014150), wk = 0.0026667 k( 250) = ( 0.3809524 0.5000000 0.3014150), wk = 0.0026667 k( 251) = ( 0.3928571 0.5000000 0.3014150), wk = 0.0026667 k( 252) = ( 0.4047619 0.5000000 0.3014150), wk = 0.0026667 k( 253) = ( 0.4166667 0.5000000 0.3014150), wk = 0.0026667 k( 254) = ( 0.4285714 0.5000000 0.3014150), wk = 0.0026667 k( 255) = ( 0.4404762 0.5000000 0.3014150), wk = 0.0026667 k( 256) = ( 0.4523810 0.5000000 0.3014150), wk = 0.0026667 k( 257) = ( 0.4642857 0.5000000 0.3014150), wk = 0.0026667 k( 258) = ( 0.4761905 0.5000000 0.3014150), wk = 0.0026667 k( 259) = ( 0.4880952 0.5000000 0.3014150), wk = 0.0026667 k( 260) = ( 0.5000000 0.5000000 0.3014150), wk = 0.0026667 k( 261) = ( 0.5000000 0.5000000 0.3014150), wk = 0.0026667 k( 262) = ( 0.4916667 0.4916667 0.3014150), wk = 0.0026667 k( 263) = ( 0.4833333 0.4833333 0.3014150), wk = 0.0026667 k( 264) = ( 0.4750000 0.4750000 0.3014150), wk = 0.0026667 k( 265) = ( 0.4666667 0.4666667 0.3014150), wk = 0.0026667 k( 266) = ( 0.4583333 0.4583333 0.3014150), wk = 0.0026667 k( 267) = ( 0.4500000 0.4500000 0.3014150), wk = 0.0026667 k( 268) = ( 0.4416667 0.4416667 0.3014150), wk = 0.0026667 k( 269) = ( 0.4333333 0.4333333 0.3014150), wk = 0.0026667 k( 270) = ( 0.4250000 0.4250000 0.3014150), wk = 0.0026667 k( 271) = ( 0.4166667 0.4166667 0.3014150), wk = 0.0026667 k( 272) = ( 0.4083333 0.4083333 0.3014150), wk = 0.0026667 k( 273) = ( 0.4000000 0.4000000 0.3014150), wk = 0.0026667 k( 274) = ( 0.3916667 0.3916667 0.3014150), wk = 0.0026667 k( 275) = ( 0.3833333 0.3833333 0.3014150), wk = 0.0026667 k( 276) = ( 0.3750000 0.3750000 0.3014150), wk = 0.0026667 k( 277) = ( 0.3666667 0.3666667 0.3014150), wk = 0.0026667 k( 278) = ( 0.3583333 0.3583333 0.3014150), wk = 0.0026667 k( 279) = ( 0.3500000 0.3500000 0.3014150), wk = 0.0026667 k( 280) = ( 0.3416667 0.3416667 0.3014150), wk = 0.0026667 k( 281) = ( 0.3333333 0.3333333 0.3014150), wk = 0.0026667 k( 282) = ( 0.3250000 0.3250000 0.3014150), wk = 0.0026667 k( 283) = ( 0.3166667 0.3166667 0.3014150), wk = 0.0026667 k( 284) = ( 0.3083333 0.3083333 0.3014150), wk = 0.0026667 k( 285) = ( 0.3000000 0.3000000 0.3014150), wk = 0.0026667 k( 286) = ( 0.2916667 0.2916667 0.3014150), wk = 0.0026667 k( 287) = ( 0.2833333 0.2833333 0.3014150), wk = 0.0026667 k( 288) = ( 0.2750000 0.2750000 0.3014150), wk = 0.0026667 k( 289) = ( 0.2666667 0.2666667 0.3014150), wk = 0.0026667 k( 290) = ( 0.2583333 0.2583333 0.3014150), wk = 0.0026667 k( 291) = ( 0.2500000 0.2500000 0.3014150), wk = 0.0026667 k( 292) = ( 0.2416667 0.2416667 0.3014150), wk = 0.0026667 k( 293) = ( 0.2333333 0.2333333 0.3014150), wk = 0.0026667 k( 294) = ( 0.2250000 0.2250000 0.3014150), wk = 0.0026667 k( 295) = ( 0.2166667 0.2166667 0.3014150), wk = 0.0026667 k( 296) = ( 0.2083333 0.2083333 0.3014150), wk = 0.0026667 k( 297) = ( 0.2000000 0.2000000 0.3014150), wk = 0.0026667 k( 298) = ( 0.1916667 0.1916667 0.3014150), wk = 0.0026667 k( 299) = ( 0.1833333 0.1833333 0.3014150), wk = 0.0026667 k( 300) = ( 0.1750000 0.1750000 0.3014150), wk = 0.0026667 k( 301) = ( 0.1666667 0.1666667 0.3014150), wk = 0.0026667 k( 302) = ( 0.1583333 0.1583333 0.3014150), wk = 0.0026667 k( 303) = ( 0.1500000 0.1500000 0.3014150), wk = 0.0026667 k( 304) = ( 0.1416667 0.1416667 0.3014150), wk = 0.0026667 k( 305) = ( 0.1333333 0.1333333 0.3014150), wk = 0.0026667 k( 306) = ( 0.1250000 0.1250000 0.3014150), wk = 0.0026667 k( 307) = ( 0.1166667 0.1166667 0.3014150), wk = 0.0026667 k( 308) = ( 0.1083333 0.1083333 0.3014150), wk = 0.0026667 k( 309) = ( 0.1000000 0.1000000 0.3014150), wk = 0.0026667 k( 310) = ( 0.0916667 0.0916667 0.3014150), wk = 0.0026667 k( 311) = ( 0.0833333 0.0833333 0.3014150), wk = 0.0026667 k( 312) = ( 0.0750000 0.0750000 0.3014150), wk = 0.0026667 k( 313) = ( 0.0666667 0.0666667 0.3014150), wk = 0.0026667 k( 314) = ( 0.0583333 0.0583333 0.3014150), wk = 0.0026667 k( 315) = ( 0.0500000 0.0500000 0.3014150), wk = 0.0026667 k( 316) = ( 0.0416667 0.0416667 0.3014150), wk = 0.0026667 k( 317) = ( 0.0333333 0.0333333 0.3014150), wk = 0.0026667 k( 318) = ( 0.0250000 0.0250000 0.3014150), wk = 0.0026667 k( 319) = ( 0.0166667 0.0166667 0.3014150), wk = 0.0026667 k( 320) = ( 0.0083333 0.0083333 0.3014150), wk = 0.0026667 k( 321) = ( 0.0000000 0.0000000 0.3014150), wk = 0.0026667 k( 322) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026667 k( 323) = ( 0.0000000 0.5000000 0.0115929), wk = 0.0026667 k( 324) = ( 0.0000000 0.5000000 0.0231858), wk = 0.0026667 k( 325) = ( 0.0000000 0.5000000 0.0347787), wk = 0.0026667 k( 326) = ( 0.0000000 0.5000000 0.0463715), wk = 0.0026667 k( 327) = ( 0.0000000 0.5000000 0.0579644), wk = 0.0026667 k( 328) = ( 0.0000000 0.5000000 0.0695573), wk = 0.0026667 k( 329) = ( 0.0000000 0.5000000 0.0811502), wk = 0.0026667 k( 330) = ( 0.0000000 0.5000000 0.0927431), wk = 0.0026667 k( 331) = ( 0.0000000 0.5000000 0.1043360), wk = 0.0026667 k( 332) = ( 0.0000000 0.5000000 0.1159289), wk = 0.0026667 k( 333) = ( 0.0000000 0.5000000 0.1275217), wk = 0.0026667 k( 334) = ( 0.0000000 0.5000000 0.1391146), wk = 0.0026667 k( 335) = ( 0.0000000 0.5000000 0.1507075), wk = 0.0026667 k( 336) = ( 0.0000000 0.5000000 0.1623004), wk = 0.0026667 k( 337) = ( 0.0000000 0.5000000 0.1738933), wk = 0.0026667 k( 338) = ( 0.0000000 0.5000000 0.1854862), wk = 0.0026667 k( 339) = ( 0.0000000 0.5000000 0.1970791), wk = 0.0026667 k( 340) = ( 0.0000000 0.5000000 0.2086719), wk = 0.0026667 k( 341) = ( 0.0000000 0.5000000 0.2202648), wk = 0.0026667 k( 342) = ( 0.0000000 0.5000000 0.2318577), wk = 0.0026667 k( 343) = ( 0.0000000 0.5000000 0.2434506), wk = 0.0026667 k( 344) = ( 0.0000000 0.5000000 0.2550435), wk = 0.0026667 k( 345) = ( 0.0000000 0.5000000 0.2666364), wk = 0.0026667 k( 346) = ( 0.0000000 0.5000000 0.2782292), wk = 0.0026667 k( 347) = ( 0.0000000 0.5000000 0.2898221), wk = 0.0026667 k( 348) = ( 0.0000000 0.5000000 0.3014150), wk = 0.0026667 k( 349) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026667 k( 350) = ( 0.5000000 0.5000000 0.0115929), wk = 0.0026667 k( 351) = ( 0.5000000 0.5000000 0.0231858), wk = 0.0026667 k( 352) = ( 0.5000000 0.5000000 0.0347787), wk = 0.0026667 k( 353) = ( 0.5000000 0.5000000 0.0463715), wk = 0.0026667 k( 354) = ( 0.5000000 0.5000000 0.0579644), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 0.0695573), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.0811502), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.0927431), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.1043360), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.1159289), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.1275217), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.1391146), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.1507075), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.1623004), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.1738933), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.1854862), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.1970791), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.2086719), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.2202648), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.2318577), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.2434506), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.2550435), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.2666364), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.2782292), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.2898221), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.3014150), wk = 0.0026667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0026667 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0026667 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0026667 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0026667 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0026667 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0026667 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0026667 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0026667 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0026667 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0026667 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0026667 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0026667 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0026667 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0026667 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0026667 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0026667 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0026667 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0026667 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0026667 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0026667 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0026667 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0026667 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0026667 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0026667 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0026667 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0026667 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0026667 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0026667 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0026667 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0026667 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0026667 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0026667 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0026667 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0026667 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0026667 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0026667 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0026667 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0026667 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0026667 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0026667 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0026667 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0026667 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0026667 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0026667 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0026667 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0026667 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0026667 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0026667 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0026667 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0026667 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0026667 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0026667 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0026667 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0026667 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0026667 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0026667 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0026667 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0026667 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0026667 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0026667 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0026667 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026667 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0026667 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0026667 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0026667 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0026667 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0026667 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0026667 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0026667 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0026667 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0026667 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0026667 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0026667 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0026667 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0026667 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0026667 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0026667 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0026667 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0026667 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0026667 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0026667 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0026667 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 88) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0026667 k( 89) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0026667 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0026667 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0026667 k( 92) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0026667 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0026667 k( 94) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0026667 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0026667 k( 96) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0026667 k( 97) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0026667 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0026667 k( 99) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0026667 k( 100) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0026667 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0026667 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0026667 k( 103) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0026667 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0026667 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0026667 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0026667 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0026667 k( 108) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0026667 k( 109) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0026667 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0026667 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0026667 k( 112) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0026667 k( 113) = ( 0.2833333 0.2833333 0.0000000), wk = 0.0026667 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0026667 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0026667 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0026667 k( 117) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0026667 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0026667 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0026667 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0026667 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0026667 k( 122) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0026667 k( 123) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0026667 k( 124) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0026667 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0026667 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0026667 k( 127) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0026667 k( 128) = ( 0.1583333 0.1583333 0.0000000), wk = 0.0026667 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0026667 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0026667 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0026667 k( 132) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0026667 k( 133) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0026667 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0026667 k( 135) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0026667 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0026667 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0026667 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0026667 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0026667 k( 140) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0026667 k( 141) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0026667 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0026667 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0026667 k( 144) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0026667 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0026667 k( 146) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0026667 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026667 k( 149) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0026667 k( 150) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026667 k( 151) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0026667 k( 152) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026667 k( 153) = ( 0.0000000 0.0000000 0.0961538), wk = 0.0026667 k( 154) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026667 k( 155) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0026667 k( 156) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026667 k( 157) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0026667 k( 158) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026667 k( 159) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0026667 k( 160) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026667 k( 161) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0026667 k( 162) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026667 k( 163) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0026667 k( 164) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026667 k( 165) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0026667 k( 166) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026667 k( 167) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0026667 k( 168) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026667 k( 169) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0026667 k( 170) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026667 k( 171) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0026667 k( 172) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026667 k( 173) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0026667 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 176) = ( 0.0000000 0.0119048 0.5000000), wk = 0.0026667 k( 177) = ( 0.0000000 0.0238095 0.5000000), wk = 0.0026667 k( 178) = ( 0.0000000 0.0357143 0.5000000), wk = 0.0026667 k( 179) = ( 0.0000000 0.0476191 0.5000000), wk = 0.0026667 k( 180) = ( 0.0000000 0.0595238 0.5000000), wk = 0.0026667 k( 181) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0026667 k( 182) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0026667 k( 183) = ( 0.0000000 0.0952381 0.5000000), wk = 0.0026667 k( 184) = ( 0.0000000 0.1071429 0.5000000), wk = 0.0026667 k( 185) = ( 0.0000000 0.1190476 0.5000000), wk = 0.0026667 k( 186) = ( 0.0000000 0.1309524 0.5000000), wk = 0.0026667 k( 187) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0026667 k( 188) = ( 0.0000000 0.1547619 0.5000000), wk = 0.0026667 k( 189) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0026667 k( 190) = ( 0.0000000 0.1785714 0.5000000), wk = 0.0026667 k( 191) = ( 0.0000000 0.1904762 0.5000000), wk = 0.0026667 k( 192) = ( 0.0000000 0.2023810 0.5000000), wk = 0.0026667 k( 193) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0026667 k( 194) = ( 0.0000000 0.2261905 0.5000000), wk = 0.0026667 k( 195) = ( 0.0000000 0.2380952 0.5000000), wk = 0.0026667 k( 196) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026667 k( 197) = ( 0.0000000 0.2619048 0.5000000), wk = 0.0026667 k( 198) = ( 0.0000000 0.2738095 0.5000000), wk = 0.0026667 k( 199) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0026667 k( 200) = ( 0.0000000 0.2976190 0.5000000), wk = 0.0026667 k( 201) = ( 0.0000000 0.3095238 0.5000000), wk = 0.0026667 k( 202) = ( 0.0000000 0.3214286 0.5000000), wk = 0.0026667 k( 203) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0026667 k( 204) = ( 0.0000000 0.3452381 0.5000000), wk = 0.0026667 k( 205) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0026667 k( 206) = ( 0.0000000 0.3690476 0.5000000), wk = 0.0026667 k( 207) = ( 0.0000000 0.3809524 0.5000000), wk = 0.0026667 k( 208) = ( 0.0000000 0.3928571 0.5000000), wk = 0.0026667 k( 209) = ( 0.0000000 0.4047619 0.5000000), wk = 0.0026667 k( 210) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0026667 k( 211) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0026667 k( 212) = ( 0.0000000 0.4404762 0.5000000), wk = 0.0026667 k( 213) = ( 0.0000000 0.4523810 0.5000000), wk = 0.0026667 k( 214) = ( 0.0000000 0.4642857 0.5000000), wk = 0.0026667 k( 215) = ( 0.0000000 0.4761905 0.5000000), wk = 0.0026667 k( 216) = ( 0.0000000 0.4880952 0.5000000), wk = 0.0026667 k( 217) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 219) = ( 0.0119048 0.5000000 0.5000000), wk = 0.0026667 k( 220) = ( 0.0238095 0.5000000 0.5000000), wk = 0.0026667 k( 221) = ( 0.0357143 0.5000000 0.5000000), wk = 0.0026667 k( 222) = ( 0.0476191 0.5000000 0.5000000), wk = 0.0026667 k( 223) = ( 0.0595238 0.5000000 0.5000000), wk = 0.0026667 k( 224) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0026667 k( 225) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0026667 k( 226) = ( 0.0952381 0.5000000 0.5000000), wk = 0.0026667 k( 227) = ( 0.1071429 0.5000000 0.5000000), wk = 0.0026667 k( 228) = ( 0.1190476 0.5000000 0.5000000), wk = 0.0026667 k( 229) = ( 0.1309524 0.5000000 0.5000000), wk = 0.0026667 k( 230) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0026667 k( 231) = ( 0.1547619 0.5000000 0.5000000), wk = 0.0026667 k( 232) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0026667 k( 233) = ( 0.1785714 0.5000000 0.5000000), wk = 0.0026667 k( 234) = ( 0.1904762 0.5000000 0.5000000), wk = 0.0026667 k( 235) = ( 0.2023810 0.5000000 0.5000000), wk = 0.0026667 k( 236) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0026667 k( 237) = ( 0.2261905 0.5000000 0.5000000), wk = 0.0026667 k( 238) = ( 0.2380952 0.5000000 0.5000000), wk = 0.0026667 k( 239) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026667 k( 240) = ( 0.2619048 0.5000000 0.5000000), wk = 0.0026667 k( 241) = ( 0.2738095 0.5000000 0.5000000), wk = 0.0026667 k( 242) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0026667 k( 243) = ( 0.2976190 0.5000000 0.5000000), wk = 0.0026667 k( 244) = ( 0.3095238 0.5000000 0.5000000), wk = 0.0026667 k( 245) = ( 0.3214286 0.5000000 0.5000000), wk = 0.0026667 k( 246) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0026667 k( 247) = ( 0.3452381 0.5000000 0.5000000), wk = 0.0026667 k( 248) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0026667 k( 249) = ( 0.3690476 0.5000000 0.5000000), wk = 0.0026667 k( 250) = ( 0.3809524 0.5000000 0.5000000), wk = 0.0026667 k( 251) = ( 0.3928571 0.5000000 0.5000000), wk = 0.0026667 k( 252) = ( 0.4047619 0.5000000 0.5000000), wk = 0.0026667 k( 253) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0026667 k( 254) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0026667 k( 255) = ( 0.4404762 0.5000000 0.5000000), wk = 0.0026667 k( 256) = ( 0.4523810 0.5000000 0.5000000), wk = 0.0026667 k( 257) = ( 0.4642857 0.5000000 0.5000000), wk = 0.0026667 k( 258) = ( 0.4761905 0.5000000 0.5000000), wk = 0.0026667 k( 259) = ( 0.4880952 0.5000000 0.5000000), wk = 0.0026667 k( 260) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 k( 262) = ( 0.4916667 0.4916667 0.5000000), wk = 0.0026667 k( 263) = ( 0.4833333 0.4833333 0.5000000), wk = 0.0026667 k( 264) = ( 0.4750000 0.4750000 0.5000000), wk = 0.0026667 k( 265) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0026667 k( 266) = ( 0.4583333 0.4583333 0.5000000), wk = 0.0026667 k( 267) = ( 0.4500000 0.4500000 0.5000000), wk = 0.0026667 k( 268) = ( 0.4416667 0.4416667 0.5000000), wk = 0.0026667 k( 269) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0026667 k( 270) = ( 0.4250000 0.4250000 0.5000000), wk = 0.0026667 k( 271) = ( 0.4166667 0.4166667 0.5000000), wk = 0.0026667 k( 272) = ( 0.4083333 0.4083333 0.5000000), wk = 0.0026667 k( 273) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0026667 k( 274) = ( 0.3916667 0.3916667 0.5000000), wk = 0.0026667 k( 275) = ( 0.3833333 0.3833333 0.5000000), wk = 0.0026667 k( 276) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0026667 k( 277) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0026667 k( 278) = ( 0.3583333 0.3583333 0.5000000), wk = 0.0026667 k( 279) = ( 0.3500000 0.3500000 0.5000000), wk = 0.0026667 k( 280) = ( 0.3416667 0.3416667 0.5000000), wk = 0.0026667 k( 281) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0026667 k( 282) = ( 0.3250000 0.3250000 0.5000000), wk = 0.0026667 k( 283) = ( 0.3166667 0.3166667 0.5000000), wk = 0.0026667 k( 284) = ( 0.3083333 0.3083333 0.5000000), wk = 0.0026667 k( 285) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0026667 k( 286) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0026667 k( 287) = ( 0.2833333 0.2833333 0.5000000), wk = 0.0026667 k( 288) = ( 0.2750000 0.2750000 0.5000000), wk = 0.0026667 k( 289) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0026667 k( 290) = ( 0.2583333 0.2583333 0.5000000), wk = 0.0026667 k( 291) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0026667 k( 292) = ( 0.2416667 0.2416667 0.5000000), wk = 0.0026667 k( 293) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0026667 k( 294) = ( 0.2250000 0.2250000 0.5000000), wk = 0.0026667 k( 295) = ( 0.2166667 0.2166667 0.5000000), wk = 0.0026667 k( 296) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0026667 k( 297) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0026667 k( 298) = ( 0.1916667 0.1916667 0.5000000), wk = 0.0026667 k( 299) = ( 0.1833333 0.1833333 0.5000000), wk = 0.0026667 k( 300) = ( 0.1750000 0.1750000 0.5000000), wk = 0.0026667 k( 301) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0026667 k( 302) = ( 0.1583333 0.1583333 0.5000000), wk = 0.0026667 k( 303) = ( 0.1500000 0.1500000 0.5000000), wk = 0.0026667 k( 304) = ( 0.1416667 0.1416667 0.5000000), wk = 0.0026667 k( 305) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0026667 k( 306) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0026667 k( 307) = ( 0.1166667 0.1166667 0.5000000), wk = 0.0026667 k( 308) = ( 0.1083333 0.1083333 0.5000000), wk = 0.0026667 k( 309) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0026667 k( 310) = ( 0.0916667 0.0916667 0.5000000), wk = 0.0026667 k( 311) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0026667 k( 312) = ( 0.0750000 0.0750000 0.5000000), wk = 0.0026667 k( 313) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0026667 k( 314) = ( 0.0583333 0.0583333 0.5000000), wk = 0.0026667 k( 315) = ( 0.0500000 0.0500000 0.5000000), wk = 0.0026667 k( 316) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0026667 k( 317) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0026667 k( 318) = ( 0.0250000 0.0250000 0.5000000), wk = 0.0026667 k( 319) = ( 0.0166667 0.0166667 0.5000000), wk = 0.0026667 k( 320) = ( 0.0083333 0.0083333 0.5000000), wk = 0.0026667 k( 321) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026667 k( 322) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0026667 k( 323) = ( 0.0000000 0.5000000 0.0192308), wk = 0.0026667 k( 324) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026667 k( 325) = ( 0.0000000 0.5000000 0.0576923), wk = 0.0026667 k( 326) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026667 k( 327) = ( 0.0000000 0.5000000 0.0961538), wk = 0.0026667 k( 328) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026667 k( 329) = ( 0.0000000 0.5000000 0.1346154), wk = 0.0026667 k( 330) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026667 k( 331) = ( 0.0000000 0.5000000 0.1730769), wk = 0.0026667 k( 332) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026667 k( 333) = ( 0.0000000 0.5000000 0.2115385), wk = 0.0026667 k( 334) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026667 k( 335) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0026667 k( 336) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026667 k( 337) = ( 0.0000000 0.5000000 0.2884615), wk = 0.0026667 k( 338) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026667 k( 339) = ( 0.0000000 0.5000000 0.3269231), wk = 0.0026667 k( 340) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026667 k( 341) = ( 0.0000000 0.5000000 0.3653846), wk = 0.0026667 k( 342) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026667 k( 343) = ( 0.0000000 0.5000000 0.4038462), wk = 0.0026667 k( 344) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026667 k( 345) = ( 0.0000000 0.5000000 0.4423077), wk = 0.0026667 k( 346) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026667 k( 347) = ( 0.0000000 0.5000000 0.4807692), wk = 0.0026667 k( 348) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026667 k( 349) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0026667 k( 350) = ( 0.5000000 0.5000000 0.0192308), wk = 0.0026667 k( 351) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0026667 k( 352) = ( 0.5000000 0.5000000 0.0576923), wk = 0.0026667 k( 353) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0026667 k( 354) = ( 0.5000000 0.5000000 0.0961538), wk = 0.0026667 k( 355) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0026667 k( 356) = ( 0.5000000 0.5000000 0.1346154), wk = 0.0026667 k( 357) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0026667 k( 358) = ( 0.5000000 0.5000000 0.1730769), wk = 0.0026667 k( 359) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0026667 k( 360) = ( 0.5000000 0.5000000 0.2115385), wk = 0.0026667 k( 361) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0026667 k( 362) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0026667 k( 363) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0026667 k( 364) = ( 0.5000000 0.5000000 0.2884615), wk = 0.0026667 k( 365) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0026667 k( 366) = ( 0.5000000 0.5000000 0.3269231), wk = 0.0026667 k( 367) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0026667 k( 368) = ( 0.5000000 0.5000000 0.3653846), wk = 0.0026667 k( 369) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0026667 k( 370) = ( 0.5000000 0.5000000 0.4038462), wk = 0.0026667 k( 371) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0026667 k( 372) = ( 0.5000000 0.5000000 0.4423077), wk = 0.0026667 k( 373) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0026667 k( 374) = ( 0.5000000 0.5000000 0.4807692), wk = 0.0026667 k( 375) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026667 Dense grid: 256063 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 83371 G-vectors FFT dimensions: ( 45, 45, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 596, 32) NL pseudopotentials 0.38 Mb ( 298, 84) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.05 Mb ( 7113) G-vector shells 0.03 Mb ( 3384) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 596, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.08 Mb ( 84, 2, 32) The potential is recalculated from file : ./LiBeAs.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.2 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 4.0 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 4.8 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.6 secs Computing kpt #: 14 total cpu time spent up to now is 7.1 secs Computing kpt #: 15 total cpu time spent up to now is 7.6 secs Computing kpt #: 16 total cpu time spent up to now is 8.2 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.3 secs Computing kpt #: 19 total cpu time spent up to now is 9.8 secs Computing kpt #: 20 total cpu time spent up to now is 10.4 secs Computing kpt #: 21 total cpu time spent up to now is 10.8 secs Computing kpt #: 22 total cpu time spent up to now is 11.2 secs Computing kpt #: 23 total cpu time spent up to now is 11.7 secs Computing kpt #: 24 total cpu time spent up to now is 12.1 secs Computing kpt #: 25 total cpu time spent up to now is 12.6 secs Computing kpt #: 26 total cpu time spent up to now is 13.0 secs Computing kpt #: 27 total cpu time spent up to now is 13.5 secs Computing kpt #: 28 total cpu time spent up to now is 14.0 secs Computing kpt #: 29 total cpu time spent up to now is 14.6 secs Computing kpt #: 30 total cpu time spent up to now is 15.1 secs Computing kpt #: 31 total cpu time spent up to now is 15.5 secs Computing kpt #: 32 total cpu time spent up 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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 24.9 secs Computing kpt #: 51 total cpu time spent up to now is 25.3 secs Computing kpt #: 52 total cpu time spent up to now is 25.7 secs Computing kpt #: 53 total cpu time spent up to now is 26.0 secs Computing kpt #: 54 total cpu time spent up to now is 26.5 secs Computing kpt #: 55 total cpu time spent up to now is 26.9 secs Computing kpt #: 56 total cpu time spent up to now is 27.3 secs Computing kpt #: 57 total cpu time spent up to now is 27.8 secs Computing kpt #: 58 total cpu time spent up to now is 28.2 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 29.1 secs Computing kpt #: 61 total cpu time spent up to now is 29.6 secs Computing kpt #: 62 total cpu time spent up to now is 30.0 secs Computing kpt #: 63 total cpu time spent up to now is 30.4 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Computing kpt #: 172 total cpu time spent up to now is 71.5 secs Computing kpt #: 173 total cpu time spent up to now is 71.9 secs Computing kpt #: 174 total cpu time spent up to now is 72.2 secs Computing kpt #: 175 total cpu time spent up to now is 72.6 secs Computing kpt #: 176 total cpu time spent up to now is 72.9 secs Computing kpt #: 177 total cpu time spent up to now is 73.3 secs Computing kpt #: 178 total cpu time spent up to now is 73.6 secs Computing kpt #: 179 total cpu time spent up to now is 74.0 secs Computing kpt #: 180 total cpu time spent up to now is 74.4 secs Computing kpt #: 181 total cpu time spent up to now is 74.7 secs Computing kpt #: 182 total cpu time spent up to now is 75.1 secs Computing kpt #: 183 total cpu time spent up to now is 75.5 secs Computing kpt #: 184 total cpu time spent up to now is 75.9 secs Computing kpt #: 185 total cpu time spent up to now is 76.5 secs Computing kpt #: 186 total cpu time spent up to now is 77.0 secs Computing kpt #: 187 total cpu time spent up to now is 77.4 secs Computing kpt #: 188 total cpu time spent up to now is 77.9 secs Computing kpt #: 189 total cpu time spent up to now is 78.3 secs Computing kpt #: 190 total cpu time spent up to now is 78.8 secs Computing kpt #: 191 total cpu time spent up to now is 79.3 secs Computing kpt #: 192 total cpu time spent up to now is 79.7 secs Computing kpt #: 193 total cpu time spent up to now is 80.3 secs Computing kpt #: 194 total cpu time spent up to now is 80.8 secs Computing kpt #: 195 total cpu time spent up to now is 81.3 secs Computing kpt #: 196 total cpu time spent up to now is 81.7 secs Computing kpt #: 197 total cpu time spent up to now is 82.2 secs Computing kpt #: 198 total cpu time spent up to now is 82.7 secs Computing kpt #: 199 total cpu time spent up to now is 83.2 secs Computing kpt #: 200 total cpu time spent up to now is 83.6 secs Computing kpt #: 201 total cpu time spent up to now is 84.1 secs Computing kpt #: 202 total cpu time spent up 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Computing kpt #: 218 total cpu time spent up to now is 91.0 secs Computing kpt #: 219 total cpu time spent up to now is 91.4 secs Computing kpt #: 220 total cpu time spent up to now is 91.8 secs Computing kpt #: 221 total cpu time spent up to now is 92.2 secs Computing kpt #: 222 total cpu time spent up to now is 92.6 secs Computing kpt #: 223 total cpu time spent up to now is 93.0 secs Computing kpt #: 224 total cpu time spent up to now is 93.4 secs Computing kpt #: 225 total cpu time spent up to now is 93.8 secs Computing kpt #: 226 total cpu time spent up to now is 94.3 secs Computing kpt #: 227 total cpu time spent up to now is 94.7 secs Computing kpt #: 228 total cpu time spent up to now is 95.1 secs Computing kpt #: 229 total cpu time spent up to now is 95.6 secs Computing kpt #: 230 total cpu time spent up to now is 96.0 secs Computing kpt #: 231 total cpu time spent up to now is 96.4 secs Computing kpt #: 232 total cpu time spent up to now is 96.9 secs Computing kpt #: 233 total cpu time spent up to now is 97.3 secs Computing kpt #: 234 total cpu time spent up to now is 97.7 secs Computing kpt #: 235 total cpu time spent up to now is 98.1 secs Computing kpt #: 236 total cpu time spent up to now is 98.5 secs Computing kpt #: 237 total cpu time spent up to now is 98.8 secs Computing kpt #: 238 total cpu time spent up to now is 99.2 secs Computing kpt #: 239 total cpu time spent up to now is 99.6 secs Computing kpt #: 240 total cpu time spent up to now is 100.0 secs Computing kpt #: 241 total cpu time spent up to now is 100.3 secs Computing kpt #: 242 total cpu time spent up to now is 100.7 secs Computing kpt #: 243 total cpu time spent up to now is 101.1 secs Computing kpt #: 244 total cpu time spent up to now is 101.4 secs Computing kpt #: 245 total cpu time spent up to now is 101.8 secs Computing kpt #: 246 total cpu time spent up to now is 102.2 secs Computing kpt #: 247 total cpu time spent up to now is 102.5 secs Computing kpt #: 248 total cpu time spent up to now is 102.9 secs Computing kpt #: 249 total cpu time spent up to now is 103.3 secs Computing kpt #: 250 total cpu time spent up to now is 103.7 secs Computing kpt #: 251 total cpu time spent up to now is 104.2 secs Computing kpt #: 252 total cpu time spent up to now is 104.6 secs Computing kpt #: 253 total cpu time spent up to now is 105.0 secs Computing kpt #: 254 total cpu time spent up to now is 105.4 secs Computing kpt #: 255 total cpu time spent up to now is 105.8 secs Computing kpt #: 256 total cpu time spent up to now is 106.3 secs Computing kpt #: 257 total cpu time spent up to now is 106.7 secs Computing kpt #: 258 total cpu time spent up to now is 107.1 secs Computing kpt #: 259 total cpu time spent up to now is 107.5 secs Computing kpt #: 260 total cpu time spent up to now is 107.9 secs Computing kpt #: 261 total cpu time spent up to now is 108.3 secs Computing kpt #: 262 total cpu time spent up to now is 108.7 secs Computing kpt #: 263 total cpu time spent up to now is 109.1 secs Computing kpt #: 264 total cpu time spent up to now is 109.5 secs Computing kpt #: 265 total cpu time spent up to now is 109.9 secs Computing kpt #: 266 total cpu time spent up to now is 110.3 secs Computing kpt #: 267 total cpu time spent up to now is 110.7 secs Computing kpt #: 268 total cpu time spent up to now is 111.2 secs Computing kpt #: 269 total cpu time spent up to now is 111.6 secs Computing kpt #: 270 total cpu time spent up to now is 112.1 secs Computing kpt #: 271 total cpu time spent up to now is 112.5 secs Computing kpt #: 272 total cpu time spent up to now is 112.9 secs Computing kpt #: 273 total cpu time spent up to now is 113.4 secs Computing kpt #: 274 total cpu time spent up to now is 113.8 secs Computing kpt #: 275 total cpu time spent up to now is 114.2 secs Computing kpt #: 276 total cpu time spent up to now is 114.6 secs Computing kpt #: 277 total cpu time spent up to now is 115.0 secs Computing kpt #: 278 total cpu time spent up to now is 115.4 secs Computing kpt #: 279 total cpu time spent up to now is 115.8 secs Computing kpt #: 280 total cpu time spent up to now is 116.3 secs Computing kpt #: 281 total cpu time spent up to now is 116.7 secs Computing kpt #: 282 total cpu time spent up to now is 117.1 secs Computing kpt #: 283 total cpu time spent up to now is 117.6 secs Computing kpt #: 284 total cpu time spent up to now is 118.0 secs Computing kpt #: 285 total cpu time spent up to now is 118.5 secs Computing kpt #: 286 total cpu time spent up to now is 118.9 secs Computing kpt #: 287 total cpu time spent up to now is 119.4 secs Computing kpt #: 288 total cpu time spent up to now is 119.9 secs Computing kpt #: 289 total cpu time spent up to now is 120.4 secs Computing kpt #: 290 total cpu time spent up to now is 121.0 secs Computing kpt #: 291 total cpu time spent up to now is 121.5 secs Computing kpt #: 292 total cpu time spent up to now is 122.0 secs Computing kpt #: 293 total cpu time spent up to now is 122.6 secs Computing kpt #: 294 total cpu time spent up to now is 123.2 secs Computing kpt #: 295 total cpu time spent up to now is 123.7 secs Computing kpt #: 296 total cpu time spent up to now is 124.2 secs Computing kpt #: 297 total cpu time spent up to now is 124.6 secs Computing kpt #: 298 total cpu time spent up to now is 125.1 secs Computing kpt #: 299 total cpu time spent up to now is 125.5 secs Computing kpt #: 300 total cpu time spent up to now is 126.0 secs Computing kpt #: 301 total cpu time spent up to now is 126.5 secs Computing kpt #: 302 total cpu time spent up to now is 127.0 secs Computing kpt #: 303 total cpu time spent up to now is 127.5 secs Computing kpt #: 304 total cpu time spent up to now is 128.0 secs Computing kpt #: 305 total cpu time spent up to now is 128.4 secs Computing kpt #: 306 total cpu time spent up to now is 128.8 secs Computing kpt #: 307 total cpu time spent up to now is 129.2 secs Computing kpt #: 308 total cpu time spent up to now is 129.7 secs Computing kpt #: 309 total cpu time spent up to now is 130.1 secs Computing kpt #: 310 total cpu time spent up to now is 130.6 secs Computing kpt #: 311 total cpu time spent up to now is 131.0 secs Computing kpt #: 312 total cpu time spent up to now is 131.4 secs Computing kpt #: 313 total cpu time spent up to now is 131.8 secs Computing kpt #: 314 total cpu time spent up to now is 132.2 secs Computing kpt #: 315 total cpu time spent up to now is 132.6 secs Computing kpt #: 316 total cpu time spent up to now is 132.9 secs Computing kpt #: 317 total cpu time spent up to now is 133.3 secs Computing kpt #: 318 total cpu time spent up to now is 133.6 secs Computing kpt #: 319 total cpu time spent up to now is 134.0 secs Computing kpt #: 320 total cpu time spent up to now is 134.4 secs Computing kpt #: 321 total cpu time spent up to now is 134.7 secs Computing kpt #: 322 total cpu time spent up to now is 135.2 secs Computing kpt #: 323 total cpu time spent up to now is 135.6 secs Computing kpt #: 324 total cpu time spent up to now is 136.1 secs Computing kpt #: 325 total cpu time spent up to now is 136.6 secs Computing kpt #: 326 total cpu time spent up to now is 137.2 secs Computing kpt #: 327 total cpu time spent up to now is 137.7 secs Computing kpt #: 328 total cpu time spent up to now is 138.2 secs Computing kpt #: 329 total cpu time spent up to now is 138.7 secs Computing kpt #: 330 total cpu time spent up to now is 139.1 secs Computing kpt #: 331 total cpu time spent up to now is 139.5 secs Computing kpt #: 332 total cpu time spent up to now is 139.9 secs Computing kpt #: 333 total cpu time spent up to now is 140.3 secs Computing kpt #: 334 total cpu time spent up to now is 140.7 secs Computing kpt #: 335 total cpu time spent up to now is 141.1 secs Computing kpt #: 336 total cpu time spent up to now is 141.5 secs Computing kpt #: 337 total cpu time spent up to now is 141.9 secs Computing kpt #: 338 total cpu time spent up to now is 142.2 secs Computing kpt #: 339 total cpu time spent up to now is 142.6 secs Computing kpt #: 340 total cpu time spent up to now is 143.0 secs Computing kpt #: 341 total cpu time spent up to now is 143.4 secs Computing kpt #: 342 total cpu time spent up to now is 143.7 secs Computing kpt #: 343 total cpu time spent up to now is 144.1 secs Computing kpt #: 344 total cpu time spent up to now is 144.5 secs Computing kpt #: 345 total cpu time spent up to now is 144.9 secs Computing kpt #: 346 total cpu time spent up to now is 145.2 secs Computing kpt #: 347 total cpu time spent up to now is 145.6 secs Computing kpt #: 348 total cpu time spent up to now is 146.0 secs Computing kpt #: 349 total cpu time spent up to now is 146.3 secs Computing kpt #: 350 total cpu time spent up to now is 146.6 secs Computing kpt #: 351 total cpu time spent up to now is 147.0 secs Computing kpt #: 352 total cpu time spent up to now is 147.3 secs Computing kpt #: 353 total cpu time spent up to now is 147.6 secs Computing kpt #: 354 total cpu time spent up to now is 148.0 secs Computing kpt #: 355 total cpu time spent up to now is 148.3 secs Computing kpt #: 356 total cpu time spent up to now is 148.6 secs Computing kpt #: 357 total cpu time spent up to now is 148.9 secs Computing kpt #: 358 total cpu time spent up to now is 149.3 secs Computing kpt #: 359 total cpu time spent up to now is 149.6 secs Computing kpt #: 360 total cpu time spent up to now is 149.9 secs Computing kpt #: 361 total cpu time spent up to now is 150.3 secs Computing kpt #: 362 total cpu time spent up to now is 150.7 secs Computing kpt #: 363 total cpu time spent up to now is 151.0 secs Computing kpt #: 364 total cpu time spent up to now is 151.4 secs Computing kpt #: 365 total cpu time spent up to now is 151.7 secs Computing kpt #: 366 total cpu time spent up to now is 152.1 secs Computing kpt #: 367 total cpu time spent up to now is 152.4 secs Computing kpt #: 368 total cpu time spent up to now is 152.8 secs Computing kpt #: 369 total cpu time spent up to now is 153.2 secs Computing kpt #: 370 total cpu time spent up to now is 153.5 secs Computing kpt #: 371 total cpu time spent up to now is 153.9 secs Computing kpt #: 372 total cpu time spent up to now is 154.3 secs Computing kpt #: 373 total cpu time spent up to now is 154.7 secs Computing kpt #: 374 total cpu time spent up to now is 155.1 secs Computing kpt #: 375 total cpu time spent up to now is 155.5 secs ethr = 4.17E-08, avg # of iterations = 15.8 total cpu time spent up to now is 155.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10449 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6601 -6.6601 -4.9291 -4.9291 0.5541 0.5541 2.7447 2.7447 2.8534 2.8534 5.2544 5.2544 5.7990 5.7990 5.9713 5.9713 7.1840 7.1840 7.9915 7.9915 8.8919 8.8919 9.0113 9.0113 k = 0.0000 0.0119-0.0000 ( 10441 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6591 -6.6591 -4.9287 -4.9287 0.5549 0.5549 2.7408 2.7408 2.8498 2.8498 5.2548 5.2548 5.7928 5.7928 5.9647 5.9647 7.1890 7.1890 7.9964 7.9964 8.8983 8.8983 9.0198 9.0198 k = 0.0000 0.0238-0.0000 ( 10443 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6561 -6.6561 -4.9275 -4.9275 0.5574 0.5574 2.7266 2.7266 2.8418 2.8418 5.2558 5.2558 5.7717 5.7717 5.9481 5.9481 7.2035 7.2035 8.0111 8.0111 8.9130 8.9130 9.0489 9.0489 k = 0.0000 0.0357-0.0000 ( 10427 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6510 -6.6510 -4.9254 -4.9254 0.5617 0.5617 2.6967 2.6967 2.8357 2.8357 5.2561 5.2561 5.7300 5.7300 5.9298 5.9298 7.2269 7.2269 8.0362 8.0362 8.9283 8.9283 9.1041 9.1041 k = 0.0000 0.0476-0.0000 ( 10427 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6440 -6.6440 -4.9226 -4.9226 0.5675 0.5675 2.6484 2.6484 2.8359 2.8359 5.2539 5.2539 5.6648 5.6648 5.9162 5.9162 7.2579 7.2579 8.0728 8.0728 8.9407 8.9407 9.1849 9.1849 k = 0.0000 0.0595-0.0000 ( 10421 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6350 -6.6350 -4.9190 -4.9190 0.5751 0.5751 2.5838 2.5838 2.8419 2.8419 5.2463 5.2463 5.5804 5.5804 5.9083 5.9083 7.2949 7.2949 8.1222 8.1222 8.9514 8.9514 9.2864 9.2864 k = 0.0000 0.0714-0.0000 ( 10427 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.6240 -6.6240 -4.9147 -4.9147 0.5842 0.5842 2.5060 2.5060 2.8526 2.8526 5.2279 5.2279 5.4859 5.4859 5.9040 5.9040 7.3358 7.3358 8.1856 8.1856 8.9615 8.9615 9.4031 9.4031 k = 0.0000 0.0833-0.0000 ( 10421 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.6110 -6.6110 -4.9098 -4.9098 0.5950 0.5950 2.4180 2.4180 2.8670 2.8670 5.1877 5.1877 5.3960 5.3960 5.9020 5.9020 7.3787 7.3787 8.2643 8.2643 8.9719 8.9719 9.5301 9.5301 k = 0.0000 0.0952-0.0000 ( 10411 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.5960 -6.5960 -4.9042 -4.9042 0.6072 0.6072 2.3220 2.3220 2.8846 2.8846 5.1104 5.1104 5.3286 5.3286 5.9011 5.9011 7.4219 7.4219 8.3590 8.3590 8.9830 8.9830 9.6630 9.6630 k = 0.0000 0.1071-0.0000 ( 10407 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.5791 -6.5791 -4.8981 -4.8981 0.6210 0.6210 2.2199 2.2199 2.9052 2.9052 4.9988 4.9988 5.2832 5.2832 5.9007 5.9007 7.4641 7.4641 8.4694 8.4694 8.9948 8.9948 9.7964 9.7964 k = 0.0000 0.1190-0.0000 ( 10403 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7252 -40.7252 -40.7188 -40.7188 -6.5603 -6.5603 -4.8916 -4.8916 0.6361 0.6361 2.1135 2.1135 2.9284 2.9284 4.8683 4.8683 5.2460 5.2460 5.9004 5.9004 7.5048 7.5048 8.5948 8.5948 9.0075 9.0075 9.8386 9.8386 k = 0.0000 0.1310-0.0000 ( 10407 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.5396 -6.5396 -4.8848 -4.8848 0.6525 0.6525 2.0041 2.0041 2.9543 2.9543 4.7289 4.7289 5.2089 5.2089 5.9000 5.9000 7.5438 7.5438 8.7333 8.7333 9.0209 9.0209 9.8389 9.8389 k = 0.0000 0.1429-0.0000 ( 10401 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7251 -40.7251 -40.7188 -40.7188 -6.5170 -6.5170 -4.8776 -4.8776 0.6702 0.6702 1.8930 1.8930 2.9828 2.9828 4.5851 4.5851 5.1687 5.1687 5.8991 5.8991 7.5812 7.5812 8.8827 8.8827 9.0352 9.0352 9.8440 9.8440 k = 0.0000 0.1548-0.0000 ( 10405 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7250 -40.7250 -40.7189 -40.7189 -6.4925 -6.4925 -4.8704 -4.8704 0.6889 0.6889 1.7810 1.7810 3.0137 3.0137 4.4394 4.4394 5.1243 5.1243 5.8977 5.8977 7.6176 7.6176 9.0390 9.0390 9.0503 9.0503 9.8568 9.8568 k = 0.0000 0.1667-0.0000 ( 10395 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7249 -40.7249 -40.7189 -40.7189 -6.4662 -6.4662 -4.8631 -4.8631 0.7085 0.7085 1.6693 1.6693 3.0472 3.0472 4.2933 4.2933 5.0754 5.0754 5.8954 5.8954 7.6532 7.6532 9.0655 9.0655 9.1977 9.1977 9.8820 9.8820 k = 0.0000 0.1786-0.0000 ( 10411 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7249 -40.7249 -40.7190 -40.7190 -6.4382 -6.4382 -4.8560 -4.8560 0.7289 0.7289 1.5586 1.5586 3.0830 3.0830 4.1480 4.1480 5.0219 5.0219 5.8921 5.8921 7.6885 7.6885 9.0813 9.0813 9.3489 9.3489 9.9275 9.9275 k = 0.0000 0.1905-0.0000 ( 10415 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7248 -40.7248 -40.7190 -40.7190 -6.4083 -6.4083 -4.8492 -4.8492 0.7498 0.7498 1.4495 1.4495 3.1213 3.1213 4.0044 4.0044 4.9640 4.9640 5.8874 5.8874 7.7237 7.7237 9.0974 9.0974 9.4798 9.4798 10.0055 10.0055 k = 0.0000 0.2024-0.0000 ( 10415 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7247 -40.7247 -40.7191 -40.7191 -6.3768 -6.3768 -4.8427 -4.8427 0.7709 0.7709 1.3429 1.3429 3.1619 3.1619 3.8633 3.8633 4.9020 4.9020 5.8812 5.8812 7.7592 7.7592 9.1135 9.1135 9.5788 9.5788 10.1263 10.1263 k = 0.0000 0.2143-0.0000 ( 10415 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7246 -40.7246 -40.7191 -40.7191 -6.3436 -6.3436 -4.8369 -4.8369 0.7920 0.7920 1.2393 1.2393 3.2047 3.2047 3.7256 3.7256 4.8363 4.8363 5.8732 5.8732 7.7952 7.7952 9.1294 9.1294 9.6477 9.6477 10.2829 10.2829 k = 0.0000 0.2262-0.0000 ( 10423 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7245 -40.7245 -40.7192 -40.7192 -6.3087 -6.3087 -4.8318 -4.8318 0.8123 0.8123 1.1394 1.1394 3.2497 3.2497 3.5919 3.5919 4.7671 4.7671 5.8630 5.8630 7.8317 7.8317 9.1450 9.1450 9.6973 9.6973 10.3695 10.3695 k = 0.0000 0.2381-0.0000 ( 10419 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7244 -40.7244 -40.7193 -40.7193 -6.2723 -6.2723 -4.8277 -4.8277 0.8309 0.8309 1.0444 1.0444 3.2964 3.2964 3.4634 3.4634 4.6948 4.6948 5.8505 5.8505 7.8691 7.8691 9.1598 9.1598 9.7376 9.7376 10.4192 10.4192 k = 0.0000 0.2500-0.0000 ( 10419 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7242 -40.7242 -40.7193 -40.7193 -6.2343 -6.2343 -4.8246 -4.8246 0.8444 0.8444 0.9577 0.9577 3.3264 3.3264 3.3593 3.3593 4.6198 4.6198 5.8353 5.8353 7.9072 7.9072 9.1736 9.1736 9.7741 9.7741 10.4690 10.4690 k = 0.0000 0.2619-0.0000 ( 10409 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7241 -40.7241 -40.7194 -40.7194 -6.1949 -6.1949 -4.8229 -4.8229 0.8301 0.8301 0.9017 0.9017 3.2191 3.2191 3.4007 3.4007 4.5424 4.5424 5.8173 5.8173 7.9462 7.9462 9.1862 9.1862 9.8099 9.8099 10.5200 10.5200 k = 0.0000 0.2738-0.0000 ( 10403 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7240 -40.7240 -40.7195 -40.7195 -6.1541 -6.1541 -4.8227 -4.8227 0.7647 0.7647 0.8996 0.8996 3.1092 3.1092 3.4540 3.4540 4.4630 4.4630 5.7961 5.7961 7.9861 7.9861 9.1971 9.1971 9.8466 9.8466 10.5718 10.5718 k = 0.0000 0.2857-0.0000 ( 10405 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7239 -40.7239 -40.7195 -40.7195 -6.1120 -6.1120 -4.8242 -4.8242 0.6907 0.6907 0.9082 0.9082 3.0067 3.0067 3.5097 3.5097 4.3819 4.3819 5.7716 5.7716 8.0269 8.0269 9.2060 9.2060 9.8851 9.8851 10.6243 10.6243 k = 0.0000 0.2976-0.0000 ( 10403 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7238 -40.7238 -40.7196 -40.7196 -6.0687 -6.0687 -4.8276 -4.8276 0.6201 0.6201 0.9155 0.9155 2.9131 2.9131 3.5674 3.5674 4.2994 4.2994 5.7436 5.7436 8.0686 8.0686 9.2126 9.2126 9.9260 9.9260 10.6767 10.6768 k = 0.0000 0.3095-0.0000 ( 10397 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7236 -40.7236 -40.7197 -40.7197 -6.0242 -6.0242 -4.8330 -4.8330 0.5545 0.5545 0.9190 0.9190 2.8293 2.8293 3.6270 3.6270 4.2158 4.2158 5.7119 5.7119 8.1111 8.1111 9.2165 9.2165 9.9694 9.9694 10.6214 10.6214 k = 0.0000 0.3214-0.0000 ( 10405 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7235 -40.7235 -40.7198 -40.7198 -5.9787 -5.9787 -4.8405 -4.8405 0.4948 0.4948 0.9174 0.9174 2.7562 2.7562 3.6884 3.6884 4.1316 4.1316 5.6765 5.6765 8.1544 8.1544 9.2175 9.2175 10.0155 10.0155 10.5724 10.5724 k = 0.0000 0.3333-0.0000 ( 10419 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7234 -40.7234 -40.7199 -40.7199 -5.9322 -5.9322 -4.8505 -4.8505 0.4413 0.4413 0.9100 0.9100 2.6948 2.6948 3.7512 3.7512 4.0473 4.0473 5.6372 5.6372 8.1984 8.1984 9.2153 9.2153 10.0644 10.0644 10.5317 10.5317 k = 0.0000 0.3452-0.0000 ( 10409 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7232 -40.7232 -40.7200 -40.7200 -5.8848 -5.8848 -4.8628 -4.8628 0.3943 0.3943 0.8962 0.8962 2.6455 2.6455 3.8141 3.8141 3.9642 3.9642 5.5942 5.5942 8.2431 8.2431 9.2096 9.2096 10.1159 10.1159 10.4995 10.4995 k = 0.0000 0.3571-0.0000 ( 10413 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7231 -40.7231 -40.7201 -40.7201 -5.8367 -5.8367 -4.8778 -4.8778 0.3539 0.3539 0.8757 0.8757 2.6089 2.6089 3.8535 3.8535 3.9062 3.9062 5.5475 5.5475 8.2884 8.2884 9.2003 9.2003 10.1699 10.1699 10.4757 10.4757 k = 0.0000 0.3690-0.0000 ( 10429 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7230 -40.7230 -40.7202 -40.7202 -5.7880 -5.7880 -4.8954 -4.8954 0.3202 0.3202 0.8487 0.8487 2.5849 2.5849 3.7851 3.7851 3.9578 3.9578 5.4971 5.4971 8.3343 8.3343 9.1874 9.1874 10.2261 10.2261 10.4605 10.4605 k = 0.0000 0.3810-0.0000 ( 10429 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7228 -40.7228 -40.7203 -40.7203 -5.7388 -5.7388 -4.9157 -4.9157 0.2933 0.2933 0.8158 0.8158 2.5730 2.5730 3.7022 3.7022 4.0257 4.0257 5.4433 5.4433 8.3806 8.3806 9.1708 9.1708 10.2841 10.2841 10.4538 10.4538 k = 0.0000 0.3929-0.0000 ( 10425 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7227 -40.7227 -40.7204 -40.7204 -5.6892 -5.6892 -4.9386 -4.9386 0.2732 0.2732 0.7776 0.7776 2.5727 2.5727 3.6188 3.6188 4.0960 4.0960 5.3862 5.3862 8.4273 8.4273 9.1507 9.1507 10.3426 10.3426 10.4563 10.4563 k = 0.0000 0.4048-0.0000 ( 10427 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7226 -40.7226 -40.7205 -40.7205 -5.6395 -5.6395 -4.9643 -4.9643 0.2599 0.2599 0.7352 0.7352 2.5831 2.5831 3.5361 3.5361 4.1679 4.1679 5.3260 5.3260 8.4742 8.4742 9.1271 9.1271 10.3987 10.3987 10.4704 10.4704 k = 0.0000 0.4167-0.0000 ( 10439 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7224 -40.7224 -40.7206 -40.7206 -5.5897 -5.5897 -4.9926 -4.9926 0.2533 0.2533 0.6898 0.6898 2.6031 2.6031 3.4544 3.4544 4.2409 4.2409 5.2630 5.2630 8.5212 8.5212 9.1002 9.1002 10.4441 10.4441 10.5036 10.5036 k = 0.0000 0.4286-0.0000 ( 10441 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7223 -40.7223 -40.7208 -40.7208 -5.5401 -5.5401 -5.0234 -5.0234 0.2533 0.2533 0.6425 0.6425 2.6317 2.6317 3.3740 3.3740 4.3148 4.3148 5.1974 5.1974 8.5682 8.5682 9.0703 9.0703 10.4769 10.4769 10.5565 10.5565 k = 0.0000 0.4405-0.0000 ( 10435 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7222 -40.7222 -40.7209 -40.7209 -5.4908 -5.4908 -5.0568 -5.0568 0.2596 0.2596 0.5945 0.5945 2.6680 2.6680 3.2952 3.2952 4.3894 4.3894 5.1296 5.1296 8.6151 8.6151 9.0376 9.0376 10.5080 10.5080 10.6172 10.6172 k = 0.0000 0.4524-0.0000 ( 10414 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7220 -40.7220 -40.7210 -40.7210 -5.4419 -5.4419 -5.0924 -5.0924 0.2721 0.2721 0.5469 0.5469 2.7111 2.7111 3.2184 3.2184 4.4647 4.4647 5.0599 5.0599 8.6618 8.6618 9.0025 9.0025 10.5422 10.5422 10.6792 10.6792 k = 0.0000 0.4643-0.0000 ( 10418 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7219 -40.7219 -40.7211 -40.7211 -5.3938 -5.3938 -5.1303 -5.1303 0.2905 0.2905 0.5004 0.5004 2.7600 2.7600 3.1436 3.1436 4.5402 4.5402 4.9884 4.9884 8.7080 8.7080 8.9651 8.9651 10.5805 10.5805 10.7398 10.7398 k = 0.0000 0.4762-0.0000 ( 10430 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7218 -40.7218 -40.7212 -40.7212 -5.3466 -5.3466 -5.1702 -5.1702 0.3143 0.3143 0.4561 0.4561 2.8141 2.8141 3.0714 3.0714 4.6159 4.6159 4.9156 4.9156 8.7535 8.7535 8.9257 8.9257 10.6225 10.6225 10.7962 10.7962 k = 0.0000 0.4881-0.0000 ( 10434 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7216 -40.7216 -40.7214 -40.7214 -5.3004 -5.3004 -5.2120 -5.2120 0.3433 0.3433 0.4148 0.4148 2.8729 2.8729 3.0019 3.0019 4.6916 4.6916 4.8417 4.8417 8.7983 8.7983 8.8846 8.8846 10.6675 10.6675 10.7628 10.7628 k = 0.0000 0.5000-0.0000 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2554 -5.2554 -5.2554 -5.2554 0.3769 0.3769 0.3769 0.3769 2.9356 2.9356 2.9356 2.9356 4.7669 4.7669 4.7669 4.7669 8.8421 8.8421 8.8421 8.8421 10.7147 10.7147 10.7147 10.7147 k = 0.0000 0.5000-0.0000 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2554 -5.2554 -5.2554 -5.2554 0.3769 0.3769 0.3769 0.3769 2.9356 2.9356 2.9356 2.9356 4.7669 4.7669 4.7669 4.7669 8.8421 8.8421 8.8421 8.8421 10.7147 10.7147 10.7147 10.7147 k = 0.0119 0.5000-0.0000 ( 10434 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2546 -5.2546 -5.2545 -5.2545 0.3777 0.3777 0.3779 0.3779 2.9335 2.9335 2.9369 2.9369 4.7561 4.7561 4.7601 4.7601 8.8532 8.8532 8.8539 8.8539 10.6323 10.6323 10.6762 10.6762 k = 0.0238 0.5000-0.0000 ( 10422 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2521 -5.2521 -5.2519 -5.2519 0.3802 0.3802 0.3806 0.3806 2.9307 2.9307 2.9375 2.9375 4.7280 4.7280 4.7360 4.7360 8.8870 8.8870 8.8884 8.8884 10.5139 10.5139 10.5610 10.5610 k = 0.0357 0.5000-0.0000 ( 10416 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2480 -5.2480 -5.2476 -5.2476 0.3844 0.3844 0.3850 0.3850 2.9269 2.9269 2.9372 2.9372 4.6837 4.6837 4.6957 4.6957 8.9418 8.9418 8.9440 8.9440 10.3854 10.3854 10.4298 10.4298 k = 0.0476 0.5000-0.0000 ( 10428 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2421 -5.2421 -5.2417 -5.2417 0.3902 0.3902 0.3911 0.3911 2.9220 2.9220 2.9361 2.9361 4.6248 4.6248 4.6410 4.6410 9.0149 9.0149 9.0179 9.0179 10.2537 10.2537 10.2946 10.2946 k = 0.0595 0.5000-0.0000 ( 10428 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2346 -5.2346 -5.2341 -5.2341 0.3977 0.3977 0.3988 0.3988 2.9157 2.9157 2.9340 2.9340 4.5532 4.5532 4.5738 4.5738 9.1022 9.1022 9.1059 9.1059 10.1241 10.1241 10.1615 10.1615 k = 0.0714 0.5000-0.0000 ( 10420 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2254 -5.2254 -5.2248 -5.2248 0.4068 0.4068 0.4082 0.4082 2.9079 2.9079 2.9306 2.9306 4.4711 4.4711 4.4965 4.4965 9.1963 9.1963 9.2006 9.2006 10.0039 10.0039 10.0375 10.0375 k = 0.0833 0.5000-0.0000 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2146 -5.2146 -5.2139 -5.2139 0.4175 0.4175 0.4191 0.4191 2.8981 2.8981 2.9257 2.9257 4.3808 4.3808 4.4114 4.4114 9.2822 9.2822 9.2860 9.2860 9.9079 9.9079 9.9367 9.9367 k = 0.0952 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.2022 -5.2022 -5.2014 -5.2014 0.4296 0.4296 0.4316 0.4316 2.8859 2.8859 2.9189 2.9189 4.2846 4.2846 4.3207 4.3207 9.3298 9.3298 9.3299 9.3299 9.8674 9.8674 9.8877 9.8877 k = 0.1071 0.5000-0.0000 ( 10390 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1883 -5.1883 -5.1874 -5.1874 0.4432 0.4432 0.4455 0.4455 2.8707 2.8707 2.9097 2.9097 4.1845 4.1845 4.2268 4.2268 9.3006 9.3006 9.3070 9.3070 9.9124 9.9124 9.9210 9.9210 k = 0.1190 0.5000-0.0000 ( 10390 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1728 -5.1728 -5.1718 -5.1718 0.4580 0.4580 0.4607 0.4607 2.8519 2.8519 2.8976 2.8976 4.0828 4.0828 4.1317 4.1317 9.2141 9.2141 9.2243 9.2243 10.0228 10.0228 10.0254 10.0254 k = 0.1310 0.5000-0.0000 ( 10402 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1559 -5.1559 -5.1548 -5.1548 0.4740 0.4740 0.4772 0.4772 2.8288 2.8288 2.8817 2.8817 3.9814 3.9814 4.0376 4.0376 9.1014 9.1014 9.1126 9.1126 10.1548 10.1548 10.1714 10.1714 k = 0.1429 0.5000-0.0000 ( 10410 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1376 -5.1376 -5.1364 -5.1364 0.4911 0.4911 0.4948 0.4948 2.8005 2.8005 2.8612 2.8612 3.8824 3.8824 3.9463 3.9463 8.9786 8.9786 8.9895 8.9895 10.2728 10.2728 10.3166 10.3166 k = 0.1548 0.5000-0.0000 ( 10414 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1179 -5.1179 -5.1166 -5.1166 0.5091 0.5091 0.5133 0.5133 2.7664 2.7664 2.8352 2.8352 3.7877 3.7877 3.8595 3.8595 8.8526 8.8526 8.8626 8.8626 10.2965 10.2965 10.3557 10.3557 k = 0.1667 0.5000-0.0000 ( 10422 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.0969 -5.0969 -5.0955 -5.0955 0.5277 0.5277 0.5327 0.5327 2.7259 2.7259 2.8027 2.8027 3.6993 3.6993 3.7788 3.7788 8.7267 8.7267 8.7354 8.7354 10.2275 10.2275 10.2717 10.2717 k = 0.1786 0.5000-0.0000 ( 10404 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0746 -5.0746 -5.0732 -5.0732 0.5469 0.5469 0.5525 0.5525 2.6788 2.6788 2.7629 2.7629 3.6186 3.6186 3.7051 3.7051 8.6025 8.6025 8.6100 8.6100 10.1281 10.1281 10.1626 10.1626 k = 0.1905 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0512 -5.0512 -5.0497 -5.0497 0.5662 0.5662 0.5727 0.5727 2.6252 2.6252 2.7154 2.7154 3.5468 3.5468 3.6391 3.6391 8.4812 8.4812 8.4873 8.4873 10.0190 10.0190 10.0475 10.0475 k = 0.2024 0.5000-0.0000 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0268 -5.0268 -5.0252 -5.0252 0.5854 0.5854 0.5928 0.5928 2.5658 2.5658 2.6607 2.6607 3.4841 3.4841 3.5806 3.5806 8.3636 8.3636 8.3683 8.3683 9.9058 9.9058 9.9301 9.9301 k = 0.2143 0.5000-0.0000 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0013 -5.0013 -4.9997 -4.9997 0.6042 0.6042 0.6125 0.6125 2.5017 2.5017 2.5999 2.5999 3.4301 3.4301 3.5292 3.5292 8.2502 8.2502 8.2536 8.2536 9.7908 9.7908 9.8120 9.8120 k = 0.2262 0.5000-0.0000 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -4.9750 -4.9750 -4.9733 -4.9733 0.6219 0.6219 0.6312 0.6312 2.4347 2.4347 2.5345 2.5345 3.3838 3.3838 3.4839 3.4839 8.1415 8.1415 8.1436 8.1436 9.6751 9.6751 9.6939 9.6939 k = 0.2381 0.5000-0.0000 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.9479 -4.9479 -4.9462 -4.9462 0.6381 0.6381 0.6486 0.6486 2.3664 2.3664 2.4669 2.4669 3.3437 3.3437 3.4437 3.4437 8.0379 8.0379 8.0389 8.0389 9.5595 9.5595 9.5763 9.5763 k = 0.2500 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.9202 -4.9202 -4.9185 -4.9185 0.6523 0.6523 0.6639 0.6639 2.2987 2.2987 2.3991 2.3991 3.3083 3.3083 3.4073 3.4073 7.9397 7.9397 7.9398 7.9398 9.4445 9.4445 9.4596 9.4596 k = 0.2619 0.5000-0.0000 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.8920 -4.8920 -4.8902 -4.8902 0.6638 0.6638 0.6765 0.6765 2.2337 2.2337 2.3334 2.3334 3.2762 3.2762 3.3737 3.3737 7.8464 7.8464 7.8476 7.8476 9.3305 9.3305 9.3441 9.3441 k = 0.2738 0.5000-0.0000 ( 10404 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.8634 -4.8634 -4.8616 -4.8616 0.6720 0.6720 0.6856 0.6856 2.1731 2.1731 2.2719 2.2719 3.2461 3.2461 3.3418 3.3418 7.7594 7.7594 7.7616 7.7616 9.2179 9.2179 9.2301 9.2301 k = 0.2857 0.5000-0.0000 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.8346 -4.8346 -4.8327 -4.8327 0.6761 0.6761 0.6906 0.6906 2.1185 2.1185 2.2162 2.2162 3.2169 3.2169 3.3108 3.3108 7.6788 7.6788 7.6820 7.6820 9.1068 9.1068 9.1179 9.1179 k = 0.2976 0.5000-0.0000 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.8057 -4.8057 -4.8038 -4.8038 0.6757 0.6757 0.6907 0.6907 2.0716 2.0716 2.1678 2.1678 3.1879 3.1879 3.2798 3.2798 7.6051 7.6051 7.6090 7.6090 8.9977 8.9977 9.0077 9.0077 k = 0.3095 0.5000-0.0000 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7769 -4.7769 -4.7750 -4.7750 0.6701 0.6701 0.6854 0.6854 2.0334 2.0334 2.1281 2.1281 3.1583 3.1583 3.2484 3.2484 7.5382 7.5382 7.5428 7.5428 8.8907 8.8907 8.8996 8.8996 k = 0.3214 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7483 -4.7483 -4.7465 -4.7465 0.6594 0.6594 0.6746 0.6746 2.0047 2.0047 2.0976 2.0976 3.1276 3.1276 3.2159 3.2159 7.4785 7.4785 7.4837 7.4837 8.7860 8.7860 8.7941 8.7941 k = 0.3333 0.5000-0.0000 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7203 -4.7203 -4.7185 -4.7185 0.6435 0.6435 0.6582 0.6582 1.9861 1.9861 2.0770 2.0770 3.0955 3.0955 3.1821 3.1821 7.4260 7.4260 7.4316 7.4316 8.6840 8.6840 8.6912 8.6912 k = 0.3452 0.5000-0.0000 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.6929 -4.6929 -4.6911 -4.6911 0.6230 0.6230 0.6368 0.6368 1.9773 1.9773 2.0660 2.0660 3.0617 3.0617 3.1466 3.1466 7.3807 7.3807 7.3867 7.3867 8.5849 8.5849 8.5913 8.5913 k = 0.3571 0.5000-0.0000 ( 10378 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6663 -4.6663 -4.6647 -4.6647 0.5985 0.5985 0.6112 0.6112 1.9780 1.9780 2.0644 2.0644 3.0259 3.0259 3.1093 3.1093 7.3426 7.3426 7.3489 7.3489 8.4889 8.4889 8.4944 8.4944 k = 0.3690 0.5000-0.0000 ( 10382 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6408 -4.6408 -4.6393 -4.6393 0.5709 0.5709 0.5824 0.5824 1.9875 1.9875 2.0714 2.0714 2.9882 2.9882 3.0700 3.0700 7.3117 7.3117 7.3181 7.3181 8.3962 8.3962 8.4011 8.4011 k = 0.3810 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6167 -4.6167 -4.6152 -4.6152 0.5414 0.5414 0.5515 0.5515 2.0046 2.0046 2.0863 2.0863 2.9485 2.9485 3.0288 3.0288 7.2877 7.2877 7.2941 7.2941 8.3073 8.3073 8.3114 8.3114 k = 0.3929 0.5000-0.0000 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5940 -4.5940 -4.5926 -4.5926 0.5111 0.5111 0.5198 0.5198 2.0286 2.0286 2.1079 2.1079 2.9070 2.9070 2.9857 2.9857 7.2705 7.2705 7.2768 7.2768 8.2224 8.2224 8.2259 8.2259 k = 0.4048 0.5000-0.0000 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5729 -4.5729 -4.5717 -4.5717 0.4810 0.4810 0.4885 0.4885 2.0583 2.0583 2.1354 2.1354 2.8637 2.8637 2.9409 2.9409 7.2596 7.2596 7.2657 7.2657 8.1420 8.1420 8.1448 8.1448 k = 0.4167 0.5000-0.0000 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5538 -4.5538 -4.5527 -4.5527 0.4522 0.4522 0.4585 0.4585 2.0927 2.0927 2.1678 2.1678 2.8191 2.8191 2.8946 2.8946 7.2547 7.2547 7.2604 7.2604 8.0666 8.0666 8.0688 8.0688 k = 0.4286 0.5000-0.0000 ( 10378 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5368 -4.5368 -4.5358 -4.5358 0.4255 0.4255 0.4306 0.4306 2.1310 2.1310 2.2038 2.2038 2.7734 2.7734 2.8470 2.8470 7.2549 7.2549 7.2602 7.2602 7.9969 7.9969 7.9984 7.9984 k = 0.4405 0.5000-0.0000 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5221 -4.5221 -4.5212 -4.5212 0.4017 0.4017 0.4058 0.4058 2.1721 2.1721 2.2424 2.2424 2.7275 2.7275 2.7987 2.7987 7.2595 7.2595 7.2643 7.2643 7.9336 7.9336 7.9346 7.9346 k = 0.4524 0.5000-0.0000 ( 10370 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5098 -4.5098 -4.5091 -4.5091 0.3815 0.3815 0.3846 0.3846 2.2151 2.2151 2.2820 2.2820 2.6825 2.6825 2.7503 2.7503 7.2674 7.2674 7.2715 7.2715 7.8779 7.8779 7.8786 7.8786 k = 0.4643 0.5000-0.0000 ( 10378 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5000 -4.5000 -4.4995 -4.4995 0.3653 0.3653 0.3676 0.3676 2.2587 2.2587 2.3203 2.3203 2.6403 2.6403 2.7027 2.7027 7.2769 7.2769 7.2802 7.2802 7.8314 7.8314 7.8317 7.8317 k = 0.4762 0.5000-0.0000 ( 10386 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4929 -4.4929 -4.4926 -4.4926 0.3535 0.3535 0.3550 0.3550 2.3010 2.3010 2.3526 2.3526 2.6054 2.6054 2.6575 2.6575 7.2862 7.2862 7.2886 7.2886 7.7958 7.7958 7.7958 7.7958 k = 0.4881 0.5000-0.0000 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4886 -4.4886 -4.4884 -4.4884 0.3465 0.3465 0.3472 0.3472 2.3387 2.3387 2.3705 2.3705 2.5861 2.5861 2.6182 2.6182 7.2933 7.2933 7.2945 7.2945 7.7732 7.7732 7.7732 7.7732 k = 0.5000 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4871 -4.4871 -4.4871 -4.4871 0.3443 0.3443 0.3443 0.3443 2.3651 2.3651 2.3651 2.3651 2.5911 2.5911 2.5911 2.5911 7.2963 7.2963 7.2963 7.2963 7.7654 7.7654 7.7654 7.7654 k = 0.5000 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4871 -4.4871 -4.4871 -4.4871 0.3443 0.3443 0.3443 0.3443 2.3651 2.3651 2.3651 2.3651 2.5911 2.5911 2.5911 2.5911 7.2963 7.2963 7.2963 7.2963 7.7654 7.7654 7.7654 7.7654 k = 0.4917 0.4917-0.0000 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4897 -4.4897 -4.4873 -4.4873 0.3454 0.3454 0.3482 0.3482 2.3356 2.3356 2.3753 2.3753 2.5808 2.5808 2.6218 2.6218 7.2906 7.2906 7.2974 7.2974 7.7684 7.7684 7.7776 7.7776 k = 0.4833 0.4833-0.0000 ( 10382 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4976 -4.4976 -4.4877 -4.4877 0.3487 0.3487 0.3595 0.3595 2.2851 2.2851 2.3812 2.3812 2.5741 2.5741 2.6760 2.6760 7.2752 7.2752 7.3006 7.3006 7.7773 7.7773 7.8124 7.8124 k = 0.4750 0.4750-0.0000 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5106 -4.5106 -4.4884 -4.4884 0.3542 0.3542 0.3782 0.3782 2.2250 2.2250 2.3885 2.3885 2.5654 2.5654 2.7426 2.7426 7.2543 7.2543 7.3058 7.3058 7.7921 7.7921 7.8657 7.8657 k = 0.4667 0.4667-0.0000 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5285 -4.5285 -4.4895 -4.4895 0.3618 0.3618 0.4041 0.4041 2.1617 2.1617 2.3980 2.3980 2.5540 2.5540 2.8151 2.8151 7.2318 7.2318 7.3132 7.3132 7.8129 7.8129 7.9335 7.9335 k = 0.4583 0.4583-0.0000 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5512 -4.5512 -4.4908 -4.4908 0.3717 0.3717 0.4369 0.4369 2.0979 2.0979 2.4102 2.4102 2.5396 2.5396 2.8906 2.8906 7.2105 7.2105 7.3226 7.3226 7.8397 7.8397 8.0128 8.0128 k = 0.4500 0.4500-0.0000 ( 10386 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5785 -4.5785 -4.4925 -4.4925 0.3837 0.3837 0.4763 0.4763 2.0349 2.0349 2.4249 2.4249 2.5226 2.5226 2.9678 2.9678 7.1923 7.1923 7.3341 7.3341 7.8725 7.8725 8.1015 8.1015 k = 0.4417 0.4417-0.0000 ( 10382 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7209 -40.7209 -4.6100 -4.6100 -4.4945 -4.4945 0.3978 0.3978 0.5219 0.5219 1.9736 1.9736 2.4422 2.4422 2.5033 2.5033 3.0458 3.0458 7.1785 7.1785 7.3477 7.3477 7.9114 7.9114 8.1984 8.1984 k = 0.4333 0.4333-0.0000 ( 10388 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7211 -40.7211 -40.7208 -40.7208 -4.6454 -4.6454 -4.4969 -4.4969 0.4142 0.4142 0.5731 0.5731 1.9143 1.9143 2.4616 2.4616 2.4823 2.4823 3.1243 3.1243 7.1697 7.1697 7.3634 7.3634 7.9563 7.9563 8.3025 8.3025 k = 0.4250 0.4250-0.0000 ( 10384 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7212 -40.7212 -40.7208 -40.7208 -4.6844 -4.6844 -4.4996 -4.4996 0.4326 0.4326 0.6294 0.6294 1.8574 1.8574 2.4572 2.4572 2.4860 2.4860 3.2028 3.2028 7.1665 7.1665 7.3811 7.3811 8.0074 8.0074 8.4132 8.4132 k = 0.4167 0.4167-0.0000 ( 10390 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7212 -40.7212 -40.7208 -40.7208 -4.7267 -4.7267 -4.5027 -4.5027 0.4532 0.4532 0.6903 0.6903 1.8032 1.8032 2.4329 2.4329 2.5109 2.5109 3.2811 3.2811 7.1690 7.1690 7.4008 7.4008 8.0647 8.0647 8.5300 8.5300 k = 0.4083 0.4083-0.0000 ( 10382 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7213 -40.7213 -40.7207 -40.7207 -4.7720 -4.7720 -4.5062 -4.5062 0.4760 0.4760 0.7550 0.7550 1.7518 1.7518 2.4074 2.4074 2.5388 2.5388 3.3589 3.3589 7.1775 7.1775 7.4227 7.4227 8.1281 8.1281 8.6525 8.6525 k = 0.4000 0.4000-0.0000 ( 10376 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7214 -40.7214 -40.7207 -40.7207 -4.8198 -4.8198 -4.5102 -4.5102 0.5009 0.5009 0.8227 0.8227 1.7035 1.7035 2.3817 2.3817 2.5694 2.5694 3.4359 3.4359 7.1921 7.1921 7.4465 7.4465 8.1977 8.1977 8.7803 8.7803 k = 0.3917 0.3917-0.0000 ( 10370 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7214 -40.7214 -40.7207 -40.7207 -4.8698 -4.8698 -4.5145 -4.5145 0.5278 0.5278 0.8926 0.8926 1.6583 1.6583 2.3566 2.3566 2.6026 2.6026 3.5121 3.5121 7.2129 7.2129 7.4724 7.4724 8.2735 8.2735 8.9132 8.9132 k = 0.3833 0.3833-0.0000 ( 10358 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7215 -40.7215 -40.7206 -40.7206 -4.9218 -4.9218 -4.5193 -4.5193 0.5568 0.5568 0.9635 0.9635 1.6165 1.6165 2.3330 2.3330 2.6385 2.6385 3.5872 3.5872 7.2397 7.2397 7.5002 7.5002 8.3554 8.3554 9.0509 9.0509 k = 0.3750 0.3750-0.0000 ( 10358 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7216 -40.7216 -40.7206 -40.7206 -4.9755 -4.9755 -4.5246 -4.5246 0.5878 0.5878 1.0342 1.0342 1.5781 1.5781 2.3120 2.3120 2.6770 2.6770 3.6611 3.6611 7.2727 7.2727 7.5300 7.5300 8.4435 8.4435 9.1933 9.1933 k = 0.3667 0.3667-0.0000 ( 10366 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7217 -40.7217 -40.7205 -40.7205 -5.0305 -5.0305 -4.5304 -4.5304 0.6208 0.6208 1.1030 1.1030 1.5433 1.5433 2.2952 2.2952 2.7181 2.7181 3.7338 3.7338 7.3117 7.3117 7.5617 7.5617 8.5376 8.5376 9.3399 9.3399 k = 0.3583 0.3583-0.0000 ( 10384 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7218 -40.7218 -40.7205 -40.7205 -5.0866 -5.0866 -4.5366 -4.5366 0.6558 0.6558 1.1682 1.1682 1.5121 1.5121 2.2842 2.2842 2.7617 2.7617 3.8050 3.8050 7.3567 7.3567 7.5953 7.5953 8.6377 8.6377 9.4908 9.4908 k = 0.3500 0.3500-0.0000 ( 10390 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7219 -40.7219 -40.7204 -40.7204 -5.1435 -5.1435 -4.5433 -4.5433 0.6927 0.6927 1.2276 1.2276 1.4847 1.4847 2.2810 2.2810 2.8079 2.8079 3.8749 3.8749 7.4077 7.4077 7.6308 7.6308 8.7438 8.7438 9.6456 9.6456 k = 0.3417 0.3417-0.0000 ( 10398 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7220 -40.7220 -40.7204 -40.7204 -5.2009 -5.2009 -4.5505 -4.5505 0.7315 0.7315 1.2790 1.2790 1.4612 1.4612 2.2879 2.2879 2.8567 2.8567 3.9433 3.9433 7.4645 7.4645 7.6681 7.6681 8.8555 8.8555 9.8041 9.8041 k = 0.3333 0.3333-0.0000 ( 10396 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7221 -40.7221 -40.7203 -40.7203 -5.2588 -5.2588 -4.5583 -4.5583 0.7723 0.7723 1.3200 1.3200 1.4417 1.4417 2.3069 2.3069 2.9081 2.9081 4.0101 4.0101 7.5272 7.5272 7.7073 7.7073 8.9728 8.9728 9.9662 9.9662 k = 0.3250 0.3250-0.0000 ( 10408 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7222 -40.7222 -40.7203 -40.7203 -5.3168 -5.3168 -4.5665 -4.5665 0.8148 0.8148 1.3489 1.3489 1.4265 1.4265 2.3394 2.3394 2.9619 2.9619 4.0755 4.0755 7.5956 7.5956 7.7482 7.7482 9.0954 9.0954 10.1315 10.1315 k = 0.3167 0.3167-0.0000 ( 10408 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7223 -40.7223 -40.7202 -40.7202 -5.3748 -5.3748 -4.5752 -4.5752 0.8590 0.8590 1.3650 1.3650 1.4161 1.4161 2.3857 2.3857 3.0183 3.0183 4.1393 4.1393 7.6695 7.6695 7.7909 7.7909 9.2230 9.2230 10.2998 10.2998 k = 0.3083 0.3083-0.0000 ( 10408 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7224 -40.7224 -40.7202 -40.7202 -5.4326 -5.4326 -4.5844 -4.5844 0.9049 0.9049 1.3686 1.3686 1.4108 1.4108 2.4453 2.4453 3.0771 3.0771 4.2017 4.2017 7.7490 7.7490 7.8352 7.8352 9.3554 9.3554 10.4707 10.4707 k = 0.3000 0.3000-0.0000 ( 10408 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7225 -40.7225 -40.7201 -40.7201 -5.4901 -5.4901 -4.5941 -4.5941 0.9523 0.9523 1.3628 1.3628 1.4089 1.4089 2.5165 2.5165 3.1384 3.1384 4.2625 4.2625 7.8338 7.8338 7.8811 7.8811 9.4921 9.4921 10.6437 10.6437 k = 0.2917 0.2917-0.0000 ( 10404 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7226 -40.7226 -40.7201 -40.7201 -5.5471 -5.5471 -4.6043 -4.6043 1.0011 1.0011 1.3505 1.3505 1.4095 1.4095 2.5974 2.5974 3.2021 3.2021 4.3220 4.3220 7.9238 7.9238 7.9286 7.9286 9.6325 9.6325 10.8180 10.8180 k = 0.2833 0.2833-0.0000 ( 10416 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7228 -40.7228 -40.7200 -40.7200 -5.6034 -5.6034 -4.6148 -4.6148 1.0508 1.0508 1.3330 1.3330 1.4135 1.4135 2.6864 2.6864 3.2682 3.2682 4.3800 4.3800 7.9774 7.9774 8.0191 8.0191 9.7761 9.7761 10.9924 10.9924 k = 0.2750 0.2750-0.0000 ( 10404 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7229 -40.7229 -40.7199 -40.7199 -5.6590 -5.6590 -4.6258 -4.6258 1.1008 1.1008 1.3118 1.3118 1.4214 1.4214 2.7816 2.7816 3.3368 3.3368 4.4367 4.4367 8.0277 8.0277 8.1191 8.1191 9.9220 9.9220 11.1647 11.1647 k = 0.2667 0.2667-0.0000 ( 10410 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7230 -40.7230 -40.7199 -40.7199 -5.7138 -5.7138 -4.6371 -4.6371 1.1487 1.1487 1.2903 1.2903 1.4336 1.4336 2.8817 2.8817 3.4076 3.4076 4.4921 4.4921 8.0792 8.0792 8.2238 8.2238 10.0690 10.0690 11.3283 11.3283 k = 0.2583 0.2583-0.0000 ( 10402 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7231 -40.7231 -40.7198 -40.7198 -5.7676 -5.7676 -4.6488 -4.6488 1.1851 1.1851 1.2788 1.2788 1.4499 1.4499 2.9857 2.9857 3.4808 3.4808 4.5462 4.5462 8.1319 8.1319 8.3329 8.3329 10.2154 10.2154 11.3146 11.3146 k = 0.2500 0.2500-0.0000 ( 10398 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7232 -40.7232 -40.7198 -40.7198 -5.8203 -5.8203 -4.6608 -4.6608 1.1877 1.1877 1.3001 1.3001 1.4706 1.4706 3.0926 3.0926 3.5563 3.5563 4.5991 4.5991 8.1855 8.1855 8.4462 8.4462 10.3589 10.3589 11.1055 11.1055 k = 0.2417 0.2417-0.0000 ( 10406 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7234 -40.7234 -40.7197 -40.7197 -5.8719 -5.8719 -4.6730 -4.6730 1.1649 1.1649 1.3463 1.3463 1.4956 1.4956 3.2018 3.2018 3.6341 3.6341 4.6507 4.6507 8.2400 8.2400 8.5631 8.5631 10.4955 10.4955 10.8954 10.8954 k = 0.2333 0.2333-0.0000 ( 10406 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7235 -40.7235 -40.7196 -40.7196 -5.9223 -5.9223 -4.6854 -4.6854 1.1345 1.1345 1.3998 1.3998 1.5251 1.5251 3.3125 3.3125 3.7141 3.7141 4.7012 4.7012 8.2951 8.2951 8.6833 8.6833 10.6077 10.6077 10.7009 10.7009 k = 0.2250 0.2250-0.0000 ( 10410 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7236 -40.7236 -40.7196 -40.7196 -5.9714 -5.9714 -4.6981 -4.6981 1.1017 1.1017 1.4553 1.4553 1.5594 1.5594 3.4245 3.4245 3.7962 3.7962 4.7504 4.7504 8.3506 8.3506 8.8062 8.8062 10.4690 10.4690 10.7430 10.7430 k = 0.2167 0.2167-0.0000 ( 10404 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7237 -40.7237 -40.7195 -40.7195 -6.0192 -6.0192 -4.7108 -4.7108 1.0681 1.0681 1.5109 1.5109 1.5990 1.5990 3.5371 3.5371 3.8805 3.8805 4.7985 4.7985 8.4062 8.4062 8.9309 8.9309 10.2672 10.2672 10.8050 10.8050 k = 0.2083 0.2083-0.0000 ( 10410 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7238 -40.7238 -40.7195 -40.7195 -6.0655 -6.0655 -4.7236 -4.7236 1.0342 1.0342 1.5654 1.5654 1.6444 1.6444 3.6502 3.6502 3.9669 3.9669 4.8454 4.8454 8.4613 8.4613 9.0565 9.0565 10.0669 10.0669 10.6646 10.6646 k = 0.2000 0.2000-0.0000 ( 10420 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7240 -40.7240 -40.7194 -40.7194 -6.1104 -6.1104 -4.7364 -4.7364 1.0005 1.0005 1.6184 1.6184 1.6956 1.6956 3.7633 3.7633 4.0554 4.0554 4.8910 4.8910 8.5157 8.5157 9.1814 9.1814 9.8699 9.8699 10.5142 10.5142 k = 0.1917 0.1917-0.0000 ( 10416 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7241 -40.7241 -40.7193 -40.7193 -6.1537 -6.1537 -4.7492 -4.7492 0.9674 0.9674 1.6703 1.6703 1.7517 1.7517 3.8761 3.8761 4.1458 4.1458 4.9354 4.9354 8.5684 8.5684 9.3040 9.3040 9.6768 9.6768 10.3685 10.3685 k = 0.1833 0.1833-0.0000 ( 10428 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7242 -40.7242 -40.7193 -40.7193 -6.1955 -6.1955 -4.7619 -4.7619 0.9349 0.9349 1.7223 1.7223 1.8113 1.8113 3.9884 3.9884 4.2382 4.2382 4.9785 4.9785 8.6187 8.6187 9.4214 9.4214 9.4879 9.4879 10.2288 10.2288 k = 0.1750 0.1750-0.0000 ( 10412 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7243 -40.7243 -40.7192 -40.7192 -6.2356 -6.2356 -4.7745 -4.7745 0.9033 0.9033 1.7751 1.7751 1.8732 1.8732 4.0997 4.0997 4.3325 4.3325 5.0201 5.0201 8.6653 8.6653 9.3036 9.3036 9.5303 9.5303 10.0967 10.0967 k = 0.1667 0.1667-0.0000 ( 10404 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7244 -40.7244 -40.7192 -40.7192 -6.2741 -6.2741 -4.7869 -4.7869 0.8727 0.8727 1.8292 1.8292 1.9363 1.9363 4.2100 4.2100 4.4284 4.4284 5.0603 5.0603 8.7064 8.7064 9.1242 9.1242 9.6259 9.6259 9.9739 9.9739 k = 0.1583 0.1583-0.0000 ( 10398 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7245 -40.7245 -40.7191 -40.7191 -6.3109 -6.3109 -4.7991 -4.7991 0.8431 0.8431 1.8849 1.8849 2.0003 2.0003 4.3187 4.3187 4.5260 4.5260 5.0989 5.0989 8.7396 8.7396 8.9501 8.9501 9.7028 9.7028 9.8630 9.8630 k = 0.1500 0.1500-0.0000 ( 10414 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7246 -40.7246 -40.7191 -40.7191 -6.3461 -6.3461 -4.8109 -4.8109 0.8147 0.8147 1.9421 1.9421 2.0644 2.0644 4.4257 4.4257 4.6249 4.6249 5.1359 5.1359 8.7613 8.7613 8.7821 8.7821 9.7549 9.7549 9.7677 9.7677 k = 0.1417 0.1417-0.0000 ( 10410 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7247 -40.7247 -40.7190 -40.7190 -6.3794 -6.3794 -4.8224 -4.8224 0.7876 0.7876 2.0007 2.0007 2.1284 2.1284 4.5306 4.5306 4.7250 4.7250 5.1712 5.1712 8.6191 8.6191 8.7692 8.7692 9.6898 9.6898 9.7806 9.7806 k = 0.1333 0.1333-0.0000 ( 10414 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7248 -40.7248 -40.7190 -40.7190 -6.4110 -6.4110 -4.8336 -4.8336 0.7617 0.7617 2.0605 2.0605 2.1920 2.1920 4.6330 4.6330 4.8258 4.8258 5.2048 5.2048 8.4631 8.4631 8.7587 8.7587 9.6347 9.6347 9.7775 9.7775 k = 0.1250 0.1250-0.0000 ( 10410 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7249 -40.7249 -40.7189 -40.7189 -6.4408 -6.4408 -4.8443 -4.8443 0.7372 0.7372 2.1211 2.1211 2.2548 2.2548 4.7324 4.7324 4.9268 4.9268 5.2369 5.2369 8.3140 8.3140 8.7290 8.7290 9.6028 9.6028 9.7495 9.7495 k = 0.1167 0.1167-0.0000 ( 10406 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7249 -40.7249 -40.7189 -40.7189 -6.4688 -6.4688 -4.8545 -4.8545 0.7141 0.7141 2.1821 2.1821 2.3164 2.3164 4.8281 4.8281 5.0277 5.0277 5.2676 5.2676 8.1724 8.1724 8.6821 8.6821 9.5924 9.5924 9.7020 9.7020 k = 0.1083 0.1083-0.0000 ( 10406 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7250 -40.7250 -40.7188 -40.7188 -6.4949 -6.4949 -4.8642 -4.8642 0.6924 0.6924 2.2431 2.2431 2.3766 2.3766 4.9190 4.9190 5.1277 5.1277 5.2978 5.2978 8.0386 8.0386 8.6220 8.6220 9.5991 9.5991 9.6401 9.6401 k = 0.1000 0.1000-0.0000 ( 10396 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7251 -40.7251 -40.7188 -40.7188 -6.5191 -6.5191 -4.8733 -4.8733 0.6723 0.6723 2.3037 2.3037 2.4351 2.4351 5.0034 5.0034 5.2262 5.2262 5.3286 5.3286 7.9132 7.9132 8.5538 8.5538 9.5685 9.5685 9.6184 9.6184 k = 0.0917 0.0917-0.0000 ( 10393 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.5415 -6.5415 -4.8819 -4.8819 0.6536 0.6536 2.3631 2.3631 2.4914 2.4914 5.0786 5.0786 5.3217 5.3217 5.3630 5.3630 7.7968 7.7968 8.4816 8.4816 9.4913 9.4913 9.6455 9.6455 k = 0.0833 0.0833-0.0000 ( 10407 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7252 -40.7252 -40.7187 -40.7187 -6.5620 -6.5620 -4.8898 -4.8898 0.6365 0.6365 2.4207 2.4207 2.5453 2.5453 5.1413 5.1413 5.3961 5.3961 5.4209 5.4209 7.6897 7.6897 8.4088 8.4088 9.4113 9.4113 9.6772 9.6772 k = 0.0750 0.0750-0.0000 ( 10417 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.5805 -6.5805 -4.8971 -4.8971 0.6209 0.6209 2.4759 2.4759 2.5964 2.5964 5.1886 5.1886 5.4448 5.4448 5.5087 5.5087 7.5925 7.5925 8.3381 8.3381 9.3310 9.3310 9.5745 9.5745 k = 0.0667 0.0667-0.0000 ( 10413 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.5972 -6.5972 -4.9037 -4.9037 0.6070 0.6070 2.5278 2.5278 2.6444 2.6444 5.2207 5.2207 5.4984 5.4984 5.5937 5.5937 7.5055 7.5055 8.2711 8.2711 9.2526 9.2526 9.4685 9.4685 k = 0.0583 0.0583-0.0000 ( 10427 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.6119 -6.6119 -4.9095 -4.9095 0.5946 0.5946 2.5757 2.5757 2.6888 2.6888 5.2404 5.2404 5.5554 5.5554 5.6733 5.6733 7.4289 7.4289 8.2094 8.2094 9.1779 9.1779 9.3703 9.3703 k = 0.0500 0.0500-0.0000 ( 10419 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.6246 -6.6246 -4.9147 -4.9147 0.5839 0.5839 2.6187 2.6187 2.7291 2.7291 5.2514 5.2514 5.6117 5.6117 5.7462 5.7462 7.3630 7.3630 8.1541 8.1541 9.1087 9.1087 9.2813 9.2813 k = 0.0417 0.0417-0.0000 ( 10421 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6355 -6.6355 -4.9191 -4.9191 0.5748 0.5748 2.6562 2.6562 2.7649 2.7649 5.2565 5.2565 5.6641 5.6641 5.8110 5.8110 7.3075 7.3075 8.1059 8.1059 9.0467 9.0467 9.2028 9.2028 k = 0.0333 0.0333-0.0000 ( 10429 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6443 -6.6443 -4.9227 -4.9227 0.5673 0.5673 2.6876 2.6876 2.7955 2.7955 5.2579 5.2579 5.7102 5.7102 5.8665 5.8665 7.2626 7.2626 8.0655 8.0655 8.9933 8.9933 9.1361 9.1361 k = 0.0250 0.0250-0.0000 ( 10435 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6512 -6.6512 -4.9255 -4.9255 0.5615 0.5615 2.7124 2.7124 2.8202 2.8202 5.2573 5.2573 5.7479 5.7479 5.9113 5.9113 7.2280 7.2280 8.0335 8.0335 8.9500 8.9500 9.0825 9.0825 k = 0.0167 0.0167-0.0000 ( 10447 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6562 -6.6562 -4.9275 -4.9275 0.5573 0.5573 2.7303 2.7303 2.8384 2.8384 5.2560 5.2560 5.7759 5.7759 5.9443 5.9443 7.2035 7.2035 8.0103 8.0103 8.9181 8.9181 9.0433 9.0433 k = 0.0083 0.0083-0.0000 ( 10445 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6591 -6.6591 -4.9287 -4.9287 0.5549 0.5549 2.7411 2.7411 2.8496 2.8496 5.2548 5.2548 5.7932 5.7932 5.9645 5.9645 7.1889 7.1889 7.9963 7.9963 8.8985 8.8985 9.0193 9.0193 k = 0.0000 0.0000 0.0000 ( 10449 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6601 -6.6601 -4.9291 -4.9291 0.5541 0.5541 2.7447 2.7447 2.8534 2.8534 5.2544 5.2544 5.7990 5.7990 5.9713 5.9713 7.1840 7.1840 7.9915 7.9915 8.8919 8.8919 9.0113 9.0113 k = 0.0000 0.0000 0.0000 ( 10449 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6601 -6.6601 -4.9291 -4.9291 0.5541 0.5541 2.7447 2.7447 2.8534 2.8534 5.2544 5.2544 5.7990 5.7990 5.9713 5.9713 7.1840 7.1840 7.9915 7.9915 8.8919 8.8919 9.0113 9.0113 k = 0.0000 0.0000 0.0116 ( 10446 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6597 -6.6597 -4.9302 -4.9302 0.5575 0.5575 2.7452 2.7452 2.8538 2.8538 5.2482 5.2482 5.7964 5.7964 5.9690 5.9690 7.1808 7.1808 7.9922 7.9922 8.9003 8.9003 9.0102 9.0102 k = 0.0000 0.0000 0.0232 ( 10446 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6584 -6.6584 -4.9335 -4.9335 0.5679 0.5679 2.7466 2.7466 2.8553 2.8553 5.2296 5.2296 5.7888 5.7888 5.9622 5.9622 7.1715 7.1715 7.9940 7.9940 8.9249 8.9249 9.0068 9.0068 k = 0.0000 0.0000 0.0348 ( 10430 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6564 -6.6564 -4.9390 -4.9390 0.5851 0.5851 2.7489 2.7489 2.8576 2.8576 5.1989 5.1989 5.7763 5.7763 5.9509 5.9509 7.1570 7.1570 7.9971 7.9971 8.9646 8.9646 9.0013 9.0013 k = 0.0000 0.0000 0.0464 ( 10430 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7256 -40.7256 -40.7186 -40.7186 -6.6535 -6.6535 -4.9466 -4.9466 0.6091 0.6091 2.7522 2.7522 2.8608 2.8608 5.1563 5.1563 5.7594 5.7594 5.9354 5.9354 7.1384 7.1384 8.0013 8.0013 8.9936 8.9936 9.0178 9.0178 k = 0.0000 0.0000 0.0580 ( 10418 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6499 -6.6499 -4.9561 -4.9561 0.6397 0.6397 2.7563 2.7563 2.8649 2.8649 5.1021 5.1021 5.7385 5.7385 5.9160 5.9160 7.1172 7.1172 8.0067 8.0067 8.9838 8.9838 9.0824 9.0824 k = 0.0000 0.0000 0.0696 ( 10418 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6456 -6.6456 -4.9675 -4.9675 0.6769 0.6769 2.7613 2.7613 2.8698 2.8698 5.0371 5.0371 5.7142 5.7142 5.8932 5.8932 7.0946 7.0946 8.0131 8.0131 8.9721 8.9721 9.1564 9.1564 k = 0.0000 0.0000 0.0812 ( 10426 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6405 -6.6405 -4.9805 -4.9805 0.7205 0.7205 2.7670 2.7670 2.8755 2.8755 4.9618 4.9618 5.6870 5.6870 5.8674 5.8674 7.0715 7.0715 8.0206 8.0206 8.9585 8.9585 9.2379 9.2379 k = 0.0000 0.0000 0.0927 ( 10430 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6348 -6.6348 -4.9950 -4.9950 0.7702 0.7702 2.7734 2.7734 2.8819 2.8819 4.8772 4.8772 5.6574 5.6574 5.8391 5.8391 7.0489 7.0489 8.0292 8.0292 8.9432 8.9432 9.3249 9.3249 k = 0.0000 0.0000 0.1043 ( 10422 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6285 -6.6285 -5.0107 -5.0107 0.8258 0.8258 2.7805 2.7805 2.8889 2.8889 4.7843 4.7843 5.6261 5.6261 5.8086 5.8086 7.0272 7.0272 8.0388 8.0388 8.9263 8.9263 9.4159 9.4159 k = 0.0000 0.0000 0.1159 ( 10430 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6217 -6.6217 -5.0276 -5.0276 0.8871 0.8871 2.7881 2.7881 2.8965 2.8965 4.6839 4.6839 5.5935 5.5935 5.7767 5.7767 7.0068 7.0068 8.0495 8.0495 8.9080 8.9080 9.5090 9.5090 k = 0.0000 0.0000 0.1275 ( 10422 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6145 -6.6145 -5.0452 -5.0452 0.9539 0.9539 2.7962 2.7962 2.9045 2.9045 4.5771 4.5771 5.5601 5.5601 5.7437 5.7437 6.9879 6.9879 8.0612 8.0612 8.8884 8.8884 9.6031 9.6031 k = 0.0000 0.0000 0.1391 ( 10422 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.6069 -6.6069 -5.0634 -5.0634 1.0258 1.0258 2.8046 2.8046 2.9129 2.9129 4.4649 4.4649 5.5264 5.5264 5.7102 5.7102 6.9705 6.9705 8.0736 8.0736 8.8678 8.8678 9.6967 9.6967 k = 0.0000 0.0000 0.1507 ( 10394 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5990 -6.5990 -5.0819 -5.0819 1.1026 1.1026 2.8133 2.8133 2.9215 2.9215 4.3483 4.3483 5.4928 5.4928 5.6766 5.6766 6.9546 6.9546 8.0871 8.0871 8.8463 8.8463 9.7886 9.7886 k = 0.0000 0.0000 0.1623 ( 10430 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5911 -6.5911 -5.1005 -5.1005 1.1839 1.1839 2.8222 2.8222 2.9303 2.9303 4.2282 4.2282 5.4598 5.4598 5.6435 5.6435 6.9403 6.9403 8.1009 8.1009 8.8242 8.8242 9.8776 9.8776 k = 0.0000 0.0000 0.1739 ( 10426 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5830 -6.5830 -5.1188 -5.1188 1.2692 1.2692 2.8310 2.8310 2.9390 2.9390 4.1056 4.1056 5.4277 5.4277 5.6112 5.6112 6.9274 6.9274 8.1155 8.1155 8.8016 8.8016 9.9625 9.9625 k = 0.0000 0.0000 0.1855 ( 10434 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5751 -6.5751 -5.1367 -5.1367 1.3583 1.3583 2.8397 2.8397 2.9476 2.9476 3.9812 3.9812 5.3970 5.3970 5.5801 5.5801 6.9159 6.9159 8.1305 8.1305 8.7788 8.7788 10.0424 10.0424 k = 0.0000 0.0000 0.1971 ( 10434 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5673 -6.5673 -5.1538 -5.1538 1.4505 1.4505 2.8481 2.8481 2.9559 2.9559 3.8561 3.8561 5.3680 5.3680 5.5508 5.5508 6.9056 6.9056 8.1460 8.1460 8.7561 8.7561 10.1163 10.1163 k = 0.0000 0.0000 0.2087 ( 10434 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5599 -6.5599 -5.1700 -5.1700 1.5452 1.5452 2.8562 2.8562 2.9638 2.9638 3.7311 3.7311 5.3411 5.3411 5.5235 5.5235 6.8967 6.8967 8.1614 8.1614 8.7339 8.7339 10.1833 10.1833 k = 0.0000 0.0000 0.2203 ( 10442 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5530 -6.5530 -5.1849 -5.1849 1.6417 1.6417 2.8637 2.8637 2.9712 2.9712 3.6074 3.6074 5.3165 5.3165 5.4985 5.4985 6.8888 6.8888 8.1766 8.1766 8.7123 8.7123 10.2429 10.2429 k = 0.0000 0.0000 0.2319 ( 10470 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5467 -6.5467 -5.1984 -5.1984 1.7387 1.7387 2.8706 2.8706 2.9779 2.9779 3.4862 3.4862 5.2946 5.2946 5.4763 5.4763 6.8822 6.8822 8.1914 8.1914 8.6920 8.6920 10.2946 10.2946 k = 0.0000 0.0000 0.2435 ( 10490 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5411 -6.5411 -5.2102 -5.2102 1.8346 1.8346 2.8768 2.8768 2.9838 2.9838 3.3694 3.3694 5.2755 5.2755 5.4570 5.4570 6.8766 6.8766 8.2053 8.2053 8.6732 8.6732 10.3382 10.3382 k = 0.0000 0.0000 0.2550 ( 10482 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5363 -6.5363 -5.2201 -5.2201 1.9272 1.9272 2.8822 2.8822 2.9888 2.9888 3.2595 3.2595 5.2597 5.2597 5.4408 5.4408 6.8720 6.8720 8.2179 8.2179 8.6566 8.6566 10.3737 10.3737 k = 0.0000 0.0000 0.2666 ( 10486 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5325 -6.5325 -5.2280 -5.2280 2.0123 2.0123 2.8868 2.8868 2.9928 2.9928 3.1604 3.1604 5.2471 5.2471 5.4281 5.4281 6.8685 6.8685 8.2286 8.2286 8.6428 8.6428 10.4010 10.4010 k = 0.0000 0.0000 0.2782 ( 10486 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5297 -6.5297 -5.2337 -5.2337 2.0841 2.0841 2.8907 2.8907 2.9957 2.9957 3.0780 3.0780 5.2380 5.2380 5.4189 5.4189 6.8660 6.8660 8.2367 8.2367 8.6323 8.6323 10.4204 10.4204 k = 0.0000 0.0000 0.2898 ( 10466 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5280 -6.5280 -5.2372 -5.2372 2.1337 2.1337 2.8940 2.8940 2.9975 2.9975 3.0212 3.0212 5.2326 5.2326 5.4133 5.4133 6.8645 6.8645 8.2421 8.2421 8.6258 8.6258 10.4320 10.4320 k = 0.0000 0.0000 0.3014 ( 10478 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5275 -6.5275 -5.2384 -5.2384 2.1517 2.1517 2.8955 2.8955 2.9981 2.9981 3.0003 3.0003 5.2307 5.2307 5.4114 5.4114 6.8640 6.8640 8.2438 8.2438 8.6235 8.6235 10.4358 10.4358 k = 0.0000 0.0000 0.3014 ( 10478 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5275 -6.5275 -5.2384 -5.2384 2.1517 2.1517 2.8955 2.8955 2.9981 2.9981 3.0003 3.0003 5.2307 5.2307 5.4114 5.4114 6.8640 6.8640 8.2438 8.2438 8.6235 8.6235 10.4358 10.4358 k = 0.0000 0.0119 0.3014 ( 10458 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5264 -6.5264 -5.2378 -5.2378 2.1511 2.1511 2.8761 2.8761 2.9677 2.9677 3.0444 3.0444 5.2265 5.2265 5.4072 5.4072 6.8711 6.8711 8.2487 8.2487 8.6322 8.6322 10.4380 10.4380 k = 0.0000 0.0238 0.3014 ( 10458 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5235 -6.5235 -5.2361 -5.2361 2.1491 2.1491 2.8227 2.8227 2.9588 2.9588 3.0900 3.0900 5.2128 5.2128 5.3962 5.3962 6.8917 6.8917 8.2635 8.2635 8.6577 8.6577 10.4444 10.4444 k = 0.0000 0.0357 0.3014 ( 10458 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5186 -6.5186 -5.2333 -5.2333 2.1456 2.1456 2.7512 2.7512 2.9609 2.9609 3.1323 3.1323 5.1862 5.1862 5.3829 5.3829 6.9250 6.9250 8.2887 8.2887 8.6982 8.6982 10.4554 10.4554 k = 0.0000 0.0476 0.3014 ( 10450 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5117 -6.5117 -5.2294 -5.2294 2.1404 2.1404 2.6691 2.6691 2.9679 2.9679 3.1709 3.1709 5.1439 5.1439 5.3721 5.3721 6.9690 6.9690 8.3249 8.3249 8.7513 8.7513 10.4708 10.4708 k = 0.0000 0.0595 0.3014 ( 10446 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.5029 -6.5029 -5.2244 -5.2244 2.1334 2.1334 2.5791 2.5791 2.9783 2.9783 3.2062 3.2062 5.0859 5.0859 5.3660 5.3660 7.0217 7.0217 8.3732 8.3732 8.8139 8.8139 10.4909 10.4909 k = 0.0000 0.0714 0.3014 ( 10446 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.4922 -6.4922 -5.2184 -5.2184 2.1242 2.1242 2.4825 2.4825 2.9914 2.9914 3.2388 3.2388 5.0148 5.0148 5.3645 5.3645 7.0805 7.0805 8.4344 8.4344 8.8822 8.8822 10.5154 10.5154 k = 0.0000 0.0833 0.3014 ( 10442 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.4796 -6.4796 -5.2113 -5.2113 2.1122 2.1122 2.3808 2.3808 3.0072 3.0072 3.2692 3.2692 4.9341 4.9341 5.3665 5.3665 7.1429 7.1429 8.5098 8.5098 8.9529 8.9529 10.5439 10.5439 k = 0.0000 0.0952 0.3014 ( 10460 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.4651 -6.4651 -5.2033 -5.2033 2.0962 2.0962 2.2757 2.2757 3.0255 3.0255 3.2983 3.2983 4.8468 4.8468 5.3711 5.3711 7.2065 7.2065 8.5999 8.5999 9.0223 9.0223 10.5751 10.5751 k = 0.0000 0.1071 0.3014 ( 10458 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7188 -40.7188 -6.4487 -6.4487 -5.1945 -5.1945 2.0720 2.0720 2.1721 2.1721 3.0463 3.0463 3.3263 3.3263 4.7559 4.7559 5.3776 5.3776 7.2693 7.2693 8.7054 8.7054 9.0873 9.0873 10.6059 10.6059 k = 0.0000 0.1190 0.3014 ( 10464 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.4304 -6.4304 -5.1848 -5.1848 2.0163 2.0163 2.0936 2.0936 3.0695 3.0695 3.3538 3.3538 4.6636 4.6636 5.3855 5.3855 7.3300 7.3300 8.8262 8.8262 9.1454 9.1454 10.6154 10.6154 k = 0.0000 0.1310 0.3014 ( 10464 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.4103 -6.4103 -5.1743 -5.1743 1.9151 1.9151 2.0549 2.0549 3.0951 3.0951 3.3810 3.3810 4.5719 4.5719 5.3944 5.3944 7.3877 7.3877 8.9620 8.9620 9.1947 9.1947 10.5093 10.5093 k = 0.0000 0.1429 0.3014 ( 10456 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7251 -40.7251 -40.7189 -40.7189 -6.3884 -6.3884 -5.1632 -5.1632 1.8013 1.8013 2.0231 2.0231 3.1231 3.1231 3.4083 3.4083 4.4825 4.4825 5.4041 5.4041 7.4422 7.4422 9.1118 9.1118 9.2340 9.2340 10.3816 10.3816 k = 0.0000 0.1548 0.3014 ( 10464 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7250 -40.7250 -40.7189 -40.7189 -6.3647 -6.3647 -5.1515 -5.1515 1.6846 1.6846 1.9889 1.9889 3.1535 3.1535 3.4358 3.4358 4.3970 4.3970 5.4144 5.4144 7.4934 7.4934 9.2620 9.2620 9.2745 9.2745 10.2546 10.2546 k = 0.0000 0.1667 0.3014 ( 10460 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7249 -40.7249 -40.7190 -40.7190 -6.3393 -6.3393 -5.1394 -5.1394 1.5674 1.5674 1.9503 1.9503 3.1862 3.1862 3.4637 3.4637 4.3166 4.3166 5.4249 5.4249 7.5417 7.5417 9.2806 9.2806 9.4458 9.4458 10.1313 10.1313 k = 0.0000 0.1786 0.3014 ( 10456 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7248 -40.7248 -40.7190 -40.7190 -6.3122 -6.3122 -5.1270 -5.1270 1.4505 1.4505 1.9067 1.9067 3.2211 3.2211 3.4920 3.4920 4.2423 4.2423 5.4354 5.4354 7.5875 7.5875 9.2883 9.2883 9.6198 9.6198 10.0186 10.0186 k = 0.0000 0.1905 0.3014 ( 10436 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7247 -40.7247 -40.7190 -40.7190 -6.2834 -6.2834 -5.1143 -5.1143 1.3349 1.3349 1.8574 1.8574 3.2583 3.2583 3.5208 3.5208 4.1749 4.1749 5.4458 5.4458 7.6314 7.6314 9.2861 9.2861 9.7470 9.7470 9.9647 9.9647 k = 0.0000 0.2024 0.3014 ( 10436 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7247 -40.7247 -40.7191 -40.7191 -6.2530 -6.2530 -5.1015 -5.1015 1.2209 1.2209 1.8026 1.8026 3.2977 3.2977 3.5502 3.5502 4.1150 4.1150 5.4556 5.4556 7.6737 7.6737 9.2746 9.2746 9.7046 9.7046 10.0916 10.0916 k = 0.0000 0.2143 0.3014 ( 10436 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7246 -40.7246 -40.7192 -40.7192 -6.2211 -6.2211 -5.0889 -5.0889 1.1094 1.1094 1.7420 1.7420 3.3392 3.3392 3.5800 3.5800 4.0630 4.0630 5.4647 5.4647 7.7150 7.7150 9.2544 9.2544 9.6000 9.6000 10.2911 10.2911 k = 0.0000 0.2262 0.3014 ( 10440 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7245 -40.7245 -40.7192 -40.7192 -6.1877 -6.1877 -5.0764 -5.0764 1.0006 1.0006 1.6761 1.6761 3.3828 3.3828 3.6102 3.6102 4.0190 4.0190 5.4728 5.4728 7.7554 7.7554 9.2262 9.2262 9.4882 9.4882 10.4505 10.4505 k = 0.0000 0.2381 0.3014 ( 10446 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7244 -40.7244 -40.7193 -40.7193 -6.1528 -6.1528 -5.0644 -5.0644 0.8950 0.8950 1.6052 1.6052 3.4283 3.4283 3.6408 3.6408 3.9829 3.9829 5.4795 5.4795 7.7953 7.7953 9.1906 9.1906 9.3766 9.3766 10.3863 10.3863 k = 0.0000 0.2500 0.3014 ( 10434 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7242 -40.7242 -40.7193 -40.7193 -6.1166 -6.1166 -5.0529 -5.0529 0.7931 0.7931 1.5298 1.5298 3.4758 3.4758 3.6717 3.6717 3.9545 3.9545 5.4846 5.4846 7.8350 7.8350 9.1482 9.1482 9.2672 9.2672 10.3177 10.3177 k = 0.0000 0.2619 0.3014 ( 10442 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7241 -40.7241 -40.7194 -40.7194 -6.0791 -6.0791 -5.0422 -5.0422 0.6953 0.6953 1.4504 1.4504 3.5250 3.5250 3.7026 3.7026 3.9334 3.9334 5.4877 5.4877 7.8746 7.8746 9.0996 9.0996 9.1611 9.1611 10.2336 10.2336 k = 0.0000 0.2738 0.3014 ( 10434 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7240 -40.7240 -40.7195 -40.7195 -6.0404 -6.0404 -5.0324 -5.0324 0.6019 0.6019 1.3680 1.3680 3.5758 3.5758 3.7334 3.7334 3.9194 3.9194 5.4885 5.4885 7.9141 7.9141 9.0441 9.0441 9.0604 9.0604 10.1442 10.1442 k = 0.0000 0.2857 0.3014 ( 10446 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7239 -40.7239 -40.7196 -40.7196 -6.0005 -6.0005 -5.0238 -5.0238 0.5133 0.5133 1.2830 1.2830 3.6278 3.6278 3.7638 3.7638 3.9122 3.9122 5.4866 5.4866 7.9535 7.9535 8.9583 8.9583 8.9897 8.9897 10.0609 10.0609 k = 0.0000 0.2976 0.3014 ( 10442 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7238 -40.7238 -40.7196 -40.7196 -5.9596 -5.9596 -5.0165 -5.0165 0.4298 0.4298 1.1962 1.1962 3.6807 3.6807 3.7935 3.7935 3.9117 3.9117 5.4817 5.4817 7.9929 7.9929 8.8653 8.8653 8.9275 8.9275 9.9841 9.9841 k = 0.0000 0.3095 0.3014 ( 10434 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7236 -40.7236 -40.7197 -40.7197 -5.9178 -5.9178 -5.0108 -5.0108 0.3517 0.3517 1.1085 1.1085 3.7337 3.7337 3.8219 3.8219 3.9184 3.9184 5.4735 5.4735 8.0318 8.0318 8.7773 8.7773 8.8629 8.8629 9.9145 9.9145 k = 0.0000 0.3214 0.3014 ( 10418 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7235 -40.7235 -40.7198 -40.7198 -5.8752 -5.8752 -5.0068 -5.0068 0.2794 0.2794 1.0203 1.0203 3.7852 3.7852 3.8485 3.8485 3.9334 3.9334 5.4618 5.4618 8.0697 8.0697 8.6956 8.6956 8.7965 8.7965 9.8525 9.8525 k = 0.0000 0.3333 0.3014 ( 10414 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7234 -40.7234 -40.7199 -40.7199 -5.8319 -5.8319 -5.0048 -5.0048 0.2131 0.2131 0.9324 0.9324 3.8323 3.8323 3.8737 3.8737 3.9583 3.9583 5.4463 5.4463 8.1057 8.1057 8.6216 8.6216 8.7289 8.7289 9.7982 9.7982 k = 0.0000 0.3452 0.3014 ( 10410 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7232 -40.7232 -40.7200 -40.7200 -5.7880 -5.7880 -5.0049 -5.0049 0.1530 0.1530 0.8453 0.8453 3.8701 3.8701 3.9001 3.9001 3.9945 3.9945 5.4267 5.4267 8.1378 8.1378 8.5577 8.5577 8.6609 8.6609 9.7508 9.7508 k = 0.0000 0.3571 0.3014 ( 10406 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7231 -40.7231 -40.7201 -40.7201 -5.7437 -5.7437 -5.0073 -5.0073 0.0995 0.0995 0.7597 0.7597 3.8967 3.8967 3.9293 3.9293 4.0415 4.0415 5.4030 5.4030 8.1625 8.1625 8.5075 8.5075 8.5934 8.5934 9.6852 9.6852 k = 0.0000 0.3690 0.3014 ( 10398 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7230 -40.7230 -40.7202 -40.7202 -5.6991 -5.6991 -5.0121 -5.0121 0.0527 0.0527 0.6759 0.6759 3.9179 3.9179 3.9575 3.9575 4.0964 4.0964 5.3751 5.3751 8.1749 8.1749 8.4765 8.4765 8.5270 8.5270 9.6174 9.6174 k = 0.0000 0.3810 0.3014 ( 10390 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7228 -40.7228 -40.7203 -40.7203 -5.6544 -5.6544 -5.0195 -5.0195 0.0127 0.0127 0.5946 0.5946 3.9374 3.9374 3.9829 3.9829 4.1564 4.1564 5.3429 5.3429 8.1708 8.1708 8.4623 8.4623 8.4693 8.4693 9.5501 9.5501 k = 0.0000 0.3929 0.3014 ( 10402 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7227 -40.7227 -40.7204 -40.7204 -5.6097 -5.6097 -5.0296 -5.0296 -0.0203 -0.0203 0.5161 0.5161 3.9563 3.9563 4.0054 4.0054 4.2195 4.2195 5.3064 5.3064 8.1522 8.1522 8.4003 8.4003 8.4834 8.4834 9.4835 9.4835 k = 0.0000 0.4048 0.3014 ( 10408 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7226 -40.7226 -40.7205 -40.7205 -5.5653 -5.5653 -5.0424 -5.0424 -0.0461 -0.0461 0.4409 0.4409 3.9749 3.9749 4.0252 4.0252 4.2847 4.2847 5.2659 5.2659 8.1262 8.1262 8.3413 8.3413 8.5129 8.5129 9.4175 9.4175 k = 0.0000 0.4167 0.3014 ( 10402 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7224 -40.7224 -40.7206 -40.7206 -5.5213 -5.5213 -5.0579 -5.0579 -0.0648 -0.0648 0.3694 0.3694 3.9929 3.9929 4.0422 4.0422 4.3513 4.3513 5.2214 5.2214 8.0987 8.0987 8.2859 8.2859 8.5516 8.5516 9.3522 9.3522 k = 0.0000 0.4286 0.3014 ( 10394 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7223 -40.7223 -40.7207 -40.7207 -5.4779 -5.4779 -5.0763 -5.0763 -0.0763 -0.0763 0.3019 0.3019 4.0100 4.0100 4.0564 4.0564 4.4187 4.4187 5.1732 5.1732 8.0736 8.0736 8.2348 8.2348 8.5961 8.5961 9.2876 9.2876 k = 0.0000 0.4405 0.3014 ( 10392 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7222 -40.7222 -40.7209 -40.7209 -5.4352 -5.4352 -5.0974 -5.0974 -0.0806 -0.0806 0.2389 0.2389 4.0261 4.0261 4.0677 4.0677 4.4867 4.4867 5.1215 5.1215 8.0527 8.0527 8.1883 8.1883 8.6444 8.6444 9.2237 9.2237 k = 0.0000 0.4524 0.3014 ( 10400 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7220 -40.7220 -40.7210 -40.7210 -5.3936 -5.3936 -5.1212 -5.1212 -0.0778 -0.0778 0.1806 0.1806 4.0408 4.0408 4.0760 4.0760 4.5548 4.5548 5.0667 5.0667 8.0374 8.0374 8.1469 8.1469 8.6955 8.6955 9.1607 9.1607 k = 0.0000 0.4643 0.3014 ( 10396 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7219 -40.7219 -40.7211 -40.7211 -5.3532 -5.3532 -5.1476 -5.1476 -0.0681 -0.0681 0.1274 0.1274 4.0538 4.0538 4.0813 4.0813 4.6227 4.6227 5.0090 5.0090 8.0282 8.0282 8.1111 8.1111 8.7487 8.7487 9.0986 9.0986 k = 0.0000 0.4762 0.3014 ( 10394 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7218 -40.7218 -40.7212 -40.7212 -5.3142 -5.3142 -5.1766 -5.1766 -0.0514 -0.0514 0.0797 0.0797 4.0647 4.0647 4.0837 4.0837 4.6902 4.6902 4.9489 4.9489 8.0255 8.0255 8.0811 8.0811 8.8037 8.8037 9.0374 9.0374 k = 0.0000 0.4881 0.3014 ( 10396 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7216 -40.7216 -40.7214 -40.7214 -5.2769 -5.2769 -5.2079 -5.2079 -0.0281 -0.0281 0.0377 0.0377 4.0734 4.0734 4.0830 4.0830 4.7569 4.7569 4.8866 4.8866 8.0295 8.0295 8.0574 8.0574 8.8602 8.8602 8.9772 8.9772 k = 0.0000 0.5000 0.3014 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2414 -5.2414 -5.2414 -5.2414 0.0016 0.0016 0.0016 0.0016 4.0796 4.0796 4.0796 4.0796 4.8224 4.8224 4.8224 4.8224 8.0401 8.0401 8.0401 8.0401 8.9181 8.9181 8.9181 8.9181 k = 0.0000 0.5000 0.3014 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2414 -5.2414 -5.2414 -5.2414 0.0016 0.0016 0.0016 0.0016 4.0796 4.0796 4.0796 4.0796 4.8224 4.8224 4.8224 4.8224 8.0401 8.0401 8.0401 8.0401 8.9181 8.9181 8.9181 8.9181 k = 0.0119 0.5000 0.3014 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2406 -5.2406 -5.2405 -5.2405 0.0026 0.0026 0.0026 0.0026 4.0733 4.0733 4.0822 4.0822 4.8084 4.8084 4.8184 4.8184 8.0395 8.0395 8.0396 8.0396 8.9293 8.9293 8.9297 8.9297 k = 0.0238 0.5000 0.3014 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2381 -5.2381 -5.2379 -5.2379 0.0057 0.0057 0.0057 0.0057 4.0631 4.0631 4.0813 4.0813 4.7766 4.7766 4.7971 4.7971 8.0375 8.0375 8.0376 8.0376 8.9632 8.9632 8.9640 8.9640 k = 0.0357 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2340 -5.2340 -5.2337 -5.2337 0.0107 0.0107 0.0107 0.0107 4.0483 4.0483 4.0766 4.0766 4.7282 4.7282 4.7600 4.7600 8.0334 8.0334 8.0336 8.0336 9.0194 9.0194 9.0206 9.0206 k = 0.0476 0.5000 0.3014 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2282 -5.2282 -5.2278 -5.2278 0.0177 0.0177 0.0178 0.0178 4.0281 4.0281 4.0679 4.0679 4.6655 4.6655 4.7097 4.7097 8.0263 8.0263 8.0266 8.0266 9.0970 9.0970 9.0987 9.0987 k = 0.0595 0.5000 0.3014 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2208 -5.2208 -5.2203 -5.2203 0.0268 0.0268 0.0269 0.0269 4.0013 4.0013 4.0542 4.0542 4.5911 4.5911 4.6494 4.6494 8.0157 8.0157 8.0160 8.0160 9.1946 9.1946 9.1968 9.1968 k = 0.0714 0.5000 0.3014 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2118 -5.2118 -5.2112 -5.2112 0.0378 0.0378 0.0379 0.0379 3.9663 3.9663 4.0341 4.0341 4.5087 4.5087 4.5827 4.5827 8.0013 8.0013 8.0016 8.0016 9.3103 9.3103 9.3130 9.3130 k = 0.0833 0.5000 0.3014 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2012 -5.2012 -5.2004 -5.2004 0.0508 0.0508 0.0509 0.0509 3.9212 3.9212 4.0051 4.0051 4.4227 4.4227 4.5135 4.5135 7.9832 7.9832 7.9834 7.9834 9.4412 9.4412 9.4444 9.4444 k = 0.0952 0.5000 0.3014 ( 10416 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1890 -5.1890 -5.1881 -5.1881 0.0657 0.0657 0.0659 0.0659 3.8644 3.8644 3.9634 3.9634 4.3389 4.3389 4.4455 4.4455 7.9617 7.9617 7.9618 7.9618 9.5820 9.5820 9.5856 9.5856 k = 0.1071 0.5000 0.3014 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1752 -5.1752 -5.1743 -5.1743 0.0824 0.0824 0.0828 0.0828 3.7945 3.7945 3.9046 3.9046 4.2633 4.2633 4.3815 4.3815 7.9372 7.9372 7.9374 7.9374 9.7105 9.7105 9.7107 9.7107 k = 0.1190 0.5000 0.3014 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1600 -5.1600 -5.1590 -5.1590 0.1011 0.1011 0.1016 0.1016 3.7117 3.7117 3.8261 3.8261 4.2000 4.2000 4.3229 4.3229 7.9105 7.9105 7.9109 7.9109 9.7487 9.7487 9.7597 9.7597 k = 0.1310 0.5000 0.3014 ( 10420 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1434 -5.1434 -5.1422 -5.1422 0.1216 0.1216 0.1222 0.1222 3.6172 3.6172 3.7297 3.7297 4.1483 4.1483 4.2697 4.2697 7.8822 7.8822 7.8830 7.8830 9.7473 9.7473 9.7621 9.7621 k = 0.1429 0.5000 0.3014 ( 10432 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1253 -5.1253 -5.1241 -5.1241 0.1439 0.1439 0.1447 0.1447 3.5131 3.5131 3.6201 3.6201 4.1046 4.1046 4.2209 4.2209 7.8533 7.8533 7.8544 7.8544 9.7415 9.7415 9.7579 9.7579 k = 0.1548 0.5000 0.3014 ( 10436 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.1059 -5.1059 -5.1046 -5.1046 0.1679 0.1679 0.1689 0.1689 3.4017 3.4017 3.5021 3.5021 4.0651 4.0651 4.1749 4.1749 7.8245 7.8245 7.8259 7.8259 9.7364 9.7364 9.7538 9.7538 k = 0.1667 0.5000 0.3014 ( 10420 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7214 -40.7214 -40.7214 -40.7214 -5.0853 -5.0853 -5.0839 -5.0839 0.1936 0.1936 0.1949 0.1949 3.2853 3.2853 3.3792 3.3792 4.0269 4.0269 4.1303 4.1303 7.7965 7.7965 7.7983 7.7983 9.7333 9.7333 9.7515 9.7515 k = 0.1786 0.5000 0.3014 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0634 -5.0634 -5.0620 -5.0620 0.2208 0.2208 0.2224 0.2224 3.1657 3.1657 3.2537 3.2537 3.9884 3.9884 4.0859 4.0859 7.7702 7.7702 7.7724 7.7724 9.7326 9.7326 9.7515 9.7515 k = 0.1905 0.5000 0.3014 ( 10420 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0404 -5.0404 -5.0389 -5.0389 0.2495 0.2495 0.2515 0.2515 3.0444 3.0444 3.1273 3.1273 3.9486 3.9486 4.0408 4.0408 7.7461 7.7461 7.7487 7.7487 9.7344 9.7344 9.7538 9.7538 k = 0.2024 0.5000 0.3014 ( 10416 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -5.0164 -5.0164 -5.0148 -5.0148 0.2796 0.2796 0.2820 0.2820 2.9227 2.9227 3.0014 3.0014 3.9066 3.9066 3.9943 3.9943 7.7251 7.7251 7.7279 7.7279 9.7387 9.7387 9.7586 9.7586 k = 0.2143 0.5000 0.3014 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -4.9914 -4.9914 -4.9898 -4.9898 0.3109 0.3109 0.3139 0.3139 2.8017 2.8017 2.8768 2.8768 3.8622 3.8622 3.9459 3.9459 7.7076 7.7076 7.7106 7.7106 9.7453 9.7453 9.7656 9.7656 k = 0.2262 0.5000 0.3014 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7213 -40.7213 -40.7213 -40.7213 -4.9656 -4.9656 -4.9640 -4.9640 0.3433 0.3433 0.3469 0.3469 2.6822 2.6822 2.7544 2.7544 3.8151 3.8151 3.8952 3.8952 7.6940 7.6940 7.6972 7.6972 9.7541 9.7541 9.7749 9.7749 k = 0.2381 0.5000 0.3014 ( 10416 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.9391 -4.9391 -4.9374 -4.9374 0.3766 0.3766 0.3809 0.3809 2.5651 2.5651 2.6349 2.6349 3.7651 3.7651 3.8420 3.8420 7.6848 7.6848 7.6881 7.6881 9.7649 9.7649 9.7861 9.7861 k = 0.2500 0.5000 0.3014 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.9120 -4.9120 -4.9102 -4.9102 0.4105 0.4105 0.4157 0.4157 2.4510 2.4510 2.5190 2.5190 3.7123 3.7123 3.7863 3.7863 7.6803 7.6803 7.6835 7.6835 9.7774 9.7774 9.7991 9.7991 k = 0.2619 0.5000 0.3014 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.8843 -4.8843 -4.8825 -4.8825 0.4448 0.4448 0.4509 0.4509 2.3408 2.3408 2.4074 2.4074 3.6567 3.6567 3.7281 3.7281 7.6806 7.6806 7.6838 7.6838 9.7915 9.7915 9.8136 9.8136 k = 0.2738 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.8563 -4.8563 -4.8545 -4.8545 0.4791 0.4791 0.4863 0.4863 2.2350 2.2350 2.3006 2.3006 3.5985 3.5985 3.6675 3.6675 7.6860 7.6860 7.6890 7.6890 9.8067 9.8067 9.8294 9.8294 k = 0.2857 0.5000 0.3014 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7212 -40.7212 -40.7212 -40.7212 -4.8282 -4.8282 -4.8263 -4.8263 0.5129 0.5129 0.5214 0.5214 2.1345 2.1345 2.1995 2.1995 3.5378 3.5378 3.6045 3.6045 7.6964 7.6964 7.6992 7.6992 9.8228 9.8228 9.8461 9.8461 k = 0.2976 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7999 -4.7999 -4.7981 -4.7981 0.5458 0.5458 0.5557 0.5557 2.0400 2.0400 2.1047 2.1047 3.4748 3.4748 3.5394 3.5394 7.7118 7.7118 7.7144 7.7144 9.8393 9.8393 9.8632 9.8632 k = 0.3095 0.5000 0.3014 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7718 -4.7718 -4.7700 -4.7700 0.5772 0.5772 0.5885 0.5885 1.9525 1.9525 2.0172 2.0172 3.4099 3.4099 3.4724 3.4724 7.7322 7.7322 7.7344 7.7344 9.8557 9.8557 9.8805 9.8805 k = 0.3214 0.5000 0.3014 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7440 -4.7440 -4.7422 -4.7422 0.6062 0.6062 0.6191 0.6191 1.8730 1.8730 1.9378 1.9378 3.3433 3.3433 3.4039 3.4039 7.7574 7.7574 7.7592 7.7592 9.8714 9.8714 9.8971 9.8971 k = 0.3333 0.5000 0.3014 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.7167 -4.7167 -4.7149 -4.7149 0.6321 0.6321 0.6466 0.6466 1.8025 1.8025 1.8675 1.8675 3.2754 3.2754 3.3341 3.3341 7.7871 7.7871 7.7885 7.7885 9.8856 9.8856 9.9123 9.9123 k = 0.3452 0.5000 0.3014 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7211 -40.7211 -4.6900 -4.6900 -4.6883 -4.6883 0.6539 0.6539 0.6699 0.6699 1.7422 1.7422 1.8074 1.8074 3.2065 3.2065 3.2634 3.2634 7.8211 7.8211 7.8221 7.8221 9.8971 9.8971 9.9249 9.9249 k = 0.3571 0.5000 0.3014 ( 10404 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6642 -4.6642 -4.6626 -4.6626 0.6708 0.6708 0.6879 0.6879 1.6931 1.6931 1.7582 1.7582 3.1372 3.1372 3.1922 3.1922 7.8591 7.8591 7.8596 7.8596 9.9045 9.9045 9.9336 9.9336 k = 0.3690 0.5000 0.3014 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6394 -4.6394 -4.6379 -4.6379 0.6822 0.6822 0.7000 0.7000 1.6563 1.6563 1.7208 1.7208 3.0678 3.0678 3.1209 3.1209 7.9006 7.9006 7.9007 7.9007 9.9058 9.9058 9.9361 9.9361 k = 0.3810 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.6160 -4.6160 -4.6145 -4.6145 0.6878 0.6878 0.7056 0.7056 1.6321 1.6321 1.6952 1.6952 2.9990 2.9990 3.0500 3.0500 7.9448 7.9448 7.9452 7.9452 9.8987 9.8987 9.9299 9.9299 k = 0.3929 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5939 -4.5939 -4.5926 -4.5926 0.6877 0.6877 0.7049 0.7049 1.6203 1.6203 1.6812 1.6812 2.9312 2.9312 2.9801 2.9801 7.9913 7.9913 7.9922 7.9922 9.8807 9.8807 9.9119 9.9119 k = 0.4048 0.5000 0.3014 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5736 -4.5736 -4.5723 -4.5723 0.6828 0.6828 0.6987 0.6987 1.6198 1.6198 1.6776 1.6776 2.8652 2.8652 2.9117 2.9117 8.0396 8.0396 8.0409 8.0409 9.8503 9.8503 9.8803 9.8803 k = 0.4167 0.5000 0.3014 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5551 -4.5551 -4.5540 -4.5540 0.6741 0.6741 0.6883 0.6883 1.6290 1.6290 1.6829 1.6829 2.8020 2.8020 2.8457 2.8457 8.0886 8.0886 8.0902 8.0902 9.8082 9.8082 9.8355 9.8355 k = 0.4286 0.5000 0.3014 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7210 -40.7210 -4.5386 -4.5386 -4.5376 -4.5376 0.6632 0.6632 0.6754 0.6754 1.6457 1.6457 1.6950 1.6950 2.7424 2.7424 2.7829 2.7829 8.1372 8.1372 8.1391 8.1391 9.7576 9.7576 9.7813 9.7813 k = 0.4405 0.5000 0.3014 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5244 -4.5244 -4.5235 -4.5235 0.6514 0.6514 0.6614 0.6614 1.6676 1.6676 1.7113 1.7113 2.6879 2.6879 2.7244 2.7244 8.1841 8.1841 8.1861 8.1861 9.7033 9.7033 9.7230 9.7230 k = 0.4524 0.5000 0.3014 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5125 -4.5125 -4.5118 -4.5118 0.6400 0.6400 0.6479 0.6479 1.6920 1.6920 1.7293 1.7293 2.6400 2.6400 2.6716 2.6716 8.2272 8.2272 8.2292 8.2292 9.6503 9.6503 9.6661 9.6661 k = 0.4643 0.5000 0.3014 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5030 -4.5030 -4.5025 -4.5025 0.6302 0.6302 0.6361 0.6361 1.7165 1.7165 1.7462 1.7462 2.6007 2.6007 2.6262 2.6262 8.2647 8.2647 8.2665 8.2665 9.6036 9.6036 9.6154 9.6154 k = 0.4762 0.5000 0.3014 ( 10360 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4962 -4.4962 -4.4958 -4.4958 0.6229 0.6229 0.6268 0.6268 1.7383 1.7383 1.7591 1.7591 2.5720 2.5720 2.5900 2.5900 8.2940 8.2940 8.2953 8.2953 9.5672 9.5672 9.5751 9.5751 k = 0.4881 0.5000 0.3014 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4920 -4.4920 -4.4919 -4.4919 0.6186 0.6186 0.6205 0.6205 1.7549 1.7549 1.7657 1.7657 2.5558 2.5558 2.5652 2.5652 8.3129 8.3129 8.3136 8.3136 9.5446 9.5446 9.5486 9.5486 k = 0.5000 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4906 -4.4906 -4.4906 -4.4906 0.6177 0.6177 0.6177 0.6177 1.7644 1.7644 1.7644 1.7644 2.5535 2.5535 2.5535 2.5535 8.3197 8.3197 8.3197 8.3197 9.5381 9.5381 9.5381 9.5381 k = 0.5000 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4906 -4.4906 -4.4906 -4.4906 0.6177 0.6177 0.6177 0.6177 1.7644 1.7644 1.7644 1.7644 2.5535 2.5535 2.5535 2.5535 8.3197 8.3197 8.3197 8.3197 9.5381 9.5381 9.5381 9.5381 k = 0.4917 0.4917 0.3014 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4929 -4.4929 -4.4910 -4.4910 0.6184 0.6184 0.6207 0.6207 1.7529 1.7529 1.7680 1.7680 2.5534 2.5534 2.5674 2.5674 8.3068 8.3068 8.3201 8.3201 9.5392 9.5392 9.5536 9.5536 k = 0.4833 0.4833 0.3014 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4997 -4.4997 -4.4921 -4.4921 0.6214 0.6214 0.6282 0.6282 1.7262 1.7262 1.7724 1.7724 2.5581 2.5581 2.6020 2.6020 8.2701 8.2701 8.3211 8.3211 9.5431 9.5431 9.5974 9.5974 k = 0.4750 0.4750 0.3014 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.5111 -4.5111 -4.4941 -4.4941 0.6266 0.6266 0.6405 0.6405 1.6866 1.6866 1.7792 1.7792 2.5663 2.5663 2.6550 2.6550 8.2142 8.2142 8.3230 8.3230 9.5496 9.5496 9.6651 9.6651 k = 0.4667 0.4667 0.3014 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5268 -4.5268 -4.4968 -4.4968 0.6339 0.6339 0.6573 0.6573 1.6382 1.6382 1.7887 1.7887 2.5780 2.5780 2.7220 2.7220 8.1447 8.1447 8.3256 8.3256 9.5587 9.5587 9.7510 9.7510 k = 0.4583 0.4583 0.3014 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5467 -4.5467 -4.5003 -4.5003 0.6432 0.6432 0.6786 0.6786 1.5848 1.5848 1.8009 1.8009 2.5930 2.5930 2.7991 2.7991 8.0662 8.0662 8.3290 8.3290 9.5705 9.5705 9.8504 9.8504 k = 0.4500 0.4500 0.3014 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7210 -40.7210 -40.7209 -40.7209 -4.5707 -4.5707 -4.5046 -4.5046 0.6547 0.6547 0.7040 0.7040 1.5289 1.5289 1.8157 1.8157 2.6115 2.6115 2.8837 2.8837 7.9827 7.9827 8.3334 8.3334 9.5848 9.5848 9.9594 9.9594 k = 0.4417 0.4417 0.3014 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7211 -40.7211 -40.7209 -40.7209 -4.5985 -4.5985 -4.5097 -4.5097 0.6681 0.6681 0.7332 0.7332 1.4724 1.4724 1.8333 1.8333 2.6335 2.6335 2.9735 2.9735 7.8969 7.8969 8.3387 8.3387 9.6017 9.6017 10.0748 10.0748 k = 0.4333 0.4333 0.3014 ( 10390 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7211 -40.7211 -40.7208 -40.7208 -4.6299 -4.6299 -4.5156 -4.5156 0.6836 0.6836 0.7658 0.7658 1.4167 1.4167 1.8535 1.8535 2.6591 2.6591 3.0670 3.0670 7.8110 7.8110 8.3451 8.3451 9.6211 9.6211 10.1942 10.1942 k = 0.4250 0.4250 0.3014 ( 10400 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7212 -40.7212 -40.7208 -40.7208 -4.6646 -4.6646 -4.5223 -4.5223 0.7011 0.7011 0.8014 0.8014 1.3626 1.3626 1.8764 1.8764 2.6883 2.6883 3.1629 3.1629 7.7266 7.7266 8.3526 8.3526 9.6432 9.6432 10.3076 10.3076 k = 0.4167 0.4167 0.3014 ( 10388 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7212 -40.7212 -40.7208 -40.7208 -4.7023 -4.7023 -4.5298 -4.5298 0.7207 0.7207 0.8396 0.8396 1.3110 1.3110 1.9020 1.9020 2.7212 2.7212 3.2601 3.2601 7.6450 7.6450 8.3615 8.3615 9.6678 9.6678 10.3157 10.3157 k = 0.4083 0.4083 0.3014 ( 10400 PWs) bands (ev): -95.0804 -95.0804 -95.0803 -95.0803 -40.7213 -40.7213 -40.7207 -40.7207 -4.7429 -4.7429 -4.5381 -4.5381 0.7422 0.7422 0.8800 0.8800 1.2622 1.2622 1.9303 1.9303 2.7579 2.7579 3.3577 3.3577 7.5674 7.5674 8.3718 8.3718 9.6949 9.6949 10.3122 10.3122 k = 0.4000 0.4000 0.3014 ( 10392 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7214 -40.7214 -40.7207 -40.7207 -4.7859 -4.7859 -4.5473 -4.5473 0.7656 0.7656 0.9220 0.9220 1.2168 1.2168 1.9612 1.9612 2.7983 2.7983 3.4546 3.4546 7.4949 7.4949 8.3836 8.3836 9.7246 9.7246 10.3102 10.3102 k = 0.3917 0.3917 0.3014 ( 10390 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7214 -40.7214 -40.7207 -40.7207 -4.8311 -4.8311 -4.5573 -4.5573 0.7909 0.7909 0.9654 0.9654 1.1750 1.1750 1.9947 1.9947 2.8426 2.8426 3.5501 3.5501 7.4284 7.4284 8.3972 8.3972 9.7567 9.7567 10.3099 10.3099 k = 0.3833 0.3833 0.3014 ( 10390 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7215 -40.7215 -40.7206 -40.7206 -4.8784 -4.8784 -4.5682 -4.5682 0.8180 0.8180 1.0093 1.0093 1.1374 1.1374 2.0309 2.0309 2.8906 2.8906 3.6431 3.6431 7.3688 7.3688 8.4127 8.4127 9.7913 9.7913 10.3117 10.3117 k = 0.3750 0.3750 0.3014 ( 10394 PWs) bands (ev): -95.0804 -95.0804 -95.0802 -95.0802 -40.7216 -40.7216 -40.7206 -40.7206 -4.9272 -4.9272 -4.5798 -4.5798 0.8467 0.8467 1.0525 1.0525 1.1052 1.1052 2.0697 2.0697 2.9423 2.9423 3.7326 3.7326 7.3172 7.3172 8.4303 8.4303 9.8284 9.8284 10.3158 10.3158 k = 0.3667 0.3667 0.3014 ( 10386 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7217 -40.7217 -40.7205 -40.7205 -4.9775 -4.9775 -4.5923 -4.5923 0.8767 0.8767 1.0688 1.0688 1.1049 1.1049 2.1111 2.1111 2.9977 2.9977 3.8176 3.8176 7.2745 7.2745 8.4501 8.4501 9.8680 9.8680 10.3223 10.3223 k = 0.3583 0.3583 0.3014 ( 10398 PWs) bands (ev): -95.0805 -95.0805 -95.0802 -95.0802 -40.7218 -40.7218 -40.7205 -40.7205 -5.0290 -5.0290 -4.6056 -4.6056 0.9073 0.9073 1.0480 1.0480 1.1469 1.1469 2.1551 2.1551 3.0566 3.0566 3.8972 3.8972 7.2417 7.2417 8.4725 8.4725 9.9099 9.9099 10.3314 10.3314 k = 0.3500 0.3500 0.3014 ( 10398 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7219 -40.7219 -40.7204 -40.7204 -5.0815 -5.0815 -4.6196 -4.6196 0.9363 0.9363 1.0325 1.0325 1.1910 1.1910 2.2017 2.2017 3.1189 3.1189 3.9703 3.9703 7.2197 7.2197 8.4975 8.4975 9.9542 9.9542 10.3432 10.3432 k = 0.3417 0.3417 0.3014 ( 10410 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7220 -40.7220 -40.7204 -40.7204 -5.1346 -5.1346 -4.6344 -4.6344 0.9576 0.9576 1.0304 1.0304 1.2348 1.2348 2.2508 2.2508 3.1843 3.1843 4.0359 4.0359 7.2094 7.2094 8.5253 8.5253 10.0008 10.0008 10.3578 10.3578 k = 0.3333 0.3333 0.3014 ( 10418 PWs) bands (ev): -95.0805 -95.0805 -95.0801 -95.0801 -40.7221 -40.7221 -40.7203 -40.7203 -5.1883 -5.1883 -4.6499 -4.6499 0.9640 0.9640 1.0493 1.0493 1.2780 1.2780 2.3025 2.3025 3.2526 3.2526 4.0933 4.0933 7.2115 7.2115 8.5563 8.5563 10.0497 10.0497 10.3751 10.3751 k = 0.3250 0.3250 0.3014 ( 10424 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7222 -40.7222 -40.7203 -40.7203 -5.2424 -5.2424 -4.6662 -4.6662 0.9624 0.9624 1.0822 1.0822 1.3204 1.3204 2.3568 2.3568 3.3235 3.3235 4.1418 4.1418 7.2265 7.2265 8.5906 8.5906 10.1008 10.1008 10.3952 10.3952 k = 0.3167 0.3167 0.3014 ( 10416 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7223 -40.7223 -40.7202 -40.7202 -5.2965 -5.2965 -4.6831 -4.6831 0.9607 0.9607 1.1213 1.1213 1.3618 1.3618 2.4135 2.4135 3.3968 3.3968 4.1810 4.1810 7.2546 7.2546 8.6284 8.6284 10.1541 10.1541 10.4182 10.4182 k = 0.3083 0.3083 0.3014 ( 10426 PWs) bands (ev): -95.0806 -95.0806 -95.0801 -95.0801 -40.7224 -40.7224 -40.7202 -40.7202 -5.3507 -5.3507 -4.7006 -4.7006 0.9617 0.9617 1.1636 1.1636 1.4022 1.4022 2.4728 2.4728 3.4720 3.4720 4.2107 4.2107 7.2959 7.2959 8.6698 8.6698 10.2095 10.2095 10.4439 10.4439 k = 0.3000 0.3000 0.3014 ( 10414 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7225 -40.7225 -40.7201 -40.7201 -5.4047 -5.4047 -4.7186 -4.7186 0.9662 0.9662 1.2084 1.2084 1.4416 1.4416 2.5345 2.5345 3.5488 3.5488 4.2313 4.2313 7.3502 7.3502 8.7152 8.7152 10.2670 10.2670 10.4724 10.4724 k = 0.2917 0.2917 0.3014 ( 10418 PWs) bands (ev): -95.0806 -95.0806 -95.0800 -95.0800 -40.7226 -40.7226 -40.7201 -40.7201 -5.4583 -5.4583 -4.7372 -4.7372 0.9747 0.9747 1.2550 1.2550 1.4799 1.4799 2.5986 2.5986 3.6268 3.6268 4.2429 4.2429 7.4167 7.4167 8.7647 8.7647 10.3264 10.3264 10.5036 10.5036 k = 0.2833 0.2833 0.3014 ( 10414 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7228 -40.7228 -40.7200 -40.7200 -5.5115 -5.5115 -4.7563 -4.7563 0.9872 0.9872 1.3034 1.3034 1.5171 1.5171 2.6651 2.6651 3.7057 3.7057 4.2463 4.2463 7.4947 7.4947 8.8183 8.8183 10.3877 10.3877 10.5374 10.5374 k = 0.2750 0.2750 0.3014 ( 10414 PWs) bands (ev): -95.0807 -95.0807 -95.0800 -95.0800 -40.7229 -40.7229 -40.7200 -40.7200 -5.5641 -5.5641 -4.7758 -4.7758 1.0037 1.0037 1.3533 1.3533 1.5534 1.5534 2.7340 2.7340 3.7849 3.7849 4.2422 4.2422 7.5833 7.5833 8.8763 8.8763 10.4507 10.4507 10.5737 10.5737 k = 0.2667 0.2667 0.3014 ( 10418 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7230 -40.7230 -40.7199 -40.7199 -5.6161 -5.6161 -4.7956 -4.7956 1.0243 1.0243 1.4045 1.4045 1.5888 1.5888 2.8052 2.8052 3.8642 3.8642 4.2316 4.2316 7.6815 7.6815 8.9388 8.9388 10.5153 10.5153 10.6122 10.6122 k = 0.2583 0.2583 0.3014 ( 10428 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7231 -40.7231 -40.7198 -40.7198 -5.6672 -5.6672 -4.8156 -4.8156 1.0488 1.0488 1.4569 1.4569 1.6233 1.6233 2.8787 2.8787 3.9431 3.9431 4.2154 4.2154 7.7881 7.7881 9.0057 9.0057 10.5813 10.5813 10.6527 10.6527 k = 0.2500 0.2500 0.3014 ( 10422 PWs) bands (ev): -95.0807 -95.0807 -95.0799 -95.0799 -40.7232 -40.7232 -40.7198 -40.7198 -5.7174 -5.7174 -4.8359 -4.8359 1.0773 1.0773 1.5102 1.5102 1.6573 1.6573 2.9544 2.9544 4.0207 4.0207 4.1948 4.1948 7.9020 7.9020 9.0772 9.0772 10.6484 10.6484 10.6935 10.6935 k = 0.2417 0.2417 0.3014 ( 10422 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7234 -40.7234 -40.7197 -40.7197 -5.7666 -5.7666 -4.8563 -4.8563 1.1096 1.1096 1.5641 1.5641 1.6910 1.6910 3.0322 3.0322 4.0944 4.0944 4.1731 4.1731 8.0222 8.0222 9.1532 9.1532 10.7086 10.7086 10.7175 10.7175 k = 0.2333 0.2333 0.3014 ( 10416 PWs) bands (ev): -95.0808 -95.0808 -95.0799 -95.0799 -40.7235 -40.7235 -40.7197 -40.7197 -5.8148 -5.8148 -4.8768 -4.8768 1.1456 1.1456 1.6180 1.6180 1.7248 1.7248 3.1121 3.1121 4.1271 4.1271 4.1878 4.1878 8.1477 8.1477 9.2335 9.2335 10.6655 10.6655 10.6934 10.6934 k = 0.2250 0.2250 0.3014 ( 10408 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7236 -40.7236 -40.7196 -40.7196 -5.8618 -5.8618 -4.8973 -4.8973 1.1853 1.1853 1.6706 1.6706 1.7600 1.7600 3.1940 3.1940 4.1018 4.1018 4.2564 4.2564 8.2775 8.2775 9.3182 9.3182 10.4759 10.4759 10.6120 10.6120 k = 0.2167 0.2167 0.3014 ( 10422 PWs) bands (ev): -95.0808 -95.0808 -95.0798 -95.0798 -40.7237 -40.7237 -40.7195 -40.7195 -5.9075 -5.9075 -4.9178 -4.9178 1.2285 1.2285 1.7200 1.7200 1.7984 1.7984 3.2777 3.2777 4.0693 4.0693 4.3285 4.3285 8.4106 8.4106 9.4068 9.4068 10.2673 10.2673 10.5281 10.5281 k = 0.2083 0.2083 0.3014 ( 10430 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7238 -40.7238 -40.7195 -40.7195 -5.9520 -5.9520 -4.9381 -4.9381 1.2752 1.2752 1.7636 1.7636 1.8425 1.8425 3.3631 3.3631 4.0345 4.0345 4.3995 4.3995 8.5460 8.5460 9.4992 9.4992 10.0621 10.0621 10.4272 10.4272 k = 0.2000 0.2000 0.3014 ( 10426 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7239 -40.7239 -40.7194 -40.7194 -5.9951 -5.9951 -4.9582 -4.9582 1.3251 1.3251 1.8006 1.8006 1.8931 1.8931 3.4500 3.4500 3.9985 3.9985 4.4686 4.4686 8.6824 8.6824 9.5950 9.5950 9.8615 9.8615 10.3139 10.3139 k = 0.1917 0.1917 0.3014 ( 10434 PWs) bands (ev): -95.0809 -95.0809 -95.0798 -95.0798 -40.7241 -40.7241 -40.7194 -40.7194 -6.0368 -6.0368 -4.9780 -4.9780 1.3781 1.3781 1.8324 1.8324 1.9484 1.9484 3.5380 3.5380 3.9620 3.9620 4.5356 4.5356 8.8177 8.8177 9.6673 9.6673 9.6936 9.6936 10.1925 10.1925 k = 0.1833 0.1833 0.3014 ( 10432 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7242 -40.7242 -40.7193 -40.7193 -6.0771 -6.0771 -4.9975 -4.9975 1.4342 1.4342 1.8611 1.8611 2.0065 2.0065 3.6261 3.6261 3.9264 3.9264 4.6003 4.6003 8.9462 8.9462 9.4855 9.4855 9.7941 9.7941 10.0664 10.0664 k = 0.1750 0.1750 0.3014 ( 10428 PWs) bands (ev): -95.0809 -95.0809 -95.0797 -95.0797 -40.7243 -40.7243 -40.7192 -40.7192 -6.1158 -6.1158 -5.0165 -5.0165 1.4930 1.4930 1.8876 1.8876 2.0661 2.0661 3.7112 3.7112 3.8948 3.8948 4.6627 4.6627 9.0407 9.0407 9.3424 9.3424 9.8959 9.8959 9.9382 9.9382 k = 0.1667 0.1667 0.3014 ( 10416 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7244 -40.7244 -40.7192 -40.7192 -6.1530 -6.1530 -5.0352 -5.0352 1.5544 1.5544 1.9125 1.9125 2.1265 2.1265 3.7758 3.7758 3.8847 3.8847 4.7225 4.7225 8.9999 8.9999 9.3395 9.3395 9.8096 9.8096 9.9979 9.9979 k = 0.1583 0.1583 0.3014 ( 10424 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7245 -40.7245 -40.7191 -40.7191 -6.1886 -6.1886 -5.0532 -5.0532 1.6181 1.6181 1.9361 1.9361 2.1872 2.1872 3.7779 3.7779 3.9382 3.9382 4.7798 4.7798 8.8524 8.8524 9.4479 9.4479 9.6819 9.6819 10.0986 10.0986 k = 0.1500 0.1500 0.3014 ( 10420 PWs) bands (ev): -95.0810 -95.0810 -95.0797 -95.0797 -40.7246 -40.7246 -40.7191 -40.7191 -6.2225 -6.2225 -5.0708 -5.0708 1.6841 1.6841 1.9586 1.9586 2.2478 2.2478 3.7485 3.7485 4.0240 4.0240 4.8346 4.8346 8.6861 8.6861 9.5544 9.5544 9.5816 9.5816 10.1962 10.1962 k = 0.1417 0.1417 0.3014 ( 10428 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7247 -40.7247 -40.7190 -40.7190 -6.2548 -6.2548 -5.0876 -5.0876 1.7518 1.7518 1.9802 1.9802 2.3080 2.3080 3.7130 3.7130 4.1166 4.1166 4.8867 4.8867 8.5191 8.5191 9.4327 9.4327 9.7175 9.7175 10.2884 10.2884 k = 0.1333 0.1333 0.3014 ( 10436 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7248 -40.7248 -40.7190 -40.7190 -6.2854 -6.2854 -5.1038 -5.1038 1.8209 1.8209 2.0013 2.0013 2.3675 2.3675 3.6759 3.6759 4.2113 4.2113 4.9363 4.9363 8.3554 8.3554 9.3131 9.3131 9.8560 9.8560 10.1766 10.1766 k = 0.1250 0.1250 0.3014 ( 10428 PWs) bands (ev): -95.0810 -95.0810 -95.0796 -95.0796 -40.7249 -40.7249 -40.7190 -40.7190 -6.3143 -6.3143 -5.1193 -5.1193 1.8904 1.8904 2.0223 2.0223 2.4260 2.4260 3.6383 3.6383 4.3067 4.3067 4.9832 4.9832 8.1966 8.1966 9.1974 9.1974 9.9875 9.9875 10.0372 10.0372 k = 0.1167 0.1167 0.3014 ( 10436 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7249 -40.7249 -40.7189 -40.7189 -6.3414 -6.3414 -5.1339 -5.1339 1.9580 1.9580 2.0456 2.0456 2.4832 2.4832 3.6003 3.6003 4.4019 4.4019 5.0276 5.0276 8.0436 8.0436 9.0861 9.0861 9.8822 9.8822 10.1363 10.1363 k = 0.1083 0.1083 0.3014 ( 10444 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7250 -40.7250 -40.7189 -40.7189 -6.3667 -6.3667 -5.1478 -5.1478 2.0150 2.0150 2.0794 2.0794 2.5387 2.5387 3.5623 3.5623 4.4964 4.4964 5.0695 5.0695 7.8971 7.8971 8.9797 8.9797 9.7414 9.7414 10.2729 10.2729 k = 0.1000 0.1000 0.3014 ( 10448 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7251 -40.7251 -40.7188 -40.7188 -6.3903 -6.3903 -5.1607 -5.1607 2.0489 2.0489 2.1359 2.1359 2.5922 2.5922 3.5239 3.5239 4.5894 4.5894 5.1088 5.1088 7.7578 7.7578 8.8788 8.8788 9.6040 9.6040 10.4079 10.4079 k = 0.0917 0.0917 0.3014 ( 10444 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.4120 -6.4120 -5.1728 -5.1728 2.0692 2.0692 2.2054 2.2054 2.6434 2.6434 3.4853 3.4853 4.6802 4.6802 5.1458 5.1458 7.6261 7.6261 8.7838 8.7838 9.4711 9.4711 10.5318 10.5318 k = 0.0833 0.0833 0.3014 ( 10440 PWs) bands (ev): -95.0811 -95.0811 -95.0796 -95.0796 -40.7252 -40.7252 -40.7188 -40.7188 -6.4319 -6.4319 -5.1839 -5.1839 2.0849 2.0849 2.2785 2.2785 2.6918 2.6918 3.4463 3.4463 4.7679 4.7679 5.1805 5.1805 7.5027 7.5027 8.6951 8.6951 9.3437 9.3437 10.5648 10.5648 k = 0.0750 0.0750 0.3014 ( 10440 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7188 -40.7188 -6.4499 -6.4499 -5.1941 -5.1941 2.0980 2.0980 2.3526 2.3526 2.7373 2.7373 3.4066 3.4066 4.8516 4.8516 5.2130 5.2130 7.3883 7.3883 8.6132 8.6132 9.2228 9.2228 10.5564 10.5564 k = 0.0667 0.0667 0.3014 ( 10448 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7253 -40.7253 -40.7187 -40.7187 -6.4661 -6.4661 -5.2033 -5.2033 2.1095 2.1095 2.4266 2.4266 2.7793 2.7793 3.3661 3.3661 4.9299 4.9299 5.2437 5.2437 7.2835 7.2835 8.5385 8.5385 9.1094 9.1094 10.5408 10.5408 k = 0.0583 0.0583 0.3014 ( 10450 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.4805 -6.4805 -5.2114 -5.2114 2.1195 2.1195 2.4998 2.4998 2.8175 2.8175 3.3245 3.3245 5.0015 5.0015 5.2728 5.2728 7.1889 7.1889 8.4714 8.4714 9.0048 9.0048 10.5222 10.5222 k = 0.0500 0.0500 0.3014 ( 10466 PWs) bands (ev): -95.0811 -95.0811 -95.0795 -95.0795 -40.7254 -40.7254 -40.7187 -40.7187 -6.4929 -6.4929 -5.2185 -5.2185 2.1281 2.1281 2.5717 2.5717 2.8516 2.8516 3.2816 3.2816 5.0649 5.0649 5.3007 5.3007 7.1052 7.1052 8.4122 8.4122 8.9100 8.9100 10.5028 10.5028 k = 0.0417 0.0417 0.3014 ( 10460 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5034 -6.5034 -5.2246 -5.2246 2.1353 2.1353 2.6418 2.6418 2.8814 2.8814 3.2372 3.2372 5.1184 5.1184 5.3276 5.3276 7.0330 7.0330 8.3615 8.3615 8.8266 8.8266 10.4843 10.4843 k = 0.0333 0.0333 0.3014 ( 10460 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5120 -6.5120 -5.2295 -5.2295 2.1413 2.1413 2.7094 2.7094 2.9067 2.9067 3.1911 3.1911 5.1611 5.1611 5.3532 5.3532 6.9730 6.9730 8.3196 8.3196 8.7558 8.7558 10.4678 10.4678 k = 0.0250 0.0250 0.3014 ( 10472 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7187 -40.7187 -6.5188 -6.5188 -5.2334 -5.2334 2.1458 2.1458 2.7735 2.7735 2.9277 2.9277 3.1434 3.1434 5.1929 5.1929 5.3763 5.3763 6.9257 6.9257 8.2866 8.2866 8.6990 8.6990 10.4542 10.4542 k = 0.0167 0.0167 0.3014 ( 10470 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5236 -6.5236 -5.2362 -5.2362 2.1491 2.1491 2.8318 2.8318 2.9457 2.9457 3.0943 3.0943 5.2144 5.2144 5.3950 5.3950 6.8916 6.8916 8.2629 8.2629 8.6574 8.6574 10.4441 10.4441 k = 0.0083 0.0083 0.3014 ( 10458 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5265 -6.5265 -5.2378 -5.2378 2.1511 2.1511 2.8775 2.8775 2.9659 2.9659 3.0449 3.0449 5.2267 5.2267 5.4072 5.4072 6.8709 6.8709 8.2486 8.2486 8.6321 8.6321 10.4379 10.4379 k = 0.0000 0.0000 0.3014 ( 10478 PWs) bands (ev): -95.0812 -95.0812 -95.0795 -95.0795 -40.7255 -40.7255 -40.7186 -40.7186 -6.5275 -6.5275 -5.2384 -5.2384 2.1517 2.1517 2.8955 2.8955 2.9981 2.9981 3.0003 3.0003 5.2307 5.2307 5.4114 5.4114 6.8640 6.8640 8.2438 8.2438 8.6235 8.6235 10.4358 10.4358 k = 0.0000 0.5000-0.0000 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2554 -5.2554 -5.2554 -5.2554 0.3769 0.3769 0.3769 0.3769 2.9356 2.9356 2.9356 2.9356 4.7669 4.7669 4.7669 4.7669 8.8421 8.8421 8.8421 8.8421 10.7147 10.7147 10.7147 10.7147 k = 0.0000 0.5000 0.0116 ( 10438 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2554 -5.2554 -5.2554 -5.2554 0.3752 0.3752 0.3752 0.3752 2.9395 2.9395 2.9395 2.9395 4.7671 4.7671 4.7671 4.7671 8.8417 8.8417 8.8417 8.8417 10.7092 10.7092 10.7092 10.7092 k = 0.0000 0.5000 0.0232 ( 10444 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2552 -5.2552 -5.2552 -5.2552 0.3701 0.3701 0.3701 0.3701 2.9510 2.9510 2.9510 2.9510 4.7676 4.7676 4.7676 4.7676 8.8408 8.8408 8.8408 8.8408 10.6918 10.6918 10.6918 10.6918 k = 0.0000 0.5000 0.0348 ( 10424 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2550 -5.2550 -5.2550 -5.2550 0.3617 0.3617 0.3617 0.3617 2.9700 2.9700 2.9700 2.9700 4.7685 4.7685 4.7685 4.7685 8.8392 8.8392 8.8392 8.8392 10.6546 10.6546 10.6546 10.6546 k = 0.0000 0.5000 0.0464 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2546 -5.2546 -5.2546 -5.2546 0.3503 0.3503 0.3503 0.3503 2.9962 2.9962 2.9962 2.9962 4.7698 4.7698 4.7698 4.7698 8.8369 8.8369 8.8369 8.8369 10.5664 10.5664 10.5664 10.5665 k = 0.0000 0.5000 0.0580 ( 10426 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2542 -5.2542 -5.2542 -5.2542 0.3361 0.3361 0.3361 0.3361 3.0293 3.0293 3.0293 3.0293 4.7713 4.7713 4.7713 4.7713 8.8339 8.8339 8.8339 8.8339 10.4406 10.4406 10.4406 10.4406 k = 0.0000 0.5000 0.0696 ( 10446 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2537 -5.2537 -5.2537 -5.2537 0.3196 0.3196 0.3196 0.3196 3.0687 3.0687 3.0687 3.0687 4.7732 4.7732 4.7732 4.7732 8.8299 8.8299 8.8299 8.8299 10.3018 10.3018 10.3018 10.3018 k = 0.0000 0.5000 0.0812 ( 10446 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2531 -5.2531 -5.2531 -5.2531 0.3010 0.3010 0.3010 0.3010 3.1139 3.1139 3.1139 3.1139 4.7754 4.7754 4.7754 4.7754 8.8249 8.8249 8.8249 8.8249 10.1573 10.1573 10.1573 10.1573 k = 0.0000 0.5000 0.0927 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2524 -5.2524 -5.2524 -5.2524 0.2808 0.2808 0.2808 0.2808 3.1643 3.1643 3.1643 3.1643 4.7778 4.7778 4.7778 4.7778 8.8186 8.8186 8.8186 8.8186 10.0108 10.0108 10.0108 10.0108 k = 0.0000 0.5000 0.1043 ( 10430 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2517 -5.2517 -5.2517 -5.2517 0.2595 0.2595 0.2595 0.2595 3.2194 3.2194 3.2194 3.2194 4.7805 4.7805 4.7805 4.7805 8.8106 8.8106 8.8106 8.8106 9.8645 9.8645 9.8645 9.8645 k = 0.0000 0.5000 0.1159 ( 10428 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2509 -5.2509 -5.2509 -5.2509 0.2372 0.2372 0.2372 0.2372 3.2784 3.2784 3.2784 3.2784 4.7833 4.7833 4.7833 4.7833 8.8003 8.8003 8.8003 8.8003 9.7209 9.7209 9.7209 9.7209 k = 0.0000 0.5000 0.1275 ( 10428 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2501 -5.2501 -5.2501 -5.2501 0.2146 0.2146 0.2146 0.2146 3.3407 3.3407 3.3407 3.3407 4.7863 4.7863 4.7863 4.7863 8.7867 8.7867 8.7867 8.7867 9.5820 9.5820 9.5820 9.5820 k = 0.0000 0.5000 0.1391 ( 10428 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2493 -5.2493 -5.2493 -5.2493 0.1919 0.1919 0.1919 0.1919 3.4055 3.4055 3.4055 3.4055 4.7894 4.7894 4.7894 4.7894 8.7684 8.7684 8.7684 8.7684 9.4505 9.4505 9.4505 9.4505 k = 0.0000 0.5000 0.1507 ( 10416 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2484 -5.2484 -5.2484 -5.2484 0.1694 0.1694 0.1694 0.1694 3.4720 3.4720 3.4720 3.4720 4.7927 4.7927 4.7927 4.7927 8.7431 8.7431 8.7431 8.7431 9.3296 9.3296 9.3296 9.3296 k = 0.0000 0.5000 0.1623 ( 10404 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2476 -5.2476 -5.2476 -5.2476 0.1475 0.1475 0.1475 0.1475 3.5395 3.5395 3.5395 3.5395 4.7959 4.7959 4.7959 4.7959 8.7078 8.7078 8.7078 8.7078 9.2234 9.2234 9.2234 9.2234 k = 0.0000 0.5000 0.1739 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2468 -5.2468 -5.2468 -5.2468 0.1264 0.1264 0.1264 0.1264 3.6071 3.6071 3.6071 3.6071 4.7992 4.7992 4.7992 4.7992 8.6593 8.6593 8.6593 8.6593 9.1359 9.1359 9.1359 9.1359 k = 0.0000 0.5000 0.1855 ( 10418 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2459 -5.2459 -5.2459 -5.2459 0.1064 0.1064 0.1064 0.1064 3.6740 3.6740 3.6740 3.6740 4.8024 4.8024 4.8024 4.8024 8.5965 8.5965 8.5965 8.5965 9.0691 9.0691 9.0691 9.0691 k = 0.0000 0.5000 0.1971 ( 10414 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2452 -5.2452 -5.2452 -5.2452 0.0877 0.0877 0.0877 0.0877 3.7391 3.7391 3.7391 3.7391 4.8056 4.8056 4.8056 4.8056 8.5221 8.5221 8.5221 8.5221 9.0215 9.0215 9.0215 9.0215 k = 0.0000 0.5000 0.2087 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2444 -5.2444 -5.2444 -5.2444 0.0705 0.0705 0.0705 0.0705 3.8015 3.8015 3.8015 3.8015 4.8086 4.8086 4.8086 4.8086 8.4417 8.4417 8.4417 8.4417 8.9885 8.9885 8.9885 8.9885 k = 0.0000 0.5000 0.2203 ( 10386 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2438 -5.2438 -5.2438 -5.2438 0.0549 0.0549 0.0549 0.0549 3.8601 3.8601 3.8601 3.8601 4.8115 4.8115 4.8115 4.8115 8.3607 8.3607 8.3607 8.3607 8.9658 8.9658 8.9658 8.9658 k = 0.0000 0.5000 0.2319 ( 10388 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2432 -5.2432 -5.2432 -5.2432 0.0411 0.0411 0.0411 0.0411 3.9139 3.9139 3.9139 3.9139 4.8141 4.8141 4.8141 4.8141 8.2836 8.2836 8.2836 8.2836 8.9498 8.9498 8.9498 8.9498 k = 0.0000 0.5000 0.2435 ( 10408 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2426 -5.2426 -5.2426 -5.2426 0.0292 0.0292 0.0292 0.0292 3.9617 3.9617 3.9617 3.9617 4.8165 4.8165 4.8165 4.8165 8.2138 8.2138 8.2138 8.2138 8.9384 8.9384 8.9384 8.9384 k = 0.0000 0.5000 0.2550 ( 10406 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2422 -5.2422 -5.2422 -5.2422 0.0194 0.0194 0.0194 0.0194 4.0026 4.0026 4.0026 4.0026 4.8185 4.8185 4.8185 4.8185 8.1536 8.1536 8.1536 8.1536 8.9304 8.9304 8.9304 8.9304 k = 0.0000 0.5000 0.2666 ( 10402 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2418 -5.2418 -5.2418 -5.2418 0.0117 0.0117 0.0117 0.0117 4.0356 4.0356 4.0356 4.0356 4.8202 4.8202 4.8202 4.8202 8.1050 8.1050 8.1050 8.1050 8.9247 8.9247 8.9247 8.9247 k = 0.0000 0.5000 0.2782 ( 10386 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2416 -5.2416 -5.2416 -5.2416 0.0061 0.0061 0.0061 0.0061 4.0598 4.0598 4.0598 4.0598 4.8214 4.8214 4.8214 4.8214 8.0693 8.0693 8.0693 8.0693 8.9210 8.9210 8.9210 8.9210 k = 0.0000 0.5000 0.2898 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2414 -5.2414 -5.2414 -5.2414 0.0028 0.0028 0.0028 0.0028 4.0746 4.0746 4.0746 4.0746 4.8222 4.8222 4.8222 4.8222 8.0475 8.0475 8.0475 8.0475 8.9188 8.9188 8.9188 8.9188 k = 0.0000 0.5000 0.3014 ( 10396 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7215 -40.7215 -40.7215 -40.7215 -5.2414 -5.2414 -5.2414 -5.2414 0.0016 0.0016 0.0016 0.0016 4.0796 4.0796 4.0796 4.0796 4.8224 4.8224 4.8224 4.8224 8.0401 8.0401 8.0401 8.0401 8.9181 8.9181 8.9181 8.9181 k = 0.5000 0.5000-0.0000 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4871 -4.4871 -4.4871 -4.4871 0.3443 0.3443 0.3443 0.3443 2.3651 2.3651 2.3651 2.3651 2.5911 2.5911 2.5911 2.5911 7.2963 7.2963 7.2963 7.2963 7.7654 7.7654 7.7654 7.7654 k = 0.5000 0.5000 0.0116 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4871 -4.4871 -4.4871 -4.4871 0.3451 0.3451 0.3451 0.3451 2.3631 2.3631 2.3631 2.3631 2.5909 2.5909 2.5909 2.5909 7.3012 7.3012 7.3012 7.3012 7.7671 7.7671 7.7671 7.7671 k = 0.5000 0.5000 0.0232 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4872 -4.4872 -4.4872 -4.4872 0.3474 0.3474 0.3474 0.3474 2.3569 2.3569 2.3569 2.3569 2.5902 2.5902 2.5902 2.5902 7.3157 7.3157 7.3157 7.3157 7.7721 7.7721 7.7721 7.7721 k = 0.5000 0.5000 0.0348 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4872 -4.4872 -4.4872 -4.4872 0.3511 0.3511 0.3511 0.3511 2.3468 2.3468 2.3468 2.3468 2.5891 2.5891 2.5891 2.5891 7.3399 7.3399 7.3399 7.3399 7.7803 7.7803 7.7803 7.7803 k = 0.5000 0.5000 0.0464 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4873 -4.4873 -4.4873 -4.4873 0.3564 0.3564 0.3564 0.3564 2.3327 2.3327 2.3327 2.3327 2.5877 2.5877 2.5877 2.5877 7.3735 7.3735 7.3735 7.3735 7.7918 7.7918 7.7918 7.7918 k = 0.5000 0.5000 0.0580 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4874 -4.4874 -4.4874 -4.4874 0.3630 0.3630 0.3630 0.3630 2.3149 2.3149 2.3149 2.3149 2.5860 2.5860 2.5860 2.5860 7.4162 7.4162 7.4162 7.4162 7.8064 7.8064 7.8064 7.8064 k = 0.5000 0.5000 0.0696 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4875 -4.4875 -4.4875 -4.4875 0.3711 0.3711 0.3711 0.3711 2.2936 2.2936 2.2936 2.2936 2.5842 2.5842 2.5842 2.5842 7.4679 7.4679 7.4679 7.4679 7.8240 7.8240 7.8240 7.8240 k = 0.5000 0.5000 0.0812 ( 10348 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4877 -4.4877 -4.4877 -4.4877 0.3806 0.3806 0.3806 0.3806 2.2691 2.2691 2.2691 2.2691 2.5821 2.5821 2.5821 2.5821 7.5282 7.5282 7.5282 7.5282 7.8445 7.8445 7.8445 7.8445 k = 0.5000 0.5000 0.0927 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4879 -4.4879 -4.4879 -4.4879 0.3912 0.3912 0.3912 0.3912 2.2417 2.2417 2.2417 2.2417 2.5800 2.5800 2.5800 2.5800 7.5967 7.5967 7.5967 7.5967 7.8677 7.8677 7.8677 7.8677 k = 0.5000 0.5000 0.1043 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4880 -4.4880 -4.4880 -4.4880 0.4031 0.4031 0.4031 0.4031 2.2119 2.2119 2.2119 2.2119 2.5779 2.5779 2.5779 2.5779 7.6731 7.6731 7.6731 7.6731 7.8933 7.8933 7.8933 7.8933 k = 0.5000 0.5000 0.1159 ( 10372 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4882 -4.4882 -4.4882 -4.4882 0.4161 0.4161 0.4161 0.4161 2.1799 2.1799 2.1799 2.1799 2.5757 2.5757 2.5757 2.5757 7.7568 7.7568 7.7568 7.7568 7.9213 7.9213 7.9213 7.9213 k = 0.5000 0.5000 0.1275 ( 10380 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4884 -4.4884 -4.4884 -4.4884 0.4301 0.4301 0.4301 0.4301 2.1464 2.1464 2.1464 2.1464 2.5735 2.5735 2.5735 2.5735 7.8474 7.8474 7.8474 7.8474 7.9515 7.9515 7.9515 7.9515 k = 0.5000 0.5000 0.1391 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4886 -4.4886 -4.4886 -4.4886 0.4449 0.4449 0.4449 0.4449 2.1116 2.1116 2.1116 2.1116 2.5714 2.5714 2.5714 2.5714 7.9427 7.9427 7.9427 7.9427 7.9852 7.9852 7.9852 7.9852 k = 0.5000 0.5000 0.1507 ( 10376 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4888 -4.4888 -4.4888 -4.4888 0.4606 0.4606 0.4606 0.4606 2.0761 2.0761 2.0761 2.0761 2.5693 2.5693 2.5693 2.5693 8.0096 8.0096 8.0096 8.0096 8.0549 8.0549 8.0549 8.0549 k = 0.5000 0.5000 0.1623 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4891 -4.4891 -4.4891 -4.4891 0.4767 0.4767 0.4767 0.4767 2.0404 2.0404 2.0404 2.0404 2.5672 2.5672 2.5672 2.5672 8.0453 8.0453 8.0453 8.0453 8.1625 8.1625 8.1625 8.1625 k = 0.5000 0.5000 0.1739 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4893 -4.4893 -4.4893 -4.4893 0.4932 0.4932 0.4932 0.4932 2.0048 2.0048 2.0048 2.0048 2.5653 2.5653 2.5653 2.5653 8.0794 8.0794 8.0794 8.0794 8.2775 8.2775 8.2775 8.2775 k = 0.5000 0.5000 0.1855 ( 10364 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4895 -4.4895 -4.4895 -4.4895 0.5099 0.5099 0.5099 0.5099 1.9699 1.9699 1.9699 1.9699 2.5634 2.5634 2.5634 2.5634 8.1131 8.1131 8.1131 8.1131 8.3978 8.3978 8.3978 8.3978 k = 0.5000 0.5000 0.1971 ( 10372 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4897 -4.4897 -4.4897 -4.4897 0.5263 0.5263 0.5263 0.5263 1.9363 1.9363 1.9363 1.9363 2.5617 2.5617 2.5617 2.5617 8.1461 8.1461 8.1461 8.1461 8.5227 8.5227 8.5227 8.5227 k = 0.5000 0.5000 0.2087 ( 10372 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4898 -4.4898 -4.4898 -4.4898 0.5425 0.5425 0.5425 0.5425 1.9042 1.9042 1.9042 1.9042 2.5600 2.5600 2.5600 2.5600 8.1777 8.1777 8.1777 8.1777 8.6514 8.6514 8.6514 8.6514 k = 0.5000 0.5000 0.2203 ( 10360 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4900 -4.4900 -4.4900 -4.4900 0.5579 0.5579 0.5579 0.5579 1.8744 1.8744 1.8744 1.8744 2.5586 2.5586 2.5586 2.5586 8.2076 8.2076 8.2076 8.2076 8.7834 8.7834 8.7834 8.7834 k = 0.5000 0.5000 0.2319 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4901 -4.4901 -4.4901 -4.4901 0.5722 0.5722 0.5722 0.5722 1.8472 1.8472 1.8472 1.8472 2.5573 2.5573 2.5573 2.5573 8.2350 8.2350 8.2350 8.2350 8.9174 8.9174 8.9174 8.9174 k = 0.5000 0.5000 0.2435 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4903 -4.4903 -4.4903 -4.4903 0.5851 0.5851 0.5851 0.5851 1.8231 1.8231 1.8231 1.8231 2.5561 2.5561 2.5561 2.5561 8.2595 8.2595 8.2595 8.2595 9.0520 9.0520 9.0520 9.0520 k = 0.5000 0.5000 0.2550 ( 10400 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4904 -4.4904 -4.4904 -4.4904 0.5963 0.5963 0.5963 0.5963 1.8026 1.8026 1.8026 1.8026 2.5552 2.5552 2.5552 2.5552 8.2804 8.2804 8.2804 8.2804 9.1848 9.1848 9.1848 9.1848 k = 0.5000 0.5000 0.2666 ( 10384 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4905 -4.4905 -4.4905 -4.4905 0.6054 0.6054 0.6054 0.6054 1.7862 1.7862 1.7862 1.7862 2.5545 2.5545 2.5545 2.5545 8.2972 8.2972 8.2972 8.2972 9.3114 9.3114 9.3114 9.3114 k = 0.5000 0.5000 0.2782 ( 10368 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4905 -4.4905 -4.4905 -4.4905 0.6122 0.6122 0.6122 0.6122 1.7742 1.7742 1.7742 1.7742 2.5539 2.5539 2.5539 2.5539 8.3096 8.3096 8.3096 8.3096 9.4236 9.4236 9.4236 9.4236 k = 0.5000 0.5000 0.2898 ( 10360 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4906 -4.4906 -4.4906 -4.4906 0.6164 0.6164 0.6164 0.6164 1.7669 1.7669 1.7669 1.7669 2.5536 2.5536 2.5536 2.5536 8.3171 8.3171 8.3171 8.3171 9.5064 9.5064 9.5064 9.5064 k = 0.5000 0.5000 0.3014 ( 10392 PWs) bands (ev): -95.0803 -95.0803 -95.0803 -95.0803 -40.7209 -40.7209 -40.7209 -40.7209 -4.4906 -4.4906 -4.4906 -4.4906 0.6177 0.6177 0.6177 0.6177 1.7644 1.7644 1.7644 1.7644 2.5535 2.5535 2.5535 2.5535 8.3197 8.3197 8.3197 8.3197 9.5381 9.5381 9.5381 9.5381 Writing output data file LiBeAs.save init_run : 0.35s CPU 0.49s WALL ( 1 calls) electrons : 152.04s CPU 154.03s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 152.04s CPU 154.02s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.10s WALL ( 375 calls) cegterg : 131.91s CPU 133.14s WALL ( 431 calls) Called by sum_band: Called by *egterg: h_psi : 103.61s CPU 104.85s WALL ( 6746 calls) s_psi : 2.24s CPU 2.23s WALL ( 6746 calls) g_psi : 0.38s CPU 0.38s WALL ( 5940 calls) cdiaghg : 25.05s CPU 25.37s WALL ( 6315 calls) cegterg:over : 5.57s CPU 5.56s WALL ( 5940 calls) cegterg:upda : 6.65s CPU 6.65s WALL ( 5940 calls) cegterg:last : 3.15s CPU 3.15s WALL ( 1260 calls) cdiaghg:chol : 1.60s CPU 1.53s WALL ( 6315 calls) cdiaghg:inve : 0.70s CPU 0.70s WALL ( 6315 calls) cdiaghg:para : 1.52s CPU 1.45s WALL ( 12630 calls) Called by h_psi: h_psi:vloc : 96.82s CPU 98.09s WALL ( 6746 calls) h_psi:vnl : 6.45s CPU 6.41s WALL ( 6746 calls) add_vuspsi : 2.47s CPU 2.52s WALL ( 6746 calls) General routines calbec : 3.97s CPU 3.88s WALL ( 6746 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 88.16s CPU 89.36s WALL ( 537448 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.25s CPU 0.34s WALL ( 750 calls) Parallel routines fft_scatter : 29.61s CPU 30.30s WALL ( 537471 calls) PWSCF : 2m52.93s CPU 3m 6.96s WALL This run was terminated on: 20:36: 4 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=