Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:49:36 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: ./MnSb.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 37 10 1539 1539 234 Max 38 38 11 1544 1544 241 Sum 1345 1345 379 55467 55467 8499 bravais-lattice index = 14 lattice parameter (alat) = 7.7857 a.u. unit-cell volume = 573.7859 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.785671 celldm(2)= 1.000000 celldm(3)= 1.403883 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.403883 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.712310 ) PseudoPot. # 1 for Mn read from file: /users/gautes/Pseudo/Mn.rel-pbe-oncvpsp.UPF MD5 check sum: d838f0974ec4eb0180564ac5264e0bcc Pseudo is Norm-conserving, Zval = 15.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1464 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Mn 15.00 54.93800 Mn( 1.00) Sb 5.00 121.76000 Sb( 1.00) 24 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 =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7019417 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.7019417 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 337 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0111111 0.0064150 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0222222 0.0128300 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0029674 k( 5) = ( 0.0444444 0.0256600 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0555556 0.0320750 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0029674 k( 8) = ( 0.0777778 0.0449050 -0.0000000), wk = 0.0029674 k( 9) = ( 0.0888889 0.0513200 -0.0000000), wk = 0.0029674 k( 10) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0029674 k( 11) = ( 0.1111111 0.0641500 -0.0000000), wk = 0.0029674 k( 12) = ( 0.1222222 0.0705650 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0029674 k( 14) = ( 0.1444444 0.0833950 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1555556 0.0898100 -0.0000000), wk = 0.0029674 k( 16) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0029674 k( 17) = ( 0.1777778 0.1026400 -0.0000000), wk = 0.0029674 k( 18) = ( 0.1888889 0.1090551 -0.0000000), wk = 0.0029674 k( 19) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0029674 k( 20) = ( 0.2111111 0.1218851 -0.0000000), wk = 0.0029674 k( 21) = ( 0.2222222 0.1283001 -0.0000000), wk = 0.0029674 k( 22) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0029674 k( 23) = ( 0.2444444 0.1411301 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2555556 0.1475451 -0.0000000), wk = 0.0029674 k( 25) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0029674 k( 26) = ( 0.2777778 0.1603751 -0.0000000), wk = 0.0029674 k( 27) = ( 0.2888889 0.1667901 -0.0000000), wk = 0.0029674 k( 28) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0029674 k( 29) = ( 0.3111111 0.1796201 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3222222 0.1860351 -0.0000000), wk = 0.0029674 k( 31) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3444444 0.1988651 -0.0000000), wk = 0.0029674 k( 33) = ( 0.3555556 0.2052801 -0.0000000), wk = 0.0029674 k( 34) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0029674 k( 35) = ( 0.3777778 0.2181101 -0.0000000), wk = 0.0029674 k( 36) = ( 0.3888889 0.2245251 -0.0000000), wk = 0.0029674 k( 37) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0029674 k( 38) = ( 0.4111111 0.2373551 -0.0000000), wk = 0.0029674 k( 39) = ( 0.4222222 0.2437701 -0.0000000), wk = 0.0029674 k( 40) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0029674 k( 41) = ( 0.4444444 0.2566001 -0.0000000), wk = 0.0029674 k( 42) = ( 0.4555556 0.2630151 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0029674 k( 44) = ( 0.4777778 0.2758451 -0.0000000), wk = 0.0029674 k( 45) = ( 0.4888889 0.2822601 -0.0000000), wk = 0.0029674 k( 46) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 48) = ( 0.4935897 0.2997780 -0.0000000), wk = 0.0029674 k( 49) = ( 0.4871795 0.3108809 -0.0000000), wk = 0.0029674 k( 50) = ( 0.4807692 0.3219838 -0.0000000), wk = 0.0029674 k( 51) = ( 0.4743590 0.3330867 -0.0000000), wk = 0.0029674 k( 52) = ( 0.4679487 0.3441896 -0.0000000), wk = 0.0029674 k( 53) = ( 0.4615385 0.3552925 -0.0000000), wk = 0.0029674 k( 54) = ( 0.4551282 0.3663954 -0.0000000), wk = 0.0029674 k( 55) = ( 0.4487179 0.3774983 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4423077 0.3886011 -0.0000000), wk = 0.0029674 k( 57) = ( 0.4358974 0.3997040 -0.0000000), wk = 0.0029674 k( 58) = ( 0.4294872 0.4108069 -0.0000000), wk = 0.0029674 k( 59) = ( 0.4230769 0.4219098 -0.0000000), wk = 0.0029674 k( 60) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0029674 k( 61) = ( 0.4102564 0.4441156 -0.0000000), wk = 0.0029674 k( 62) = ( 0.4038462 0.4552185 -0.0000000), wk = 0.0029674 k( 63) = ( 0.3974359 0.4663214 -0.0000000), wk = 0.0029674 k( 64) = ( 0.3910256 0.4774243 -0.0000000), wk = 0.0029674 k( 65) = ( 0.3846154 0.4885271 -0.0000000), wk = 0.0029674 k( 66) = ( 0.3782051 0.4996300 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3717949 0.5107329 -0.0000000), wk = 0.0029674 k( 68) = ( 0.3653846 0.5218358 -0.0000000), wk = 0.0029674 k( 69) = ( 0.3589744 0.5329387 -0.0000000), wk = 0.0029674 k( 70) = ( 0.3525641 0.5440416 -0.0000000), wk = 0.0029674 k( 71) = ( 0.3461538 0.5551445 -0.0000000), wk = 0.0029674 k( 72) = ( 0.3397436 0.5662474 -0.0000000), wk = 0.0029674 k( 73) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3267974 0.5660297 -0.0000000), wk = 0.0029674 k( 76) = ( 0.3202614 0.5547091 -0.0000000), wk = 0.0029674 k( 77) = ( 0.3137255 0.5433885 -0.0000000), wk = 0.0029674 k( 78) = ( 0.3071895 0.5320679 -0.0000000), wk = 0.0029674 k( 79) = ( 0.3006536 0.5207473 -0.0000000), wk = 0.0029674 k( 80) = ( 0.2941177 0.5094267 -0.0000000), wk = 0.0029674 k( 81) = ( 0.2875817 0.4981061 -0.0000000), wk = 0.0029674 k( 82) = ( 0.2810457 0.4867855 -0.0000000), wk = 0.0029674 k( 83) = ( 0.2745098 0.4754649 -0.0000000), wk = 0.0029674 k( 84) = ( 0.2679739 0.4641443 -0.0000000), wk = 0.0029674 k( 85) = ( 0.2614379 0.4528237 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2549020 0.4415031 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2483660 0.4301825 -0.0000000), wk = 0.0029674 k( 88) = ( 0.2418301 0.4188620 -0.0000000), wk = 0.0029674 k( 89) = ( 0.2352941 0.4075414 -0.0000000), wk = 0.0029674 k( 90) = ( 0.2287582 0.3962208 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0029674 k( 92) = ( 0.2156863 0.3735796 -0.0000000), wk = 0.0029674 k( 93) = ( 0.2091503 0.3622590 -0.0000000), wk = 0.0029674 k( 94) = ( 0.2026144 0.3509384 -0.0000000), wk = 0.0029674 k( 95) = ( 0.1960784 0.3396178 -0.0000000), wk = 0.0029674 k( 96) = ( 0.1895425 0.3282972 -0.0000000), wk = 0.0029674 k( 97) = ( 0.1830065 0.3169766 -0.0000000), wk = 0.0029674 k( 98) = ( 0.1764706 0.3056560 -0.0000000), wk = 0.0029674 k( 99) = ( 0.1699346 0.2943354 -0.0000000), wk = 0.0029674 k( 100) = ( 0.1633987 0.2830148 -0.0000000), wk = 0.0029674 k( 101) = ( 0.1568627 0.2716943 -0.0000000), wk = 0.0029674 k( 102) = ( 0.1503268 0.2603737 -0.0000000), wk = 0.0029674 k( 103) = ( 0.1437908 0.2490531 -0.0000000), wk = 0.0029674 k( 104) = ( 0.1372549 0.2377325 -0.0000000), wk = 0.0029674 k( 105) = ( 0.1307190 0.2264119 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1241830 0.2150913 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1176471 0.2037707 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0029674 k( 109) = ( 0.1045752 0.1811295 -0.0000000), wk = 0.0029674 k( 110) = ( 0.0980392 0.1698089 -0.0000000), wk = 0.0029674 k( 111) = ( 0.0915033 0.1584883 -0.0000000), wk = 0.0029674 k( 112) = ( 0.0849673 0.1471677 -0.0000000), wk = 0.0029674 k( 113) = ( 0.0784314 0.1358471 -0.0000000), wk = 0.0029674 k( 114) = ( 0.0718954 0.1245265 -0.0000000), wk = 0.0029674 k( 115) = ( 0.0653595 0.1132059 -0.0000000), wk = 0.0029674 k( 116) = ( 0.0588235 0.1018853 -0.0000000), wk = 0.0029674 k( 117) = ( 0.0522876 0.0905647 -0.0000000), wk = 0.0029674 k( 118) = ( 0.0457516 0.0792441 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0392157 0.0679236 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0326797 0.0566030 -0.0000000), wk = 0.0029674 k( 121) = ( 0.0261438 0.0452824 -0.0000000), wk = 0.0029674 k( 122) = ( 0.0196078 0.0339618 -0.0000000), wk = 0.0029674 k( 123) = ( 0.0130719 0.0226412 -0.0000000), wk = 0.0029674 k( 124) = ( 0.0065359 0.0113206 -0.0000000), wk = 0.0029674 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 127) = ( 0.0000000 0.0000000 0.0127198), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.0254396), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.0381595), wk = 0.0029674 k( 130) = ( 0.0000000 0.0000000 0.0508793), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.0635991), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.0763189), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.0890387), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.1017585), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.1144784), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.1271982), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.1399180), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.1526378), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.1653576), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.1780775), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.1907973), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.2035171), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.2162369), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.2289567), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.2416765), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.2543964), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.2671162), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.2798360), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.2925558), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.3052756), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.3179955), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.3307153), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.3434351), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.3561549), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.3561549), wk = 0.0029674 k( 156) = ( 0.0111111 0.0064150 0.3561549), wk = 0.0029674 k( 157) = ( 0.0222222 0.0128300 0.3561549), wk = 0.0029674 k( 158) = ( 0.0333333 0.0192450 0.3561549), wk = 0.0029674 k( 159) = ( 0.0444444 0.0256600 0.3561549), wk = 0.0029674 k( 160) = ( 0.0555556 0.0320750 0.3561549), wk = 0.0029674 k( 161) = ( 0.0666667 0.0384900 0.3561549), wk = 0.0029674 k( 162) = ( 0.0777778 0.0449050 0.3561549), wk = 0.0029674 k( 163) = ( 0.0888889 0.0513200 0.3561549), wk = 0.0029674 k( 164) = ( 0.1000000 0.0577350 0.3561549), wk = 0.0029674 k( 165) = ( 0.1111111 0.0641500 0.3561549), wk = 0.0029674 k( 166) = ( 0.1222222 0.0705650 0.3561549), wk = 0.0029674 k( 167) = ( 0.1333333 0.0769800 0.3561549), wk = 0.0029674 k( 168) = ( 0.1444444 0.0833950 0.3561549), wk = 0.0029674 k( 169) = ( 0.1555556 0.0898100 0.3561549), wk = 0.0029674 k( 170) = ( 0.1666667 0.0962250 0.3561549), wk = 0.0029674 k( 171) = ( 0.1777778 0.1026400 0.3561549), wk = 0.0029674 k( 172) = ( 0.1888889 0.1090551 0.3561549), wk = 0.0029674 k( 173) = ( 0.2000000 0.1154701 0.3561549), wk = 0.0029674 k( 174) = ( 0.2111111 0.1218851 0.3561549), wk = 0.0029674 k( 175) = ( 0.2222222 0.1283001 0.3561549), wk = 0.0029674 k( 176) = ( 0.2333333 0.1347151 0.3561549), wk = 0.0029674 k( 177) = ( 0.2444444 0.1411301 0.3561549), wk = 0.0029674 k( 178) = ( 0.2555556 0.1475451 0.3561549), wk = 0.0029674 k( 179) = ( 0.2666667 0.1539601 0.3561549), wk = 0.0029674 k( 180) = ( 0.2777778 0.1603751 0.3561549), wk = 0.0029674 k( 181) = ( 0.2888889 0.1667901 0.3561549), wk = 0.0029674 k( 182) = ( 0.3000000 0.1732051 0.3561549), wk = 0.0029674 k( 183) = ( 0.3111111 0.1796201 0.3561549), wk = 0.0029674 k( 184) = ( 0.3222222 0.1860351 0.3561549), wk = 0.0029674 k( 185) = ( 0.3333333 0.1924501 0.3561549), wk = 0.0029674 k( 186) = ( 0.3444444 0.1988651 0.3561549), wk = 0.0029674 k( 187) = ( 0.3555556 0.2052801 0.3561549), wk = 0.0029674 k( 188) = ( 0.3666667 0.2116951 0.3561549), wk = 0.0029674 k( 189) = ( 0.3777778 0.2181101 0.3561549), wk = 0.0029674 k( 190) = ( 0.3888889 0.2245251 0.3561549), wk = 0.0029674 k( 191) = ( 0.4000000 0.2309401 0.3561549), wk = 0.0029674 k( 192) = ( 0.4111111 0.2373551 0.3561549), wk = 0.0029674 k( 193) = ( 0.4222222 0.2437701 0.3561549), wk = 0.0029674 k( 194) = ( 0.4333333 0.2501851 0.3561549), wk = 0.0029674 k( 195) = ( 0.4444444 0.2566001 0.3561549), wk = 0.0029674 k( 196) = ( 0.4555556 0.2630151 0.3561549), wk = 0.0029674 k( 197) = ( 0.4666667 0.2694301 0.3561549), wk = 0.0029674 k( 198) = ( 0.4777778 0.2758451 0.3561549), wk = 0.0029674 k( 199) = ( 0.4888889 0.2822601 0.3561549), wk = 0.0029674 k( 200) = ( 0.5000000 0.2886751 0.3561549), wk = 0.0029674 k( 201) = ( 0.5000000 0.2886751 0.3561549), wk = 0.0029674 k( 202) = ( 0.4935897 0.2997780 0.3561549), wk = 0.0029674 k( 203) = ( 0.4871795 0.3108809 0.3561549), wk = 0.0029674 k( 204) = ( 0.4807692 0.3219838 0.3561549), wk = 0.0029674 k( 205) = ( 0.4743590 0.3330867 0.3561549), wk = 0.0029674 k( 206) = ( 0.4679487 0.3441896 0.3561549), wk = 0.0029674 k( 207) = ( 0.4615385 0.3552925 0.3561549), wk = 0.0029674 k( 208) = ( 0.4551282 0.3663954 0.3561549), wk = 0.0029674 k( 209) = ( 0.4487179 0.3774983 0.3561549), wk = 0.0029674 k( 210) = ( 0.4423077 0.3886011 0.3561549), wk = 0.0029674 k( 211) = ( 0.4358974 0.3997040 0.3561549), wk = 0.0029674 k( 212) = ( 0.4294872 0.4108069 0.3561549), wk = 0.0029674 k( 213) = ( 0.4230769 0.4219098 0.3561549), wk = 0.0029674 k( 214) = ( 0.4166667 0.4330127 0.3561549), wk = 0.0029674 k( 215) = ( 0.4102564 0.4441156 0.3561549), wk = 0.0029674 k( 216) = ( 0.4038462 0.4552185 0.3561549), wk = 0.0029674 k( 217) = ( 0.3974359 0.4663214 0.3561549), wk = 0.0029674 k( 218) = ( 0.3910256 0.4774243 0.3561549), wk = 0.0029674 k( 219) = ( 0.3846154 0.4885271 0.3561549), wk = 0.0029674 k( 220) = ( 0.3782051 0.4996300 0.3561549), wk = 0.0029674 k( 221) = ( 0.3717949 0.5107329 0.3561549), wk = 0.0029674 k( 222) = ( 0.3653846 0.5218358 0.3561549), wk = 0.0029674 k( 223) = ( 0.3589744 0.5329387 0.3561549), wk = 0.0029674 k( 224) = ( 0.3525641 0.5440416 0.3561549), wk = 0.0029674 k( 225) = ( 0.3461538 0.5551445 0.3561549), wk = 0.0029674 k( 226) = ( 0.3397436 0.5662474 0.3561549), wk = 0.0029674 k( 227) = ( 0.3333333 0.5773503 0.3561549), wk = 0.0029674 k( 228) = ( 0.3333333 0.5773503 0.3561549), wk = 0.0029674 k( 229) = ( 0.3267974 0.5660297 0.3561549), wk = 0.0029674 k( 230) = ( 0.3202614 0.5547091 0.3561549), wk = 0.0029674 k( 231) = ( 0.3137255 0.5433885 0.3561549), wk = 0.0029674 k( 232) = ( 0.3071895 0.5320679 0.3561549), wk = 0.0029674 k( 233) = ( 0.3006536 0.5207473 0.3561549), wk = 0.0029674 k( 234) = ( 0.2941177 0.5094267 0.3561549), wk = 0.0029674 k( 235) = ( 0.2875817 0.4981061 0.3561549), wk = 0.0029674 k( 236) = ( 0.2810457 0.4867855 0.3561549), wk = 0.0029674 k( 237) = ( 0.2745098 0.4754649 0.3561549), wk = 0.0029674 k( 238) = ( 0.2679739 0.4641443 0.3561549), wk = 0.0029674 k( 239) = ( 0.2614379 0.4528237 0.3561549), wk = 0.0029674 k( 240) = ( 0.2549020 0.4415031 0.3561549), wk = 0.0029674 k( 241) = ( 0.2483660 0.4301825 0.3561549), wk = 0.0029674 k( 242) = ( 0.2418301 0.4188620 0.3561549), wk = 0.0029674 k( 243) = ( 0.2352941 0.4075414 0.3561549), wk = 0.0029674 k( 244) = ( 0.2287582 0.3962208 0.3561549), wk = 0.0029674 k( 245) = ( 0.2222222 0.3849002 0.3561549), wk = 0.0029674 k( 246) = ( 0.2156863 0.3735796 0.3561549), wk = 0.0029674 k( 247) = ( 0.2091503 0.3622590 0.3561549), wk = 0.0029674 k( 248) = ( 0.2026144 0.3509384 0.3561549), wk = 0.0029674 k( 249) = ( 0.1960784 0.3396178 0.3561549), wk = 0.0029674 k( 250) = ( 0.1895425 0.3282972 0.3561549), wk = 0.0029674 k( 251) = ( 0.1830065 0.3169766 0.3561549), wk = 0.0029674 k( 252) = ( 0.1764706 0.3056560 0.3561549), wk = 0.0029674 k( 253) = ( 0.1699346 0.2943354 0.3561549), wk = 0.0029674 k( 254) = ( 0.1633987 0.2830148 0.3561549), wk = 0.0029674 k( 255) = ( 0.1568627 0.2716943 0.3561549), wk = 0.0029674 k( 256) = ( 0.1503268 0.2603737 0.3561549), wk = 0.0029674 k( 257) = ( 0.1437908 0.2490531 0.3561549), wk = 0.0029674 k( 258) = ( 0.1372549 0.2377325 0.3561549), wk = 0.0029674 k( 259) = ( 0.1307190 0.2264119 0.3561549), wk = 0.0029674 k( 260) = ( 0.1241830 0.2150913 0.3561549), wk = 0.0029674 k( 261) = ( 0.1176471 0.2037707 0.3561549), wk = 0.0029674 k( 262) = ( 0.1111111 0.1924501 0.3561549), wk = 0.0029674 k( 263) = ( 0.1045752 0.1811295 0.3561549), wk = 0.0029674 k( 264) = ( 0.0980392 0.1698089 0.3561549), wk = 0.0029674 k( 265) = ( 0.0915033 0.1584883 0.3561549), wk = 0.0029674 k( 266) = ( 0.0849673 0.1471677 0.3561549), wk = 0.0029674 k( 267) = ( 0.0784314 0.1358471 0.3561549), wk = 0.0029674 k( 268) = ( 0.0718954 0.1245265 0.3561549), wk = 0.0029674 k( 269) = ( 0.0653595 0.1132059 0.3561549), wk = 0.0029674 k( 270) = ( 0.0588235 0.1018853 0.3561549), wk = 0.0029674 k( 271) = ( 0.0522876 0.0905647 0.3561549), wk = 0.0029674 k( 272) = ( 0.0457516 0.0792441 0.3561549), wk = 0.0029674 k( 273) = ( 0.0392157 0.0679236 0.3561549), wk = 0.0029674 k( 274) = ( 0.0326797 0.0566030 0.3561549), wk = 0.0029674 k( 275) = ( 0.0261438 0.0452824 0.3561549), wk = 0.0029674 k( 276) = ( 0.0196078 0.0339618 0.3561549), wk = 0.0029674 k( 277) = ( 0.0130719 0.0226412 0.3561549), wk = 0.0029674 k( 278) = ( 0.0065359 0.0113206 0.3561549), wk = 0.0029674 k( 279) = ( 0.0000000 0.0000000 0.3561549), wk = 0.0029674 k( 280) = ( 0.5000000 0.2886751 0.3561549), wk = 0.0029674 k( 281) = ( 0.5000000 0.2886751 0.3434351), wk = 0.0029674 k( 282) = ( 0.5000000 0.2886751 0.3307153), wk = 0.0029674 k( 283) = ( 0.5000000 0.2886751 0.3179955), wk = 0.0029674 k( 284) = ( 0.5000000 0.2886751 0.3052756), wk = 0.0029674 k( 285) = ( 0.5000000 0.2886751 0.2925558), wk = 0.0029674 k( 286) = ( 0.5000000 0.2886751 0.2798360), wk = 0.0029674 k( 287) = ( 0.5000000 0.2886751 0.2671162), wk = 0.0029674 k( 288) = ( 0.5000000 0.2886751 0.2543964), wk = 0.0029674 k( 289) = ( 0.5000000 0.2886751 0.2416765), wk = 0.0029674 k( 290) = ( 0.5000000 0.2886751 0.2289567), wk = 0.0029674 k( 291) = ( 0.5000000 0.2886751 0.2162369), wk = 0.0029674 k( 292) = ( 0.5000000 0.2886751 0.2035171), wk = 0.0029674 k( 293) = ( 0.5000000 0.2886751 0.1907973), wk = 0.0029674 k( 294) = ( 0.5000000 0.2886751 0.1780775), wk = 0.0029674 k( 295) = ( 0.5000000 0.2886751 0.1653576), wk = 0.0029674 k( 296) = ( 0.5000000 0.2886751 0.1526378), wk = 0.0029674 k( 297) = ( 0.5000000 0.2886751 0.1399180), wk = 0.0029674 k( 298) = ( 0.5000000 0.2886751 0.1271982), wk = 0.0029674 k( 299) = ( 0.5000000 0.2886751 0.1144784), wk = 0.0029674 k( 300) = ( 0.5000000 0.2886751 0.1017585), wk = 0.0029674 k( 301) = ( 0.5000000 0.2886751 0.0890387), wk = 0.0029674 k( 302) = ( 0.5000000 0.2886751 0.0763189), wk = 0.0029674 k( 303) = ( 0.5000000 0.2886751 0.0635991), wk = 0.0029674 k( 304) = ( 0.5000000 0.2886751 0.0508793), wk = 0.0029674 k( 305) = ( 0.5000000 0.2886751 0.0381595), wk = 0.0029674 k( 306) = ( 0.5000000 0.2886751 0.0254396), wk = 0.0029674 k( 307) = ( 0.5000000 0.2886751 0.0127198), wk = 0.0029674 k( 308) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0029674 k( 309) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0029674 k( 310) = ( 0.3333333 0.5773503 0.0127198), wk = 0.0029674 k( 311) = ( 0.3333333 0.5773503 0.0254396), wk = 0.0029674 k( 312) = ( 0.3333333 0.5773503 0.0381595), wk = 0.0029674 k( 313) = ( 0.3333333 0.5773503 0.0508793), wk = 0.0029674 k( 314) = ( 0.3333333 0.5773503 0.0635991), wk = 0.0029674 k( 315) = ( 0.3333333 0.5773503 0.0763189), wk = 0.0029674 k( 316) = ( 0.3333333 0.5773503 0.0890387), wk = 0.0029674 k( 317) = ( 0.3333333 0.5773503 0.1017585), wk = 0.0029674 k( 318) = ( 0.3333333 0.5773503 0.1144784), wk = 0.0029674 k( 319) = ( 0.3333333 0.5773503 0.1271982), wk = 0.0029674 k( 320) = ( 0.3333333 0.5773503 0.1399180), wk = 0.0029674 k( 321) = ( 0.3333333 0.5773503 0.1526378), wk = 0.0029674 k( 322) = ( 0.3333333 0.5773503 0.1653576), wk = 0.0029674 k( 323) = ( 0.3333333 0.5773503 0.1780775), wk = 0.0029674 k( 324) = ( 0.3333333 0.5773503 0.1907973), wk = 0.0029674 k( 325) = ( 0.3333333 0.5773503 0.2035171), wk = 0.0029674 k( 326) = ( 0.3333333 0.5773503 0.2162369), wk = 0.0029674 k( 327) = ( 0.3333333 0.5773503 0.2289567), wk = 0.0029674 k( 328) = ( 0.3333333 0.5773503 0.2416765), wk = 0.0029674 k( 329) = ( 0.3333333 0.5773503 0.2543964), wk = 0.0029674 k( 330) = ( 0.3333333 0.5773503 0.2671162), wk = 0.0029674 k( 331) = ( 0.3333333 0.5773503 0.2798360), wk = 0.0029674 k( 332) = ( 0.3333333 0.5773503 0.2925558), wk = 0.0029674 k( 333) = ( 0.3333333 0.5773503 0.3052756), wk = 0.0029674 k( 334) = ( 0.3333333 0.5773503 0.3179955), wk = 0.0029674 k( 335) = ( 0.3333333 0.5773503 0.3307153), wk = 0.0029674 k( 336) = ( 0.3333333 0.5773503 0.3434351), wk = 0.0029674 k( 337) = ( 0.3333333 0.5773503 0.3561549), wk = 0.0029674 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0029674 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0029674 k( 4) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0029674 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0029674 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0029674 k( 7) = ( 0.0666667 -0.0000000 0.0000000), wk = 0.0029674 k( 8) = ( 0.0777778 -0.0000000 0.0000000), wk = 0.0029674 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0029674 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0029674 k( 11) = ( 0.1111111 -0.0000000 0.0000000), wk = 0.0029674 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0029674 k( 13) = ( 0.1333333 -0.0000000 0.0000000), wk = 0.0029674 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0029674 k( 15) = ( 0.1555556 -0.0000000 0.0000000), wk = 0.0029674 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0029674 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0029674 k( 18) = ( 0.1888889 -0.0000000 0.0000000), wk = 0.0029674 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0029674 k( 20) = ( 0.2111111 -0.0000000 0.0000000), wk = 0.0029674 k( 21) = ( 0.2222222 -0.0000000 0.0000000), wk = 0.0029674 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0029674 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0029674 k( 24) = ( 0.2555556 -0.0000000 0.0000000), wk = 0.0029674 k( 25) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0029674 k( 26) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0029674 k( 27) = ( 0.2888889 -0.0000000 0.0000000), wk = 0.0029674 k( 28) = ( 0.3000000 -0.0000000 0.0000000), wk = 0.0029674 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0029674 k( 30) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0029674 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0029674 k( 32) = ( 0.3444444 -0.0000000 0.0000000), wk = 0.0029674 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0029674 k( 34) = ( 0.3666667 -0.0000000 0.0000000), wk = 0.0029674 k( 35) = ( 0.3777778 -0.0000000 0.0000000), wk = 0.0029674 k( 36) = ( 0.3888889 -0.0000000 0.0000000), wk = 0.0029674 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0029674 k( 38) = ( 0.4111111 -0.0000000 0.0000000), wk = 0.0029674 k( 39) = ( 0.4222222 -0.0000000 0.0000000), wk = 0.0029674 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0029674 k( 41) = ( 0.4444444 -0.0000000 0.0000000), wk = 0.0029674 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0029674 k( 43) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0029674 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0029674 k( 45) = ( 0.4888889 -0.0000000 0.0000000), wk = 0.0029674 k( 46) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029674 k( 47) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029674 k( 48) = ( 0.4935897 0.0128205 0.0000000), wk = 0.0029674 k( 49) = ( 0.4871795 0.0256410 0.0000000), wk = 0.0029674 k( 50) = ( 0.4807692 0.0384615 0.0000000), wk = 0.0029674 k( 51) = ( 0.4743590 0.0512820 0.0000000), wk = 0.0029674 k( 52) = ( 0.4679487 0.0641026 0.0000000), wk = 0.0029674 k( 53) = ( 0.4615385 0.0769231 0.0000000), wk = 0.0029674 k( 54) = ( 0.4551282 0.0897436 0.0000000), wk = 0.0029674 k( 55) = ( 0.4487179 0.1025641 -0.0000000), wk = 0.0029674 k( 56) = ( 0.4423077 0.1153846 0.0000000), wk = 0.0029674 k( 57) = ( 0.4358974 0.1282051 0.0000000), wk = 0.0029674 k( 58) = ( 0.4294872 0.1410256 0.0000000), wk = 0.0029674 k( 59) = ( 0.4230769 0.1538461 0.0000000), wk = 0.0029674 k( 60) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0029674 k( 61) = ( 0.4102564 0.1794872 0.0000000), wk = 0.0029674 k( 62) = ( 0.4038462 0.1923077 -0.0000000), wk = 0.0029674 k( 63) = ( 0.3974359 0.2051282 -0.0000000), wk = 0.0029674 k( 64) = ( 0.3910256 0.2179487 0.0000000), wk = 0.0029674 k( 65) = ( 0.3846154 0.2307692 0.0000000), wk = 0.0029674 k( 66) = ( 0.3782051 0.2435897 -0.0000000), wk = 0.0029674 k( 67) = ( 0.3717949 0.2564103 0.0000000), wk = 0.0029674 k( 68) = ( 0.3653846 0.2692308 -0.0000000), wk = 0.0029674 k( 69) = ( 0.3589744 0.2820513 0.0000000), wk = 0.0029674 k( 70) = ( 0.3525641 0.2948718 0.0000000), wk = 0.0029674 k( 71) = ( 0.3461538 0.3076923 0.0000000), wk = 0.0029674 k( 72) = ( 0.3397436 0.3205128 0.0000000), wk = 0.0029674 k( 73) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 74) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 75) = ( 0.3267974 0.3267974 0.0000000), wk = 0.0029674 k( 76) = ( 0.3202614 0.3202614 0.0000000), wk = 0.0029674 k( 77) = ( 0.3137255 0.3137255 0.0000000), wk = 0.0029674 k( 78) = ( 0.3071895 0.3071895 -0.0000000), wk = 0.0029674 k( 79) = ( 0.3006536 0.3006536 -0.0000000), wk = 0.0029674 k( 80) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0029674 k( 81) = ( 0.2875817 0.2875817 0.0000000), wk = 0.0029674 k( 82) = ( 0.2810457 0.2810457 0.0000000), wk = 0.0029674 k( 83) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0029674 k( 84) = ( 0.2679739 0.2679739 -0.0000000), wk = 0.0029674 k( 85) = ( 0.2614379 0.2614379 -0.0000000), wk = 0.0029674 k( 86) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0029674 k( 87) = ( 0.2483660 0.2483660 0.0000000), wk = 0.0029674 k( 88) = ( 0.2418301 0.2418301 0.0000000), wk = 0.0029674 k( 89) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0029674 k( 90) = ( 0.2287582 0.2287582 -0.0000000), wk = 0.0029674 k( 91) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029674 k( 92) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0029674 k( 93) = ( 0.2091503 0.2091503 0.0000000), wk = 0.0029674 k( 94) = ( 0.2026144 0.2026144 -0.0000000), wk = 0.0029674 k( 95) = ( 0.1960784 0.1960784 0.0000000), wk = 0.0029674 k( 96) = ( 0.1895425 0.1895425 0.0000000), wk = 0.0029674 k( 97) = ( 0.1830065 0.1830065 -0.0000000), wk = 0.0029674 k( 98) = ( 0.1764706 0.1764706 0.0000000), wk = 0.0029674 k( 99) = ( 0.1699346 0.1699346 0.0000000), wk = 0.0029674 k( 100) = ( 0.1633987 0.1633987 0.0000000), wk = 0.0029674 k( 101) = ( 0.1568627 0.1568627 0.0000000), wk = 0.0029674 k( 102) = ( 0.1503268 0.1503268 0.0000000), wk = 0.0029674 k( 103) = ( 0.1437908 0.1437908 0.0000000), wk = 0.0029674 k( 104) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0029674 k( 105) = ( 0.1307190 0.1307189 -0.0000000), wk = 0.0029674 k( 106) = ( 0.1241830 0.1241830 -0.0000000), wk = 0.0029674 k( 107) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0029674 k( 108) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029674 k( 109) = ( 0.1045752 0.1045752 0.0000000), wk = 0.0029674 k( 110) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0029674 k( 111) = ( 0.0915033 0.0915033 -0.0000000), wk = 0.0029674 k( 112) = ( 0.0849673 0.0849673 0.0000000), wk = 0.0029674 k( 113) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0029674 k( 114) = ( 0.0718954 0.0718954 0.0000000), wk = 0.0029674 k( 115) = ( 0.0653595 0.0653595 0.0000000), wk = 0.0029674 k( 116) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0029674 k( 117) = ( 0.0522876 0.0522876 0.0000000), wk = 0.0029674 k( 118) = ( 0.0457516 0.0457516 -0.0000000), wk = 0.0029674 k( 119) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0029674 k( 120) = ( 0.0326797 0.0326797 0.0000000), wk = 0.0029674 k( 121) = ( 0.0261438 0.0261438 0.0000000), wk = 0.0029674 k( 122) = ( 0.0196078 0.0196078 0.0000000), wk = 0.0029674 k( 123) = ( 0.0130719 0.0130719 -0.0000000), wk = 0.0029674 k( 124) = ( 0.0065359 0.0065359 -0.0000000), wk = 0.0029674 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029674 k( 127) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0029674 k( 128) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0029674 k( 129) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0029674 k( 130) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0029674 k( 131) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0029674 k( 132) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0029674 k( 133) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0029674 k( 134) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0029674 k( 135) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0029674 k( 136) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0029674 k( 137) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0029674 k( 138) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0029674 k( 139) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0029674 k( 140) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0029674 k( 141) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0029674 k( 142) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0029674 k( 143) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0029674 k( 144) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0029674 k( 145) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0029674 k( 146) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0029674 k( 147) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0029674 k( 148) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0029674 k( 149) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0029674 k( 150) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0029674 k( 151) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0029674 k( 152) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0029674 k( 153) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0029674 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 156) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0029674 k( 157) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0029674 k( 158) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0029674 k( 159) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0029674 k( 160) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0029674 k( 161) = ( 0.0666667 -0.0000000 0.5000000), wk = 0.0029674 k( 162) = ( 0.0777778 -0.0000000 0.5000000), wk = 0.0029674 k( 163) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0029674 k( 164) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0029674 k( 165) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0029674 k( 166) = ( 0.1222222 -0.0000000 0.5000000), wk = 0.0029674 k( 167) = ( 0.1333333 -0.0000000 0.5000000), wk = 0.0029674 k( 168) = ( 0.1444444 -0.0000000 0.5000000), wk = 0.0029674 k( 169) = ( 0.1555556 -0.0000000 0.5000000), wk = 0.0029674 k( 170) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0029674 k( 171) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0029674 k( 172) = ( 0.1888889 -0.0000000 0.5000000), wk = 0.0029674 k( 173) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0029674 k( 174) = ( 0.2111111 -0.0000000 0.5000000), wk = 0.0029674 k( 175) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0029674 k( 176) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0029674 k( 177) = ( 0.2444444 -0.0000000 0.5000000), wk = 0.0029674 k( 178) = ( 0.2555556 -0.0000000 0.5000000), wk = 0.0029674 k( 179) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0029674 k( 180) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0029674 k( 181) = ( 0.2888889 -0.0000000 0.5000000), wk = 0.0029674 k( 182) = ( 0.3000000 -0.0000000 0.5000000), wk = 0.0029674 k( 183) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0029674 k( 184) = ( 0.3222222 -0.0000000 0.5000000), wk = 0.0029674 k( 185) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0029674 k( 186) = ( 0.3444444 -0.0000000 0.5000000), wk = 0.0029674 k( 187) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0029674 k( 188) = ( 0.3666667 -0.0000000 0.5000000), wk = 0.0029674 k( 189) = ( 0.3777778 -0.0000000 0.5000000), wk = 0.0029674 k( 190) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0029674 k( 191) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0029674 k( 192) = ( 0.4111111 -0.0000000 0.5000000), wk = 0.0029674 k( 193) = ( 0.4222222 -0.0000000 0.5000000), wk = 0.0029674 k( 194) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0029674 k( 195) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0029674 k( 196) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0029674 k( 197) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0029674 k( 198) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0029674 k( 199) = ( 0.4888889 -0.0000000 0.5000000), wk = 0.0029674 k( 200) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029674 k( 201) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029674 k( 202) = ( 0.4935897 0.0128205 0.5000000), wk = 0.0029674 k( 203) = ( 0.4871795 0.0256410 0.5000000), wk = 0.0029674 k( 204) = ( 0.4807692 0.0384615 0.5000000), wk = 0.0029674 k( 205) = ( 0.4743590 0.0512820 0.5000000), wk = 0.0029674 k( 206) = ( 0.4679487 0.0641026 0.5000000), wk = 0.0029674 k( 207) = ( 0.4615385 0.0769231 0.5000000), wk = 0.0029674 k( 208) = ( 0.4551282 0.0897436 0.5000000), wk = 0.0029674 k( 209) = ( 0.4487179 0.1025641 0.5000000), wk = 0.0029674 k( 210) = ( 0.4423077 0.1153846 0.5000000), wk = 0.0029674 k( 211) = ( 0.4358974 0.1282051 0.5000000), wk = 0.0029674 k( 212) = ( 0.4294872 0.1410256 0.5000000), wk = 0.0029674 k( 213) = ( 0.4230769 0.1538461 0.5000000), wk = 0.0029674 k( 214) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0029674 k( 215) = ( 0.4102564 0.1794872 0.5000000), wk = 0.0029674 k( 216) = ( 0.4038462 0.1923077 0.5000000), wk = 0.0029674 k( 217) = ( 0.3974359 0.2051282 0.5000000), wk = 0.0029674 k( 218) = ( 0.3910256 0.2179487 0.5000000), wk = 0.0029674 k( 219) = ( 0.3846154 0.2307692 0.5000000), wk = 0.0029674 k( 220) = ( 0.3782051 0.2435897 0.5000000), wk = 0.0029674 k( 221) = ( 0.3717949 0.2564103 0.5000000), wk = 0.0029674 k( 222) = ( 0.3653846 0.2692308 0.5000000), wk = 0.0029674 k( 223) = ( 0.3589744 0.2820513 0.5000000), wk = 0.0029674 k( 224) = ( 0.3525641 0.2948718 0.5000000), wk = 0.0029674 k( 225) = ( 0.3461538 0.3076923 0.5000000), wk = 0.0029674 k( 226) = ( 0.3397436 0.3205128 0.5000000), wk = 0.0029674 k( 227) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 228) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 k( 229) = ( 0.3267974 0.3267974 0.5000000), wk = 0.0029674 k( 230) = ( 0.3202614 0.3202614 0.5000000), wk = 0.0029674 k( 231) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0029674 k( 232) = ( 0.3071895 0.3071895 0.5000000), wk = 0.0029674 k( 233) = ( 0.3006536 0.3006536 0.5000000), wk = 0.0029674 k( 234) = ( 0.2941177 0.2941176 0.5000000), wk = 0.0029674 k( 235) = ( 0.2875817 0.2875817 0.5000000), wk = 0.0029674 k( 236) = ( 0.2810457 0.2810457 0.5000000), wk = 0.0029674 k( 237) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0029674 k( 238) = ( 0.2679739 0.2679739 0.5000000), wk = 0.0029674 k( 239) = ( 0.2614379 0.2614379 0.5000000), wk = 0.0029674 k( 240) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0029674 k( 241) = ( 0.2483660 0.2483660 0.5000000), wk = 0.0029674 k( 242) = ( 0.2418301 0.2418301 0.5000000), wk = 0.0029674 k( 243) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0029674 k( 244) = ( 0.2287582 0.2287582 0.5000000), wk = 0.0029674 k( 245) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0029674 k( 246) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0029674 k( 247) = ( 0.2091503 0.2091503 0.5000000), wk = 0.0029674 k( 248) = ( 0.2026144 0.2026144 0.5000000), wk = 0.0029674 k( 249) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0029674 k( 250) = ( 0.1895425 0.1895425 0.5000000), wk = 0.0029674 k( 251) = ( 0.1830065 0.1830065 0.5000000), wk = 0.0029674 k( 252) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0029674 k( 253) = ( 0.1699346 0.1699346 0.5000000), wk = 0.0029674 k( 254) = ( 0.1633987 0.1633987 0.5000000), wk = 0.0029674 k( 255) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0029674 k( 256) = ( 0.1503268 0.1503268 0.5000000), wk = 0.0029674 k( 257) = ( 0.1437908 0.1437908 0.5000000), wk = 0.0029674 k( 258) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0029674 k( 259) = ( 0.1307190 0.1307189 0.5000000), wk = 0.0029674 k( 260) = ( 0.1241830 0.1241830 0.5000000), wk = 0.0029674 k( 261) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0029674 k( 262) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0029674 k( 263) = ( 0.1045752 0.1045752 0.5000000), wk = 0.0029674 k( 264) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0029674 k( 265) = ( 0.0915033 0.0915033 0.5000000), wk = 0.0029674 k( 266) = ( 0.0849673 0.0849673 0.5000000), wk = 0.0029674 k( 267) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0029674 k( 268) = ( 0.0718954 0.0718954 0.5000000), wk = 0.0029674 k( 269) = ( 0.0653595 0.0653595 0.5000000), wk = 0.0029674 k( 270) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0029674 k( 271) = ( 0.0522876 0.0522876 0.5000000), wk = 0.0029674 k( 272) = ( 0.0457516 0.0457516 0.5000000), wk = 0.0029674 k( 273) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0029674 k( 274) = ( 0.0326797 0.0326797 0.5000000), wk = 0.0029674 k( 275) = ( 0.0261438 0.0261438 0.5000000), wk = 0.0029674 k( 276) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0029674 k( 277) = ( 0.0130719 0.0130719 0.5000000), wk = 0.0029674 k( 278) = ( 0.0065359 0.0065359 0.5000000), wk = 0.0029674 k( 279) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029674 k( 280) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0029674 k( 281) = ( 0.5000000 -0.0000000 0.4821429), wk = 0.0029674 k( 282) = ( 0.5000000 -0.0000000 0.4642857), wk = 0.0029674 k( 283) = ( 0.5000000 -0.0000000 0.4464286), wk = 0.0029674 k( 284) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0029674 k( 285) = ( 0.5000000 -0.0000000 0.4107143), wk = 0.0029674 k( 286) = ( 0.5000000 -0.0000000 0.3928571), wk = 0.0029674 k( 287) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0029674 k( 288) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0029674 k( 289) = ( 0.5000000 -0.0000000 0.3392857), wk = 0.0029674 k( 290) = ( 0.5000000 -0.0000000 0.3214286), wk = 0.0029674 k( 291) = ( 0.5000000 -0.0000000 0.3035714), wk = 0.0029674 k( 292) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0029674 k( 293) = ( 0.5000000 -0.0000000 0.2678571), wk = 0.0029674 k( 294) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0029674 k( 295) = ( 0.5000000 -0.0000000 0.2321429), wk = 0.0029674 k( 296) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0029674 k( 297) = ( 0.5000000 -0.0000000 0.1964286), wk = 0.0029674 k( 298) = ( 0.5000000 -0.0000000 0.1785714), wk = 0.0029674 k( 299) = ( 0.5000000 -0.0000000 0.1607143), wk = 0.0029674 k( 300) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0029674 k( 301) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0029674 k( 302) = ( 0.5000000 -0.0000000 0.1071429), wk = 0.0029674 k( 303) = ( 0.5000000 -0.0000000 0.0892857), wk = 0.0029674 k( 304) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0029674 k( 305) = ( 0.5000000 -0.0000000 0.0535714), wk = 0.0029674 k( 306) = ( 0.5000000 -0.0000000 0.0357143), wk = 0.0029674 k( 307) = ( 0.5000000 -0.0000000 0.0178571), wk = 0.0029674 k( 308) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0029674 k( 309) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029674 k( 310) = ( 0.3333333 0.3333333 0.0178571), wk = 0.0029674 k( 311) = ( 0.3333333 0.3333333 0.0357143), wk = 0.0029674 k( 312) = ( 0.3333333 0.3333333 0.0535714), wk = 0.0029674 k( 313) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0029674 k( 314) = ( 0.3333333 0.3333333 0.0892857), wk = 0.0029674 k( 315) = ( 0.3333333 0.3333333 0.1071429), wk = 0.0029674 k( 316) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0029674 k( 317) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0029674 k( 318) = ( 0.3333333 0.3333333 0.1607143), wk = 0.0029674 k( 319) = ( 0.3333333 0.3333333 0.1785714), wk = 0.0029674 k( 320) = ( 0.3333333 0.3333333 0.1964286), wk = 0.0029674 k( 321) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0029674 k( 322) = ( 0.3333333 0.3333333 0.2321429), wk = 0.0029674 k( 323) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0029674 k( 324) = ( 0.3333333 0.3333333 0.2678571), wk = 0.0029674 k( 325) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0029674 k( 326) = ( 0.3333333 0.3333333 0.3035714), wk = 0.0029674 k( 327) = ( 0.3333333 0.3333333 0.3214286), wk = 0.0029674 k( 328) = ( 0.3333333 0.3333333 0.3392857), wk = 0.0029674 k( 329) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0029674 k( 330) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0029674 k( 331) = ( 0.3333333 0.3333333 0.3928571), wk = 0.0029674 k( 332) = ( 0.3333333 0.3333333 0.4107143), wk = 0.0029674 k( 333) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0029674 k( 334) = ( 0.3333333 0.3333333 0.4464286), wk = 0.0029674 k( 335) = ( 0.3333333 0.3333333 0.4642857), wk = 0.0029674 k( 336) = ( 0.3333333 0.3333333 0.4821429), wk = 0.0029674 k( 337) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0029674 Dense grid: 55467 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 400, 48) NL pseudopotentials 0.42 Mb ( 200, 136) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1542) G-vector shells 0.01 Mb ( 747) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 400, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) The potential is recalculated from file : ./MnSb.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 1.7 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 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.7 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.8 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 6.0 secs Computing kpt #: 10 total cpu time spent up to now is 6.6 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.7 secs Computing kpt #: 13 total cpu time spent up to now is 8.2 secs Computing kpt #: 14 total cpu time spent up to now is 8.9 secs Computing kpt #: 15 total cpu time spent up to now is 9.4 secs Computing kpt #: 16 total cpu time spent up to now is 9.8 secs Computing kpt #: 17 total cpu time spent up to now is 10.3 secs Computing kpt #: 18 total cpu time spent up to now is 10.7 secs Computing kpt #: 19 total cpu time spent up to now is 11.2 secs Computing kpt #: 20 total cpu time spent up to now is 11.6 secs Computing kpt #: 21 total cpu time spent up to now is 12.1 secs Computing kpt #: 22 total cpu time spent up to now is 12.5 secs Computing kpt #: 23 total cpu time spent up to now is 12.9 secs Computing kpt #: 24 total cpu time spent up to now is 13.4 secs Computing kpt #: 25 total cpu time spent up to now is 13.8 secs Computing kpt #: 26 total cpu time spent up to now is 14.2 secs Computing kpt #: 27 total cpu time spent up to now is 14.7 secs Computing kpt #: 28 total cpu time spent up to now is 15.1 secs Computing kpt #: 29 total cpu time spent up to now is 15.6 secs Computing kpt #: 30 total cpu time spent up to now is 16.0 secs Computing kpt #: 31 total cpu time spent up to now is 16.4 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.3 secs Computing kpt #: 34 total cpu time spent up to now is 17.8 secs Computing kpt #: 35 total cpu time spent up to now is 18.2 secs Computing kpt #: 36 total cpu time spent up to now is 18.6 secs Computing kpt #: 37 total cpu time spent up to now is 19.1 secs Computing kpt #: 38 total cpu time spent up to now is 19.5 secs Computing kpt #: 39 total cpu time spent up to now is 19.9 secs Computing kpt #: 40 total cpu time spent up to now is 20.3 secs Computing kpt #: 41 total cpu time spent up to now is 20.8 secs Computing kpt #: 42 total cpu time spent up to now is 21.2 secs Computing kpt #: 43 total cpu time spent up to now is 21.6 secs Computing kpt #: 44 total cpu time spent up to now is 22.1 secs Computing kpt #: 45 total cpu time spent up to now is 22.5 secs Computing kpt #: 46 total cpu time spent up to now is 22.9 secs Computing kpt #: 47 total cpu time spent up to now is 23.3 secs Computing kpt #: 48 total cpu time spent up to now is 23.8 secs Computing kpt #: 49 total cpu time spent up to now is 24.2 secs Computing kpt #: 50 total cpu time spent up to now is 24.6 secs Computing kpt #: 51 total cpu time spent up to now is 25.0 secs Computing kpt #: 52 total cpu time spent up to now is 25.5 secs Computing kpt #: 53 total cpu time spent up to now is 25.9 secs Computing kpt #: 54 total cpu time spent up to now is 26.4 secs Computing kpt #: 55 total cpu time spent up to now is 26.8 secs Computing kpt #: 56 total cpu time spent up to now is 27.2 secs Computing kpt #: 57 total cpu time spent up to now is 27.7 secs Computing kpt #: 58 total cpu time spent up to now is 28.1 secs Computing kpt #: 59 total cpu time spent up to now is 28.6 secs Computing kpt #: 60 total cpu time spent up to now is 29.0 secs Computing kpt #: 61 total cpu time spent up to now is 29.5 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 secs Computing kpt #: 64 total cpu time spent up to now is 30.9 secs Computing kpt #: 65 total cpu time spent up to now is 31.4 secs Computing kpt #: 66 total cpu time spent up to now is 31.9 secs Computing kpt #: 67 total cpu time spent up to now is 32.7 secs Computing kpt #: 68 total cpu time spent up to now is 33.4 secs Computing kpt #: 69 total cpu time spent up to now is 34.1 secs Computing kpt #: 70 total cpu time spent up to now is 34.6 secs Computing kpt #: 71 total cpu time spent up to now is 35.1 secs Computing kpt #: 72 total cpu time spent up to now is 35.6 secs Computing kpt #: 73 total cpu time spent up to now is 36.0 secs Computing kpt #: 74 total cpu time spent up to now is 36.5 secs Computing kpt #: 75 total cpu time spent up to now is 37.0 secs Computing kpt #: 76 total cpu time spent up to now is 37.5 secs Computing kpt #: 77 total cpu time spent up to now is 38.0 secs Computing kpt #: 78 total cpu time spent up to now is 38.5 secs Computing kpt #: 79 total cpu time spent up to now is 39.1 secs Computing kpt #: 80 total cpu time spent up to now is 39.8 secs Computing kpt #: 81 total cpu time spent up to now is 40.5 secs Computing kpt #: 82 total cpu time spent up to now is 41.1 secs Computing kpt #: 83 total cpu time spent up to now is 41.6 secs Computing kpt #: 84 total cpu time spent up to now is 42.2 secs Computing kpt #: 85 total cpu time spent up to now is 42.7 secs Computing kpt #: 86 total cpu time spent up to now is 43.2 secs Computing kpt #: 87 total cpu time spent up to now is 43.7 secs Computing kpt #: 88 total cpu time spent up to now is 44.2 secs Computing kpt #: 89 total cpu time spent up to now is 44.7 secs Computing kpt #: 90 total cpu time spent up to now is 45.2 secs Computing kpt #: 91 total cpu time spent up to now is 45.7 secs Computing kpt #: 92 total cpu time spent up to now is 46.2 secs Computing kpt #: 93 total cpu time spent up to now is 46.7 secs Computing kpt #: 94 total cpu time spent up to now is 47.2 secs Computing kpt #: 95 total cpu time spent up to now is 47.7 secs Computing kpt #: 96 total cpu time spent up to now is 48.2 secs Computing kpt #: 97 total cpu time spent up to now is 48.6 secs Computing kpt #: 98 total cpu time spent up to now is 49.2 secs Computing kpt #: 99 total cpu time spent up to now is 49.7 secs Computing kpt #: 100 total cpu time spent up to now is 50.2 secs Computing kpt #: 101 total cpu time spent up to now is 50.7 secs Computing kpt #: 102 total cpu time spent up to now is 51.3 secs Computing kpt #: 103 total cpu time spent up to now is 51.8 secs Computing kpt #: 104 total cpu time spent up to now is 52.4 secs Computing kpt #: 105 total cpu time spent up to now is 52.8 secs Computing kpt #: 106 total cpu time spent up to now is 53.4 secs Computing kpt #: 107 total cpu time spent up to now is 54.0 secs Computing kpt #: 108 total cpu time spent up to now is 54.5 secs Computing kpt #: 109 total cpu time spent up to now is 55.1 secs Computing kpt #: 110 total cpu time spent up to now is 55.6 secs Computing kpt #: 111 total cpu time spent up to now is 56.2 secs Computing kpt #: 112 total cpu time spent up to now is 56.7 secs Computing kpt #: 113 total cpu time spent up to now is 57.3 secs Computing kpt #: 114 total cpu time spent up to now is 57.9 secs Computing kpt #: 115 total cpu time spent up to now is 58.4 secs Computing kpt #: 116 total cpu time spent up to now is 59.0 secs Computing kpt #: 117 total cpu time spent up to now is 59.6 secs Computing kpt #: 118 total cpu time spent up to now is 60.2 secs Computing kpt #: 119 total cpu time spent up to now is 60.7 secs Computing kpt #: 120 total cpu time spent up to now is 61.3 secs Computing kpt #: 121 total cpu time spent up to now is 61.9 secs Computing kpt #: 122 total cpu time spent up to now is 62.4 secs Computing kpt #: 123 total cpu time spent up to now is 62.9 secs Computing kpt #: 124 total cpu time spent up to now is 63.3 secs Computing kpt #: 125 total cpu time spent up to now is 63.8 secs Computing kpt #: 126 total cpu time spent up to now is 64.2 secs Computing kpt #: 127 total cpu time spent up to now is 64.6 secs Computing kpt #: 128 total cpu time spent up to now is 65.0 secs Computing kpt #: 129 total cpu time spent up to now is 65.5 secs Computing kpt #: 130 total cpu time spent up to now is 65.9 secs Computing kpt #: 131 total cpu time spent up to now is 66.3 secs Computing kpt #: 132 total cpu time spent up to now is 66.7 secs Computing kpt #: 133 total cpu time spent up to now is 67.2 secs Computing kpt #: 134 total cpu time spent up to now is 67.6 secs Computing kpt #: 135 total cpu time spent up to now is 68.0 secs Computing kpt #: 136 total cpu time spent up to now is 68.4 secs Computing kpt #: 137 total cpu time spent up to now is 68.8 secs Computing kpt #: 138 total cpu time spent up to now is 69.3 secs Computing kpt #: 139 total cpu time spent up to now is 69.7 secs Computing kpt #: 140 total cpu time spent up to now is 70.1 secs Computing kpt #: 141 total cpu time spent up to now is 70.5 secs Computing kpt #: 142 total cpu time spent up to now is 70.9 secs Computing kpt #: 143 total cpu time spent up to now is 71.3 secs Computing kpt #: 144 total cpu time spent up to now is 71.7 secs Computing kpt #: 145 total cpu time spent up to now is 72.1 secs Computing kpt #: 146 total cpu time spent up to now is 72.5 secs Computing kpt #: 147 total cpu time spent up to now is 72.9 secs Computing kpt #: 148 total cpu time spent up to now is 73.3 secs Computing kpt #: 149 total cpu time spent up to now is 73.8 secs Computing kpt #: 150 total cpu time spent up to now is 74.3 secs Computing kpt #: 151 total cpu time spent up to now is 74.9 secs Computing kpt #: 152 total cpu time spent up to now is 75.4 secs Computing kpt #: 153 total cpu time spent up to now is 75.8 secs Computing kpt #: 154 total cpu time spent up to now is 76.3 secs Computing kpt #: 155 total cpu time spent up to now is 76.7 secs Computing kpt #: 156 total cpu time spent up to now is 77.2 secs Computing kpt #: 157 total cpu time spent up to now is 77.6 secs Computing kpt #: 158 total cpu time spent up to now is 78.1 secs Computing kpt #: 159 total cpu time spent up to now is 78.5 secs Computing kpt #: 160 total cpu time spent up to now is 79.0 secs Computing kpt #: 161 total cpu time spent up to now is 79.5 secs Computing kpt #: 162 total cpu time spent up to now is 79.9 secs Computing kpt #: 163 total cpu time spent up to now is 80.4 secs Computing kpt #: 164 total cpu time spent up to now is 80.9 secs Computing kpt #: 165 total cpu time spent up to now is 81.3 secs Computing kpt #: 166 total cpu time spent up to now is 81.8 secs Computing kpt #: 167 total cpu time spent up to now is 82.3 secs Computing kpt #: 168 total cpu time spent up to now is 82.8 secs Computing kpt #: 169 total cpu time spent up to now is 83.2 secs Computing kpt #: 170 total cpu time spent up to now is 83.7 secs Computing kpt #: 171 total cpu time spent up to now is 84.2 secs Computing kpt #: 172 total cpu time spent up to now is 84.6 secs Computing kpt #: 173 total cpu time spent up to now is 85.1 secs Computing kpt #: 174 total cpu time spent up to now is 85.5 secs Computing kpt #: 175 total cpu time spent up to now is 86.0 secs Computing kpt #: 176 total cpu time spent up to now is 86.5 secs Computing kpt #: 177 total cpu time spent up to now is 86.9 secs Computing kpt #: 178 total cpu time spent up to now is 87.4 secs Computing kpt #: 179 total cpu time spent up to now is 87.9 secs Computing kpt #: 180 total cpu time spent up to now is 88.4 secs Computing kpt #: 181 total cpu time spent up to now is 88.9 secs Computing kpt #: 182 total cpu time spent up to now is 89.4 secs Computing kpt #: 183 total cpu time spent up to now is 89.9 secs Computing kpt #: 184 total cpu time spent up to now is 90.4 secs Computing kpt #: 185 total cpu time spent up to now is 90.9 secs Computing kpt #: 186 total cpu time spent up to now is 91.4 secs Computing kpt #: 187 total cpu time spent up to now is 91.9 secs Computing kpt #: 188 total cpu time spent up to now is 92.4 secs Computing kpt #: 189 total cpu time spent up to now is 92.9 secs Computing kpt #: 190 total cpu time spent up to now is 93.4 secs Computing kpt #: 191 total cpu time spent up to now is 93.8 secs Computing kpt #: 192 total cpu time spent up to now is 94.3 secs Computing kpt #: 193 total cpu time spent up to now is 94.8 secs Computing kpt #: 194 total cpu time spent up to now is 95.3 secs Computing kpt #: 195 total cpu time spent up to now is 95.7 secs Computing kpt #: 196 total cpu time spent up to now is 96.2 secs Computing kpt #: 197 total cpu time spent up to now is 96.6 secs Computing kpt #: 198 total cpu time spent up to now is 97.1 secs Computing kpt #: 199 total cpu time spent up to now is 97.6 secs Computing kpt #: 200 total cpu time spent up to now is 98.0 secs Computing kpt #: 201 total cpu time spent up to now is 98.5 secs Computing kpt #: 202 total cpu time spent up to now is 98.9 secs Computing kpt #: 203 total cpu time spent up to now is 99.4 secs Computing kpt #: 204 total cpu time spent up to now is 99.8 secs Computing kpt #: 205 total cpu time spent up to now is 100.3 secs Computing kpt #: 206 total cpu time spent up to now is 100.7 secs Computing kpt #: 207 total cpu time spent up to now is 101.2 secs Computing kpt #: 208 total cpu time spent up to now is 101.6 secs Computing kpt #: 209 total cpu time spent up to now is 102.1 secs Computing kpt #: 210 total cpu time spent up to now is 102.5 secs Computing kpt #: 211 total cpu time spent up to now is 102.9 secs Computing kpt #: 212 total cpu time spent up to now is 103.3 secs Computing kpt #: 213 total cpu time spent up to now is 103.7 secs Computing kpt #: 214 total cpu time spent up to now is 104.1 secs Computing kpt #: 215 total cpu time spent up to now is 104.5 secs Computing kpt #: 216 total cpu time spent up to now is 104.8 secs Computing kpt #: 217 total cpu time spent up to now is 105.2 secs Computing kpt #: 218 total cpu time spent up to now is 105.6 secs Computing kpt #: 219 total cpu time spent up to now is 105.9 secs Computing kpt #: 220 total cpu time spent up to now is 106.3 secs Computing kpt #: 221 total cpu time spent up to now is 106.7 secs Computing kpt #: 222 total cpu time spent up to now is 107.0 secs Computing kpt #: 223 total cpu time spent up to now is 107.4 secs Computing kpt #: 224 total cpu time spent up to now is 107.8 secs Computing kpt #: 225 total cpu time spent up to now is 108.1 secs Computing kpt #: 226 total cpu time spent up to now is 108.5 secs Computing kpt #: 227 total cpu time spent up to now is 108.8 secs Computing kpt #: 228 total cpu time spent up to now is 109.2 secs Computing kpt #: 229 total cpu time spent up to now is 109.5 secs Computing kpt #: 230 total cpu time spent up to now is 109.9 secs Computing kpt #: 231 total cpu time spent up to now is 110.2 secs Computing kpt #: 232 total cpu time spent up to now is 110.6 secs Computing kpt #: 233 total cpu time spent up to now is 110.9 secs Computing kpt #: 234 total cpu time spent up to now is 111.3 secs Computing kpt #: 235 total cpu time spent up to now is 111.7 secs Computing kpt #: 236 total cpu time spent up to now is 112.0 secs Computing kpt #: 237 total cpu time spent up to now is 112.4 secs Computing kpt #: 238 total cpu time spent up to now is 112.8 secs Computing kpt #: 239 total cpu time spent up to now is 113.2 secs Computing kpt #: 240 total cpu time spent up to now is 113.6 secs Computing kpt #: 241 total cpu time spent up to now is 113.9 secs Computing kpt #: 242 total cpu time spent up to now is 114.3 secs Computing kpt #: 243 total cpu time spent up to now is 114.7 secs Computing kpt #: 244 total cpu time spent up to now is 115.1 secs Computing kpt #: 245 total cpu time spent up to now is 115.5 secs Computing kpt #: 246 total cpu time spent up to now is 115.9 secs Computing kpt #: 247 total cpu time spent up to now is 116.3 secs Computing kpt #: 248 total cpu time spent up to now is 116.7 secs Computing kpt #: 249 total cpu time spent up to now is 117.1 secs Computing kpt #: 250 total cpu time spent up to now is 117.5 secs Computing kpt #: 251 total cpu time spent up to now is 117.9 secs Computing kpt #: 252 total cpu time spent up to now is 118.4 secs Computing kpt #: 253 total cpu time spent up to now is 118.8 secs Computing kpt #: 254 total cpu time spent up to now is 119.3 secs Computing kpt #: 255 total cpu time spent up to now is 119.7 secs Computing kpt #: 256 total cpu time spent up to now is 120.1 secs Computing kpt #: 257 total cpu time spent up to now is 120.6 secs Computing kpt #: 258 total cpu time spent up to now is 121.1 secs Computing kpt #: 259 total cpu time spent up to now is 121.5 secs Computing kpt #: 260 total cpu time spent up to now is 122.0 secs Computing kpt #: 261 total cpu time spent up to now is 122.5 secs Computing kpt #: 262 total cpu time spent up to now is 122.9 secs Computing kpt #: 263 total cpu time spent up to now is 123.4 secs Computing kpt #: 264 total cpu time spent up to now is 123.9 secs Computing kpt #: 265 total cpu time spent up to now is 124.3 secs Computing kpt #: 266 total cpu time spent up to now is 124.8 secs Computing kpt #: 267 total cpu time spent up to now is 125.3 secs Computing kpt #: 268 total cpu time spent up to now is 125.8 secs Computing kpt #: 269 total cpu time spent up to now is 126.2 secs Computing kpt #: 270 total cpu time spent up to now is 126.7 secs Computing kpt #: 271 total cpu time spent up to now is 127.2 secs Computing kpt #: 272 total cpu time spent up to now is 127.7 secs Computing kpt #: 273 total cpu time spent up to now is 128.1 secs Computing kpt #: 274 total cpu time spent up to now is 128.6 secs Computing kpt #: 275 total cpu time spent up to now is 129.1 secs Computing kpt #: 276 total cpu time spent up to now is 129.5 secs Computing kpt #: 277 total cpu time spent up to now is 130.0 secs Computing kpt #: 278 total cpu time spent up to now is 130.4 secs Computing kpt #: 279 total cpu time spent up to now is 130.8 secs Computing kpt #: 280 total cpu time spent up to now is 131.3 secs Computing kpt #: 281 total cpu time spent up to now is 131.8 secs Computing kpt #: 282 total cpu time spent up to now is 132.2 secs Computing kpt #: 283 total cpu time spent up to now is 132.7 secs Computing kpt #: 284 total cpu time spent up to now is 133.2 secs Computing kpt #: 285 total cpu time spent up to now is 133.7 secs Computing kpt #: 286 total cpu time spent up to now is 134.3 secs Computing kpt #: 287 total cpu time spent up to now is 134.7 secs Computing kpt #: 288 total cpu time spent up to now is 135.2 secs Computing kpt #: 289 total cpu time spent up to now is 135.7 secs Computing kpt #: 290 total cpu time spent up to now is 136.1 secs Computing kpt #: 291 total cpu time spent up to now is 136.5 secs Computing kpt #: 292 total cpu time spent up to now is 137.0 secs Computing kpt #: 293 total cpu time spent up to now is 137.7 secs Computing kpt #: 294 total cpu time spent up to now is 138.2 secs Computing kpt #: 295 total cpu time spent up to now is 138.7 secs Computing kpt #: 296 total cpu time spent up to now is 139.1 secs Computing kpt #: 297 total cpu time spent up to now is 139.6 secs Computing kpt #: 298 total cpu time spent up to now is 140.0 secs Computing kpt #: 299 total cpu time spent up to now is 140.4 secs Computing kpt #: 300 total cpu time spent up to now is 140.9 secs Computing kpt #: 301 total cpu time spent up to now is 141.3 secs Computing kpt #: 302 total cpu time spent up to now is 141.7 secs Computing kpt #: 303 total cpu time spent up to now is 142.2 secs Computing kpt #: 304 total cpu time spent up to now is 142.6 secs Computing kpt #: 305 total cpu time spent up to now is 143.1 secs Computing kpt #: 306 total cpu time spent up to now is 143.5 secs Computing kpt #: 307 total cpu time spent up to now is 144.0 secs Computing kpt #: 308 total cpu time spent up to now is 144.4 secs Computing kpt #: 309 total cpu time spent up to now is 144.9 secs Computing kpt #: 310 total cpu time spent up to now is 145.4 secs Computing kpt #: 311 total cpu time spent up to now is 145.9 secs Computing kpt #: 312 total cpu time spent up to now is 146.3 secs Computing kpt #: 313 total cpu time spent up to now is 146.8 secs Computing kpt #: 314 total cpu time spent up to now is 147.3 secs Computing kpt #: 315 total cpu time spent up to now is 147.8 secs Computing kpt #: 316 total cpu time spent up to now is 148.2 secs Computing kpt #: 317 total cpu time spent up to now is 148.7 secs Computing kpt #: 318 total cpu time spent up to now is 149.2 secs Computing kpt #: 319 total cpu time spent up to now is 149.7 secs Computing kpt #: 320 total cpu time spent up to now is 150.1 secs Computing kpt #: 321 total cpu time spent up to now is 150.6 secs Computing kpt #: 322 total cpu time spent up to now is 151.0 secs Computing kpt #: 323 total cpu time spent up to now is 151.5 secs Computing kpt #: 324 total cpu time spent up to now is 151.9 secs Computing kpt #: 325 total cpu time spent up to now is 152.3 secs Computing kpt #: 326 total cpu time spent up to now is 152.8 secs Computing kpt #: 327 total cpu time spent up to now is 153.2 secs Computing kpt #: 328 total cpu time spent up to now is 153.6 secs Computing kpt #: 329 total cpu time spent up to now is 154.0 secs Computing kpt #: 330 total cpu time spent up to now is 154.4 secs Computing kpt #: 331 total cpu time spent up to now is 154.7 secs Computing kpt #: 332 total cpu time spent up to now is 155.1 secs Computing kpt #: 333 total cpu time spent up to now is 155.5 secs Computing kpt #: 334 total cpu time spent up to now is 155.8 secs Computing kpt #: 335 total cpu time spent up to now is 156.2 secs Computing kpt #: 336 total cpu time spent up to now is 156.6 secs Computing kpt #: 337 total cpu time spent up to now is 156.9 secs ethr = 2.50E-08, avg # of iterations = 15.3 total cpu time spent up to now is 156.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6098 -38.6098 -38.5780 -38.5780 -37.4718 -37.4718 -37.4226 -37.4226 -37.3047 -37.3047 -37.2955 -37.2955 -1.6956 -1.6956 1.1702 1.1702 4.4929 4.4929 6.8192 6.8192 7.0082 7.0082 7.8560 7.8560 8.5544 8.5544 8.5567 8.5567 8.9876 8.9876 9.0503 9.0503 9.6729 9.6729 9.7120 9.7120 10.1570 10.1570 10.7462 10.7462 10.9356 10.9356 12.4438 12.4438 k = 0.0111 0.0064-0.0000 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4226 -37.4226 -37.3047 -37.3047 -37.2955 -37.2955 -1.6943 -1.6943 1.1704 1.1704 4.4945 4.4945 6.8189 6.8189 7.0080 7.0080 7.8553 7.8553 8.5522 8.5522 8.5552 8.5552 8.9867 8.9867 9.0495 9.0495 9.6728 9.6728 9.7119 9.7119 10.1541 10.1541 10.7402 10.7402 10.9353 10.9353 12.4443 12.4443 k = 0.0222 0.0128-0.0000 ( 6899 PWs) bands (ev): -68.8052 -68.8052 -68.7923 -68.7923 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3048 -37.3048 -37.2955 -37.2955 -1.6904 -1.6904 1.1708 1.1708 4.4989 4.4989 6.8174 6.8174 7.0065 7.0065 7.8514 7.8514 8.5440 8.5440 8.5509 8.5509 8.9847 8.9847 9.0485 9.0485 9.6723 9.6723 9.7113 9.7113 10.1453 10.1453 10.7227 10.7227 10.9313 10.9313 12.4458 12.4458 k = 0.0333 0.0192-0.0000 ( 6895 PWs) bands (ev): -68.8051 -68.8051 -68.7918 -68.7918 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4226 -37.4226 -37.3048 -37.3048 -37.2955 -37.2955 -1.6838 -1.6838 1.1714 1.1714 4.5063 4.5063 6.8150 6.8150 7.0043 7.0043 7.8459 7.8459 8.5339 8.5339 8.5425 8.5425 8.9822 8.9822 9.0486 9.0486 9.6781 9.6781 9.7170 9.7170 10.1304 10.1304 10.6950 10.6950 10.9269 10.9269 12.4481 12.4481 k = 0.0444 0.0257-0.0000 ( 6899 PWs) bands (ev): -68.8068 -68.8068 -68.7907 -68.7907 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6748 -1.6748 1.1722 1.1722 4.5172 4.5172 6.8110 6.8110 7.0007 7.0007 7.8373 7.8373 8.5162 8.5162 8.5304 8.5304 8.9787 8.9787 9.0511 9.0511 9.6738 9.6738 9.7122 9.7122 10.1087 10.1087 10.6592 10.6592 10.9295 10.9295 12.4507 12.4507 k = 0.0556 0.0321-0.0000 ( 6893 PWs) bands (ev): -68.8071 -68.8071 -68.7896 -68.7896 -38.6097 -38.6097 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6631 -1.6631 1.1733 1.1733 4.5311 4.5311 6.8077 6.8077 6.9985 6.9985 7.8272 7.8272 8.4954 8.4954 8.5188 8.5188 8.9667 8.9667 9.0574 9.0574 9.6754 9.6754 9.7134 9.7134 10.0801 10.0801 10.6178 10.6178 10.9288 10.9288 12.4514 12.4514 k = 0.0667 0.0385-0.0000 ( 6891 PWs) bands (ev): -68.8069 -68.8069 -68.7896 -68.7896 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6488 -1.6488 1.1746 1.1746 4.5480 4.5480 6.8042 6.8042 6.9970 6.9970 7.8180 7.8180 8.4698 8.4698 8.5042 8.5042 8.9473 8.9473 9.0592 9.0592 9.6740 9.6740 9.7117 9.7117 10.0449 10.0449 10.5737 10.5737 10.9241 10.9241 12.4435 12.4435 k = 0.0778 0.0449-0.0000 ( 6885 PWs) bands (ev): -68.8061 -68.8061 -68.7896 -68.7896 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6319 -1.6319 1.1760 1.1760 4.5680 4.5680 6.7997 6.7997 6.9966 6.9966 7.8060 7.8060 8.4385 8.4385 8.4904 8.4904 8.9198 8.9198 9.0662 9.0662 9.6747 9.6747 9.7127 9.7127 10.0032 10.0032 10.5291 10.5291 10.9175 10.9175 12.4060 12.4060 k = 0.0889 0.0513-0.0000 ( 6889 PWs) bands (ev): -68.8061 -68.8061 -68.7902 -68.7902 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3050 -37.3050 -37.2955 -37.2955 -1.6125 -1.6125 1.1776 1.1776 4.5910 4.5910 6.7930 6.7930 6.9950 6.9950 7.7895 7.7895 8.4038 8.4038 8.4716 8.4716 8.8921 8.8921 9.0659 9.0659 9.6723 9.6723 9.7107 9.7107 9.9557 9.9557 10.4846 10.4846 10.9080 10.9080 12.3409 12.3409 k = 0.1000 0.0577-0.0000 ( 6883 PWs) bands (ev): -68.8061 -68.8061 -68.7894 -68.7894 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3050 -37.3050 -37.2955 -37.2955 -1.5906 -1.5906 1.1792 1.1792 4.6171 4.6171 6.7848 6.7848 6.9935 6.9935 7.7687 7.7687 8.3683 8.3683 8.4491 8.4491 8.8655 8.8655 9.0756 9.0756 9.6697 9.6697 9.7092 9.7092 9.9044 9.9044 10.4414 10.4414 10.9033 10.9033 12.2684 12.2684 k = 0.1111 0.0642-0.0000 ( 6887 PWs) bands (ev): -68.8056 -68.8056 -68.7905 -68.7905 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3050 -37.3050 -37.2955 -37.2955 -1.5661 -1.5661 1.1809 1.1809 4.6456 4.6456 6.7741 6.7741 6.9930 6.9930 7.7435 7.7435 8.3262 8.3262 8.4265 8.4265 8.8319 8.8319 9.0799 9.0799 9.6681 9.6681 9.7080 9.7080 9.8512 9.8512 10.3999 10.3999 10.8859 10.8859 12.1935 12.1935 k = 0.1222 0.0706-0.0000 ( 6895 PWs) bands (ev): -68.8050 -68.8050 -68.7922 -68.7922 -38.6098 -38.6098 -38.5781 -38.5781 -37.4719 -37.4719 -37.4227 -37.4227 -37.3050 -37.3050 -37.2956 -37.2956 -1.5392 -1.5392 1.1825 1.1825 4.6775 4.6775 6.7615 6.7615 6.9929 6.9929 7.7115 7.7115 8.2819 8.2819 8.4015 8.4015 8.7910 8.7910 9.0823 9.0823 9.6635 9.6635 9.7058 9.7058 9.7998 9.7998 10.3593 10.3593 10.8720 10.8720 12.1197 12.1197 k = 0.1333 0.0770-0.0000 ( 6899 PWs) bands (ev): -68.8050 -68.8050 -68.7928 -68.7928 -38.6098 -38.6098 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3051 -37.3051 -37.2956 -37.2956 -1.5098 -1.5098 1.1841 1.1841 4.7119 4.7119 6.7457 6.7457 6.9932 6.9932 7.6711 7.6711 8.2415 8.2415 8.3758 8.3758 8.7541 8.7541 9.0911 9.0911 9.6547 9.6547 9.7025 9.7025 9.7531 9.7531 10.3191 10.3191 10.8523 10.8523 12.0440 12.0440 k = 0.1444 0.0834-0.0000 ( 6915 PWs) bands (ev): -68.8061 -68.8061 -68.7939 -68.7939 -38.6099 -38.6099 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3051 -37.3051 -37.2957 -37.2957 -1.4780 -1.4780 1.1855 1.1855 4.7497 4.7497 6.7250 6.7250 6.9932 6.9932 7.6212 7.6212 8.2022 8.2022 8.3478 8.3478 8.7136 8.7136 9.0946 9.0946 9.6320 9.6320 9.6931 9.6931 9.7168 9.7168 10.2785 10.2785 10.8369 10.8369 11.9653 11.9653 k = 0.1556 0.0898-0.0000 ( 6911 PWs) bands (ev): -68.8050 -68.8050 -68.7945 -68.7945 -38.6099 -38.6099 -38.5782 -38.5782 -37.4720 -37.4720 -37.4227 -37.4227 -37.3052 -37.3052 -37.2958 -37.2958 -1.4437 -1.4437 1.1867 1.1867 4.7903 4.7903 6.7025 6.7025 6.9958 6.9958 7.5653 7.5653 8.1677 8.1677 8.3210 8.3210 8.6736 8.6736 9.1003 9.1003 9.6053 9.6053 9.6828 9.6828 9.7118 9.7118 10.2392 10.2392 10.8200 10.8200 11.8907 11.8907 k = 0.1667 0.0962-0.0000 ( 6923 PWs) bands (ev): -68.8056 -68.8056 -68.7957 -68.7957 -38.6099 -38.6099 -38.5782 -38.5782 -37.4720 -37.4720 -37.4227 -37.4227 -37.3052 -37.3052 -37.2958 -37.2958 -1.4071 -1.4071 1.1876 1.1876 4.8337 4.8337 6.6741 6.6741 6.9964 6.9964 7.5007 7.5007 8.1341 8.1341 8.2907 8.2907 8.6311 8.6311 9.1079 9.1079 9.5652 9.5652 9.6732 9.6732 9.7084 9.7084 10.1966 10.1966 10.8025 10.8025 11.8138 11.8138 k = 0.1778 0.1026-0.0000 ( 6913 PWs) bands (ev): -68.8045 -68.8045 -68.7955 -68.7955 -38.6099 -38.6099 -38.5782 -38.5782 -37.4720 -37.4720 -37.4227 -37.4227 -37.3053 -37.3053 -37.2959 -37.2959 -1.3681 -1.3681 1.1881 1.1881 4.8800 4.8800 6.6410 6.6410 7.0015 7.0015 7.4342 7.4342 8.1083 8.1083 8.2645 8.2645 8.5895 8.5895 9.1230 9.1230 9.5263 9.5263 9.6695 9.6695 9.7093 9.7093 10.1586 10.1586 10.7854 10.7854 11.7383 11.7383 k = 0.1889 0.1091-0.0000 ( 6919 PWs) bands (ev): -68.8048 -68.8048 -68.7960 -68.7960 -38.6099 -38.6099 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3053 -37.3053 -37.2959 -37.2959 -1.3269 -1.3269 1.1881 1.1881 4.9290 4.9290 6.6008 6.6008 7.0044 7.0044 7.3642 7.3642 8.0844 8.0844 8.2350 8.2350 8.5469 8.5469 9.1313 9.1313 9.4883 9.4883 9.6629 9.6629 9.7074 9.7074 10.1166 10.1166 10.7646 10.7646 11.6628 11.6628 k = 0.2000 0.1155-0.0000 ( 6927 PWs) bands (ev): -68.8060 -68.8060 -68.7961 -68.7961 -38.6099 -38.6099 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3054 -37.3054 -37.2959 -37.2959 -1.2834 -1.2834 1.1876 1.1876 4.9806 4.9806 6.5525 6.5525 7.0073 7.0073 7.2961 7.2961 8.0642 8.0642 8.2059 8.2059 8.5036 8.5036 9.1434 9.1434 9.4531 9.4531 9.6494 9.6494 9.7027 9.7027 10.0735 10.0735 10.7420 10.7420 11.5872 11.5872 k = 0.2111 0.1219-0.0000 ( 6919 PWs) bands (ev): -68.8054 -68.8054 -68.7955 -68.7955 -38.6100 -38.6100 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3054 -37.3054 -37.2960 -37.2960 -1.2378 -1.2378 1.1864 1.1864 5.0348 5.0348 6.4956 6.4956 7.0106 7.0106 7.2330 7.2330 8.0477 8.0477 8.1777 8.1777 8.4630 8.4630 9.1578 9.1578 9.4224 9.4224 9.6479 9.6479 9.7059 9.7059 10.0315 10.0315 10.7187 10.7187 11.5140 11.5140 k = 0.2222 0.1283-0.0000 ( 6925 PWs) bands (ev): -68.8054 -68.8054 -68.7964 -68.7964 -38.6100 -38.6100 -38.5784 -38.5784 -37.4720 -37.4720 -37.4228 -37.4228 -37.3055 -37.3055 -37.2960 -37.2960 -1.1900 -1.1900 1.1844 1.1844 5.0914 5.0914 6.4293 6.4293 7.0122 7.0122 7.1755 7.1755 8.0297 8.0297 8.1490 8.1490 8.4186 8.4186 9.1663 9.1663 9.3929 9.3929 9.6425 9.6425 9.7083 9.7083 9.9884 9.9884 10.6891 10.6891 11.4406 11.4406 k = 0.2333 0.1347-0.0000 ( 6919 PWs) bands (ev): -68.8046 -68.8046 -68.7964 -68.7964 -38.6100 -38.6100 -38.5784 -38.5784 -37.4720 -37.4720 -37.4228 -37.4228 -37.3055 -37.3055 -37.2961 -37.2961 -1.1401 -1.1401 1.1816 1.1816 5.1505 5.1505 6.3543 6.3543 7.0113 7.0113 7.1294 7.1294 8.0154 8.0154 8.1215 8.1215 8.3760 8.3760 9.1791 9.1791 9.3685 9.3685 9.6427 9.6427 9.7091 9.7091 9.9465 9.9465 10.6587 10.6587 11.3711 11.3711 k = 0.2444 0.1411-0.0000 ( 6923 PWs) bands (ev): -68.8046 -68.8046 -68.7969 -68.7969 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4229 -37.4229 -37.3056 -37.3056 -37.2962 -37.2962 -1.0883 -1.0883 1.1776 1.1776 5.2117 5.2117 6.2704 6.2704 7.0041 7.0041 7.0972 7.0972 8.0011 8.0011 8.0954 8.0954 8.3308 8.3308 9.1885 9.1885 9.3445 9.3445 9.6378 9.6378 9.7087 9.7087 9.9031 9.9031 10.6220 10.6220 11.3011 11.3011 k = 0.2556 0.1475-0.0000 ( 6923 PWs) bands (ev): -68.8046 -68.8046 -68.7970 -68.7970 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4229 -37.4229 -37.3057 -37.3057 -37.2962 -37.2962 -1.0345 -1.0345 1.1725 1.1725 5.2749 5.2749 6.1797 6.1797 6.9873 6.9873 7.0809 7.0809 7.9867 7.9867 8.0697 8.0697 8.2882 8.2882 9.2022 9.2022 9.3228 9.3228 9.6333 9.6333 9.7085 9.7085 9.8598 9.8598 10.5854 10.5854 11.2332 11.2332 k = 0.2667 0.1540-0.0000 ( 6921 PWs) bands (ev): -68.8048 -68.8048 -68.7964 -68.7964 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4229 -37.4229 -37.3057 -37.3057 -37.2962 -37.2962 -0.9789 -0.9789 1.1661 1.1661 5.3397 5.3397 6.0833 6.0833 6.9653 6.9653 7.0759 7.0759 7.9715 7.9715 8.0459 8.0459 8.2484 8.2484 9.2170 9.2170 9.2996 9.2996 9.6280 9.6280 9.7142 9.7142 9.8168 9.8168 10.5486 10.5486 11.1647 11.1647 k = 0.2778 0.1604-0.0000 ( 6917 PWs) bands (ev): -68.8046 -68.8046 -68.7962 -68.7962 -38.6100 -38.6100 -38.5785 -38.5785 -37.4721 -37.4721 -37.4229 -37.4229 -37.3058 -37.3058 -37.2962 -37.2962 -0.9216 -0.9216 1.1583 1.1583 5.4055 5.4055 5.9861 5.9861 6.9428 6.9428 7.0763 7.0763 7.9546 7.9546 8.0241 8.0241 8.2069 8.2069 9.2339 9.2339 9.2828 9.2828 9.6243 9.6243 9.7127 9.7127 9.7761 9.7761 10.5071 10.5071 11.1026 11.1026 k = 0.2889 0.1668-0.0000 ( 6917 PWs) bands (ev): -68.8045 -68.8045 -68.7962 -68.7962 -38.6100 -38.6100 -38.5785 -38.5785 -37.4721 -37.4721 -37.4229 -37.4229 -37.3058 -37.3058 -37.2963 -37.2963 -0.8626 -0.8626 1.1489 1.1489 5.4706 5.4706 5.8895 5.8895 6.9227 6.9227 7.0796 7.0796 7.9359 7.9359 8.0057 8.0057 8.1653 8.1653 9.2456 9.2456 9.2667 9.2667 9.6195 9.6195 9.7048 9.7048 9.7424 9.7424 10.4568 10.4568 11.0439 11.0439 k = 0.3000 0.1732-0.0000 ( 6937 PWs) bands (ev): -68.8056 -68.8056 -68.7979 -68.7979 -38.6101 -38.6101 -38.5785 -38.5785 -37.4721 -37.4721 -37.4230 -37.4230 -37.3059 -37.3059 -37.2964 -37.2964 -0.8022 -0.8022 1.1376 1.1376 5.5290 5.5290 5.7997 5.7997 6.9033 6.9033 7.0827 7.0827 7.9131 7.9131 7.9870 7.9870 8.1239 8.1239 9.2449 9.2449 9.2529 9.2529 9.6120 9.6120 9.6746 9.6746 9.7241 9.7241 10.4018 10.4018 10.9824 10.9824 k = 0.3111 0.1796-0.0000 ( 6937 PWs) bands (ev): -68.8056 -68.8056 -68.7979 -68.7979 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3060 -37.3060 -37.2964 -37.2964 -0.7403 -0.7403 1.1245 1.1245 5.5589 5.5589 5.7419 5.7419 6.8876 6.8876 7.0876 7.0876 7.8898 7.8898 7.9721 7.9721 8.0862 8.0862 9.2310 9.2310 9.2644 9.2644 9.6050 9.6050 9.6402 9.6402 9.7212 9.7212 10.3487 10.3487 10.9275 10.9275 k = 0.3222 0.1860-0.0000 ( 6941 PWs) bands (ev): -68.8061 -68.8061 -68.7979 -68.7979 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3061 -37.3061 -37.2965 -37.2965 -0.6772 -0.6772 1.1094 1.1094 5.5188 5.5188 5.7572 5.7572 6.8740 6.8740 7.0922 7.0922 7.8642 7.8642 7.9579 7.9579 8.0503 8.0503 9.2150 9.2150 9.2769 9.2769 9.5848 9.5848 9.6132 9.6132 9.7206 9.7206 10.2929 10.2929 10.8752 10.8752 k = 0.3333 0.1925-0.0000 ( 6943 PWs) bands (ev): -68.8059 -68.8059 -68.7985 -68.7985 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3061 -37.3061 -37.2965 -37.2965 -0.6129 -0.6129 1.0921 1.0921 5.4388 5.4388 5.8164 5.8164 6.8624 6.8624 7.0973 7.0973 7.8365 7.8365 7.9443 7.9443 8.0167 8.0167 9.2003 9.2003 9.2882 9.2882 9.5531 9.5531 9.6042 9.6042 9.7223 9.7223 10.2337 10.2337 10.8250 10.8250 k = 0.3444 0.1989-0.0000 ( 6951 PWs) bands (ev): -68.8070 -68.8070 -68.7985 -68.7985 -38.6101 -38.6101 -38.5787 -38.5787 -37.4721 -37.4721 -37.4230 -37.4230 -37.3062 -37.3062 -37.2966 -37.2966 -0.5478 -0.5478 1.0726 1.0726 5.3508 5.3508 5.8882 5.8882 6.8528 6.8528 7.1017 7.1017 7.8066 7.8066 7.9310 7.9310 7.9870 7.9870 9.1825 9.1825 9.2995 9.2995 9.5151 9.5151 9.5960 9.5960 9.7188 9.7188 10.1738 10.1738 10.7783 10.7783 k = 0.3556 0.2053-0.0000 ( 6949 PWs) bands (ev): -68.8061 -68.8061 -68.7991 -68.7991 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4230 -37.4230 -37.3063 -37.3063 -37.2966 -37.2966 -0.4818 -0.4818 1.0507 1.0507 5.2635 5.2635 5.9646 5.9646 6.8451 6.8451 7.1046 7.1046 7.7740 7.7740 7.9195 7.9195 7.9611 7.9611 9.1714 9.1714 9.3094 9.3094 9.4803 9.4803 9.5952 9.5952 9.7222 9.7222 10.1127 10.1127 10.7366 10.7366 k = 0.3667 0.2117-0.0000 ( 6951 PWs) bands (ev): -68.8058 -68.8058 -68.7996 -68.7996 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4230 -37.4230 -37.3063 -37.3063 -37.2966 -37.2966 -0.4154 -0.4154 1.0264 1.0264 5.1792 5.1792 6.0432 6.0432 6.8388 6.8388 7.1084 7.1084 7.7380 7.7380 7.9045 7.9045 7.9396 7.9396 9.1628 9.1628 9.3195 9.3195 9.4453 9.4453 9.5905 9.5905 9.7232 9.7232 10.0514 10.0514 10.6973 10.6973 k = 0.3778 0.2181-0.0000 ( 6947 PWs) bands (ev): -68.8058 -68.8058 -68.7990 -68.7990 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4230 -37.4230 -37.3063 -37.3063 -37.2967 -37.2967 -0.3486 -0.3486 0.9996 0.9996 5.0994 5.0994 6.1232 6.1232 6.8344 6.8344 7.1136 7.1136 7.6998 7.6998 7.8911 7.8911 7.9229 7.9229 9.1514 9.1514 9.3307 9.3307 9.4145 9.4145 9.5855 9.5855 9.7247 9.7247 9.9918 9.9918 10.6642 10.6642 k = 0.3889 0.2245-0.0000 ( 6939 PWs) bands (ev): -68.8047 -68.8047 -68.7990 -68.7990 -38.6102 -38.6102 -38.5787 -38.5787 -37.4722 -37.4722 -37.4230 -37.4230 -37.3063 -37.3063 -37.2967 -37.2967 -0.2819 -0.2819 0.9705 0.9705 5.0248 5.0248 6.2036 6.2036 6.8316 6.8316 7.1173 7.1173 7.6588 7.6588 7.8782 7.8782 7.9091 7.9091 9.1408 9.1408 9.3391 9.3391 9.3895 9.3895 9.5882 9.5882 9.7286 9.7286 9.9332 9.9332 10.6338 10.6338 k = 0.4000 0.2309-0.0000 ( 6939 PWs) bands (ev): -68.8053 -68.8053 -68.7984 -68.7984 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4230 -37.4230 -37.3064 -37.3064 -37.2967 -37.2967 -0.2156 -0.2156 0.9389 0.9389 4.9559 4.9559 6.2838 6.2838 6.8304 6.8304 7.1201 7.1201 7.6156 7.6156 7.8666 7.8666 7.8971 7.8971 9.1279 9.1279 9.3431 9.3431 9.3653 9.3653 9.5806 9.5806 9.7297 9.7297 9.8799 9.8799 10.6078 10.6078 k = 0.4111 0.2374-0.0000 ( 6936 PWs) bands (ev): -68.8054 -68.8054 -68.7979 -68.7979 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4231 -37.4231 -37.3064 -37.3064 -37.2967 -37.2967 -0.1501 -0.1501 0.9052 0.9052 4.8933 4.8933 6.3630 6.3630 6.8310 6.8310 7.1227 7.1227 7.5694 7.5694 7.8548 7.8548 7.8859 7.8859 9.1194 9.1194 9.3306 9.3306 9.3643 9.3643 9.5709 9.5709 9.7312 9.7312 9.8319 9.8319 10.5851 10.5851 k = 0.4222 0.2438-0.0000 ( 6932 PWs) bands (ev): -68.8054 -68.8054 -68.7973 -68.7973 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2967 -37.2967 -0.0859 -0.0859 0.8697 0.8697 4.8371 4.8371 6.4401 6.4401 6.8340 6.8340 7.1248 7.1248 7.5211 7.5211 7.8462 7.8462 7.8764 7.8764 9.1105 9.1105 9.3102 9.3102 9.3702 9.3702 9.5619 9.5619 9.7325 9.7325 9.7927 9.7927 10.5644 10.5644 k = 0.4333 0.2502-0.0000 ( 6934 PWs) bands (ev): -68.8054 -68.8054 -68.7976 -68.7976 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2967 -37.2967 -0.0238 -0.0238 0.8327 0.8327 4.7877 4.7877 6.5134 6.5134 6.8403 6.8403 7.1265 7.1265 7.4690 7.4690 7.8388 7.8388 7.8678 7.8678 9.1023 9.1023 9.2913 9.2913 9.3756 9.3756 9.5512 9.5512 9.7332 9.7332 9.7540 9.7540 10.5450 10.5450 k = 0.4444 0.2566-0.0000 ( 6936 PWs) bands (ev): -68.8045 -68.8045 -68.7987 -68.7987 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 0.0354 0.0354 0.7951 0.7951 4.7451 4.7451 6.5802 6.5802 6.8515 6.8515 7.1269 7.1269 7.4149 7.4149 7.8326 7.8326 7.8600 7.8600 9.0975 9.0975 9.2769 9.2769 9.3771 9.3771 9.5420 9.5420 9.7228 9.7228 9.7369 9.7369 10.5251 10.5251 k = 0.4556 0.2630-0.0000 ( 6946 PWs) bands (ev): -68.8045 -68.8045 -68.8001 -68.8001 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 0.0902 0.0902 0.7581 0.7581 4.7102 4.7102 6.6368 6.6368 6.8703 6.8703 7.1276 7.1276 7.3578 7.3578 7.8273 7.8273 7.8535 7.8535 9.0916 9.0916 9.2657 9.2657 9.3816 9.3816 9.5228 9.5228 9.6899 9.6899 9.7404 9.7404 10.5102 10.5102 k = 0.4667 0.2694-0.0000 ( 6938 PWs) bands (ev): -68.8039 -68.8039 -68.7996 -68.7996 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 0.1387 0.1387 0.7237 0.7237 4.6831 4.6831 6.6794 6.6794 6.9001 6.9001 7.1294 7.1294 7.3016 7.3016 7.8243 7.8243 7.8485 7.8485 9.0882 9.0882 9.2561 9.2561 9.3896 9.3896 9.5100 9.5100 9.6761 9.6761 9.7470 9.7470 10.5022 10.5022 k = 0.4778 0.2758-0.0000 ( 6942 PWs) bands (ev): -68.8045 -68.8045 -68.7996 -68.7996 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 0.1779 0.1779 0.6946 0.6946 4.6634 4.6634 6.7064 6.7064 6.9387 6.9387 7.1315 7.1315 7.2465 7.2465 7.8197 7.8197 7.8446 7.8446 9.0850 9.0850 9.2408 9.2408 9.3917 9.3917 9.5010 9.5010 9.6677 9.6677 9.7471 9.7471 10.4954 10.4954 k = 0.4889 0.2823-0.0000 ( 6948 PWs) bands (ev): -68.8053 -68.8053 -68.7996 -68.7996 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2040 0.2040 0.6745 0.6745 4.6514 4.6514 6.7203 6.7203 6.9764 6.9764 7.1369 7.1369 7.1972 7.1972 7.8173 7.8173 7.8424 7.8424 9.0793 9.0793 9.2286 9.2286 9.3928 9.3928 9.4949 9.4949 9.6635 9.6635 9.7462 9.7462 10.4908 10.4908 k = 0.5000 0.2887-0.0000 ( 6948 PWs) bands (ev): -68.8059 -68.8059 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2133 0.2133 0.6672 0.6672 4.6474 4.6474 6.7245 6.7245 6.9948 6.9948 7.1457 7.1457 7.1688 7.1688 7.8169 7.8169 7.8417 7.8417 9.0780 9.0780 9.2243 9.2243 9.3958 9.3958 9.4897 9.4897 9.6614 9.6614 9.7457 9.7457 10.4893 10.4893 k = 0.5000 0.2887-0.0000 ( 6948 PWs) bands (ev): -68.8059 -68.8059 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2133 0.2133 0.6672 0.6672 4.6474 4.6474 6.7245 6.7245 6.9948 6.9948 7.1457 7.1457 7.1688 7.1688 7.8169 7.8169 7.8417 7.8417 9.0780 9.0780 9.2243 9.2243 9.3958 9.3958 9.4897 9.4897 9.6614 9.6614 9.7457 9.7457 10.4893 10.4893 k = 0.4936 0.2998-0.0000 ( 6946 PWs) bands (ev): -68.8056 -68.8056 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2140 0.2140 0.6677 0.6677 4.6478 4.6478 6.7203 6.7203 6.9955 6.9955 7.1366 7.1366 7.1823 7.1823 7.7445 7.7445 7.9071 7.9071 9.0806 9.0806 9.2273 9.2273 9.3977 9.3977 9.4929 9.4929 9.6633 9.6633 9.7467 9.7467 10.4917 10.4917 k = 0.4872 0.3109-0.0000 ( 6944 PWs) bands (ev): -68.8048 -68.8048 -68.7996 -68.7996 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2162 0.2162 0.6691 0.6691 4.6485 4.6485 6.7081 6.7081 6.9997 6.9997 7.1236 7.1236 7.2057 7.2057 7.6595 7.6595 7.9800 7.9800 9.0868 9.0868 9.2351 9.2351 9.3986 9.3986 9.4925 9.4925 9.6618 9.6618 9.7434 9.7434 10.4977 10.4977 k = 0.4808 0.3220-0.0000 ( 6940 PWs) bands (ev): -68.8042 -68.8042 -68.7996 -68.7996 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 0.2198 0.2198 0.6715 0.6715 4.6498 4.6498 6.6891 6.6891 7.0057 7.0057 7.1119 7.1119 7.2336 7.2336 7.5701 7.5701 8.0456 8.0456 9.0990 9.0990 9.2450 9.2450 9.4066 9.4066 9.4903 9.4903 9.6593 9.6593 9.7426 9.7426 10.5082 10.5082 k = 0.4744 0.3331-0.0000 ( 6950 PWs) bands (ev): -68.8054 -68.8054 -68.7999 -68.7999 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2969 -37.2969 0.2249 0.2249 0.6747 0.6747 4.6510 4.6510 6.6649 6.6649 7.0131 7.0131 7.1015 7.1015 7.2646 7.2646 7.4791 7.4791 8.1028 8.1028 9.1108 9.1108 9.2436 9.2436 9.4125 9.4125 9.4889 9.4889 9.6581 9.6581 9.7324 9.7324 10.5198 10.5198 k = 0.4679 0.3442-0.0000 ( 6944 PWs) bands (ev): -68.8052 -68.8052 -68.7993 -68.7993 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2313 0.2313 0.6787 0.6787 4.6526 4.6526 6.6371 6.6371 7.0203 7.0203 7.0922 7.0922 7.2987 7.2987 7.3914 7.3914 8.1535 8.1535 9.1283 9.1283 9.2462 9.2462 9.4263 9.4263 9.4884 9.4884 9.6579 9.6579 9.7342 9.7342 10.5370 10.5370 k = 0.4615 0.3553-0.0000 ( 6948 PWs) bands (ev): -68.8057 -68.8057 -68.7993 -68.7993 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2392 0.2392 0.6834 0.6834 4.6541 4.6541 6.6062 6.6062 7.0208 7.0208 7.0832 7.0832 7.3007 7.3007 7.3433 7.3433 8.1951 8.1951 9.1447 9.1447 9.2492 9.2492 9.4415 9.4415 9.4871 9.4871 9.6558 9.6558 9.7326 9.7326 10.5560 10.5560 k = 0.4551 0.3664-0.0000 ( 6947 PWs) bands (ev): -68.8062 -68.8062 -68.7988 -68.7988 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2484 0.2484 0.6887 0.6887 4.6558 4.6558 6.5736 6.5736 7.0036 7.0036 7.0801 7.0801 7.2386 7.2386 7.3780 7.3780 8.2332 8.2332 9.1618 9.1618 9.2507 9.2507 9.4613 9.4613 9.4841 9.4841 9.6528 9.6528 9.7327 9.7327 10.5805 10.5805 k = 0.4487 0.3775-0.0000 ( 6943 PWs) bands (ev): -68.8068 -68.8068 -68.7977 -68.7977 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4232 -37.4232 -37.3066 -37.3066 -37.2968 -37.2968 0.2590 0.2590 0.6946 0.6946 4.6571 4.6571 6.5391 6.5391 6.9581 6.9581 7.0876 7.0876 7.1961 7.1961 7.4170 7.4170 8.2654 8.2654 9.1768 9.1768 9.2560 9.2560 9.4793 9.4793 9.4862 9.4862 9.6499 9.6499 9.7310 9.7310 10.6064 10.6064 k = 0.4423 0.3886-0.0000 ( 6943 PWs) bands (ev): -68.8068 -68.8068 -68.7977 -68.7977 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4232 -37.4232 -37.3066 -37.3066 -37.2968 -37.2968 0.2710 0.2710 0.7009 0.7009 4.6581 4.6581 6.5028 6.5028 6.8911 6.8911 7.0980 7.0980 7.1743 7.1743 7.4563 7.4563 8.2930 8.2930 9.1896 9.1896 9.2646 9.2646 9.4786 9.4786 9.5080 9.5080 9.6485 9.6485 9.7302 9.7302 10.6341 10.6341 k = 0.4359 0.3997-0.0000 ( 6941 PWs) bands (ev): -68.8063 -68.8063 -68.7980 -68.7980 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4232 -37.4232 -37.3066 -37.3066 -37.2968 -37.2968 0.2843 0.2843 0.7073 0.7073 4.6585 4.6585 6.4645 6.4645 6.8147 6.8147 7.1083 7.1083 7.1660 7.1660 7.4950 7.4950 8.3145 8.3145 9.2013 9.2013 9.2773 9.2773 9.4779 9.4779 9.5377 9.5377 9.6476 9.6476 9.7357 9.7357 10.6636 10.6636 k = 0.4295 0.4108-0.0000 ( 6949 PWs) bands (ev): -68.8063 -68.8063 -68.7991 -68.7991 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4232 -37.4232 -37.3066 -37.3066 -37.2969 -37.2969 0.2988 0.2988 0.7138 0.7138 4.6576 4.6576 6.4245 6.4245 6.7368 6.7368 7.1194 7.1194 7.1661 7.1661 7.5338 7.5338 8.3344 8.3344 9.2085 9.2085 9.2882 9.2882 9.4745 9.4745 9.5581 9.5581 9.6467 9.6467 9.7335 9.7335 10.6908 10.6908 k = 0.4231 0.4219-0.0000 ( 6953 PWs) bands (ev): -68.8069 -68.8069 -68.7991 -68.7991 -38.6102 -38.6102 -38.5789 -38.5789 -37.4722 -37.4722 -37.4232 -37.4232 -37.3067 -37.3067 -37.2969 -37.2969 0.3146 0.3146 0.7201 0.7201 4.6557 4.6557 6.3835 6.3835 6.6627 6.6627 7.1286 7.1286 7.1734 7.1734 7.5729 7.5729 8.3513 8.3513 9.2126 9.2126 9.2982 9.2982 9.4713 9.4713 9.5804 9.5804 9.6474 9.6474 9.7334 9.7334 10.7209 10.7209 k = 0.4167 0.4330-0.0000 ( 6963 PWs) bands (ev): -68.8078 -68.8078 -68.7997 -68.7997 -38.6102 -38.6102 -38.5789 -38.5789 -37.4722 -37.4722 -37.4232 -37.4232 -37.3067 -37.3067 -37.2969 -37.2969 0.3316 0.3316 0.7260 0.7260 4.6524 4.6524 6.3400 6.3400 6.5939 6.5939 7.1357 7.1357 7.1857 7.1857 7.6104 7.6104 8.3639 8.3639 9.2153 9.2153 9.3068 9.3068 9.4647 9.4647 9.5972 9.5972 9.6487 9.6487 9.7385 9.7385 10.7505 10.7505 k = 0.4103 0.4441-0.0000 ( 6963 PWs) bands (ev): -68.8078 -68.8078 -68.7997 -68.7997 -38.6102 -38.6102 -38.5789 -38.5789 -37.4722 -37.4722 -37.4232 -37.4232 -37.3067 -37.3067 -37.2969 -37.2969 0.3497 0.3497 0.7312 0.7312 4.6475 4.6475 6.2958 6.2958 6.5331 6.5331 7.1422 7.1422 7.2011 7.2011 7.6477 7.6477 8.3766 8.3766 9.2185 9.2185 9.3159 9.3159 9.4606 9.4606 9.6088 9.6088 9.6560 9.6560 9.7531 9.7531 10.7803 10.7803 k = 0.4038 0.4552-0.0000 ( 6979 PWs) bands (ev): -68.8083 -68.8083 -68.8013 -68.8013 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.3690 0.3690 0.7356 0.7356 4.6406 4.6406 6.2501 6.2501 6.4789 6.4789 7.1482 7.1482 7.2143 7.2143 7.6824 7.6824 8.3866 8.3866 9.2194 9.2194 9.3213 9.3213 9.4546 9.4546 9.6119 9.6119 9.6604 9.6604 9.7754 9.7754 10.8089 10.8089 k = 0.3974 0.4663-0.0000 ( 6975 PWs) bands (ev): -68.8084 -68.8084 -68.8008 -68.8008 -38.6102 -38.6102 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.3893 0.3893 0.7387 0.7387 4.6320 4.6320 6.2063 6.2063 6.4330 6.4330 7.1555 7.1555 7.2320 7.2320 7.7166 7.7166 8.3961 8.3961 9.2217 9.2217 9.3270 9.3270 9.4513 9.4513 9.6153 9.6153 9.6647 9.6647 9.8100 9.8100 10.8373 10.8373 k = 0.3910 0.4774-0.0000 ( 6973 PWs) bands (ev): -68.8086 -68.8086 -68.8002 -68.8002 -38.6102 -38.6102 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2969 -37.2969 0.4106 0.4106 0.7404 0.7404 4.6216 4.6216 6.1650 6.1650 6.3935 6.3935 7.1638 7.1638 7.2490 7.2490 7.7486 7.7486 8.4032 8.4032 9.2220 9.2220 9.3327 9.3327 9.4455 9.4455 9.6145 9.6145 9.6651 9.6651 9.8540 9.8540 10.8636 10.8636 k = 0.3846 0.4885-0.0000 ( 6965 PWs) bands (ev): -68.8075 -68.8075 -68.8002 -68.8002 -38.6102 -38.6102 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.4329 0.4329 0.7402 0.7402 4.6098 4.6098 6.1276 6.1276 6.3592 6.3592 7.1726 7.1726 7.2647 7.2647 7.7782 7.7782 8.4126 8.4126 9.2275 9.2275 9.3397 9.3397 9.4394 9.4394 9.6158 9.6158 9.6697 9.6697 9.8981 9.8981 10.8857 10.8857 k = 0.3782 0.4996-0.0000 ( 6973 PWs) bands (ev): -68.8076 -68.8076 -68.8013 -68.8013 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.4560 0.4560 0.7379 0.7379 4.5965 4.5965 6.0948 6.0948 6.3290 6.3290 7.1810 7.1810 7.2778 7.2778 7.8048 7.8048 8.4186 8.4186 9.2294 9.2294 9.3410 9.3410 9.4319 9.4319 9.6158 9.6158 9.6683 9.6683 9.9377 9.9377 10.8804 10.8804 k = 0.3718 0.5107-0.0000 ( 6985 PWs) bands (ev): -68.8081 -68.8081 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.4800 0.4800 0.7331 0.7331 4.5822 4.5822 6.0673 6.0673 6.3016 6.3016 7.1909 7.1909 7.2885 7.2885 7.8282 7.8282 8.4217 8.4217 9.2295 9.2295 9.3378 9.3378 9.4250 9.4250 9.6155 9.6155 9.6660 9.6660 9.9857 9.9857 10.8075 10.8075 k = 0.3654 0.5218-0.0000 ( 6985 PWs) bands (ev): -68.8081 -68.8081 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.5046 0.5046 0.7255 0.7255 4.5681 4.5681 6.0465 6.0465 6.2789 6.2789 7.2020 7.2020 7.2978 7.2978 7.8486 7.8486 8.4260 8.4260 9.2314 9.2314 9.3369 9.3369 9.4183 9.4183 9.6156 9.6156 9.6638 9.6638 10.0393 10.0393 10.7251 10.7251 k = 0.3590 0.5329-0.0000 ( 6977 PWs) bands (ev): -68.8081 -68.8081 -68.8013 -68.8013 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.5300 0.5300 0.7149 0.7149 4.5547 4.5547 6.0312 6.0312 6.2610 6.2610 7.2152 7.2152 7.3043 7.3043 7.8658 7.8658 8.4296 8.4296 9.2334 9.2334 9.3353 9.3353 9.4131 9.4131 9.6163 9.6163 9.6620 9.6620 10.1021 10.1021 10.6453 10.6453 k = 0.3526 0.5440-0.0000 ( 6983 PWs) bands (ev): -68.8078 -68.8078 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.5560 0.5560 0.7009 0.7009 4.5429 4.5429 6.0200 6.0200 6.2454 6.2454 7.2277 7.2277 7.3059 7.3059 7.8790 7.8790 8.4328 8.4328 9.2374 9.2374 9.3341 9.3341 9.4002 9.4002 9.6175 9.6175 9.6598 9.6598 10.1582 10.1582 10.5641 10.5641 k = 0.3462 0.5551-0.0000 ( 6979 PWs) bands (ev): -68.8078 -68.8078 -68.8019 -68.8019 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4233 -37.4233 -37.3068 -37.3068 -37.2970 -37.2970 0.5825 0.5825 0.6833 0.6833 4.5336 4.5336 6.0139 6.0139 6.2348 6.2348 7.2410 7.2410 7.3047 7.3047 7.8885 7.8885 8.4321 8.4321 9.2420 9.2420 9.3342 9.3342 9.3966 9.3966 9.6176 9.6176 9.6563 9.6563 10.2175 10.2175 10.4917 10.4917 k = 0.3397 0.5662-0.0000 ( 6977 PWs) bands (ev): -68.8070 -68.8070 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.6093 0.6093 0.6619 0.6619 4.5275 4.5275 6.0104 6.0104 6.2274 6.2274 7.2535 7.2535 7.2984 7.2984 7.8941 7.8941 8.4340 8.4340 9.2446 9.2446 9.3355 9.3355 9.3934 9.3934 9.6209 9.6209 9.6600 9.6600 10.2755 10.2755 10.4196 10.4196 k = 0.3333 0.5774-0.0000 ( 6969 PWs) bands (ev): -68.8058 -68.8058 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.6351 0.6351 0.6380 0.6380 4.5253 4.5253 6.0096 6.0096 6.2250 6.2250 7.2608 7.2608 7.2939 7.2939 7.8960 7.8960 8.4369 8.4369 9.2461 9.2461 9.3358 9.3358 9.3923 9.3923 9.6282 9.6282 9.6654 9.6654 10.3179 10.3179 10.3742 10.3742 k = 0.3333 0.5774-0.0000 ( 6969 PWs) bands (ev): -68.8058 -68.8058 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.6351 0.6351 0.6380 0.6380 4.5253 4.5253 6.0096 6.0096 6.2250 6.2250 7.2608 7.2608 7.2939 7.2939 7.8960 7.8960 8.4369 8.4369 9.2461 9.2461 9.3358 9.3358 9.3923 9.3923 9.6282 9.6282 9.6654 9.6654 10.3179 10.3179 10.3742 10.3742 k = 0.3268 0.5660-0.0000 ( 6973 PWs) bands (ev): -68.8064 -68.8064 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.6066 0.6066 0.6646 0.6646 4.5278 4.5278 6.0102 6.0102 6.2276 6.2276 7.2506 7.2506 7.3012 7.3012 7.8941 7.8941 8.4352 8.4352 9.2450 9.2450 9.3362 9.3362 9.3935 9.3935 9.6241 9.6241 9.6633 9.6633 10.2760 10.2760 10.4194 10.4194 k = 0.3203 0.5547-0.0000 ( 6975 PWs) bands (ev): -68.8072 -68.8072 -68.8019 -68.8019 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.5724 0.5724 0.6926 0.6926 4.5355 4.5355 6.0114 6.0114 6.2353 6.2353 7.2270 7.2270 7.3182 7.3182 7.8888 7.8888 8.4323 8.4323 9.2392 9.2392 9.3352 9.3352 9.3982 9.3982 9.6217 9.6217 9.6643 9.6643 10.2224 10.2224 10.4901 10.4901 k = 0.3137 0.5434-0.0000 ( 6979 PWs) bands (ev): -68.8078 -68.8078 -68.8019 -68.8019 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.5341 0.5341 0.7207 0.7207 4.5494 4.5494 6.0131 6.0131 6.2484 6.2484 7.1942 7.1942 7.3371 7.3371 7.8803 7.8803 8.4300 8.4300 9.2354 9.2354 9.3386 9.3386 9.4045 9.4045 9.6175 9.6175 9.6636 9.6636 10.1699 10.1699 10.5600 10.5600 k = 0.3072 0.5321-0.0000 ( 6979 PWs) bands (ev): -68.8072 -68.8072 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.4918 0.4918 0.7488 0.7488 4.5695 4.5695 6.0151 6.0151 6.2663 6.2663 7.1537 7.1537 7.3560 7.3560 7.8690 7.8690 8.4309 8.4309 9.2313 9.2313 9.3458 9.3458 9.4151 9.4151 9.6178 9.6178 9.6689 9.6689 10.1203 10.1203 10.6264 10.6264 k = 0.3007 0.5207-0.0000 ( 6979 PWs) bands (ev): -68.8072 -68.8072 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.4456 0.4456 0.7767 0.7767 4.5960 4.5960 6.0174 6.0174 6.2882 6.2882 7.1074 7.1074 7.3778 7.3778 7.8556 7.8556 8.4268 8.4268 9.2263 9.2263 9.3549 9.3549 9.4243 9.4243 9.6166 9.6166 9.6734 9.6734 10.0799 10.0799 10.6996 10.6996 k = 0.2941 0.5094-0.0000 ( 6991 PWs) bands (ev): -68.8083 -68.8083 -68.8030 -68.8030 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.3957 0.3957 0.8042 0.8042 4.6289 4.6289 6.0197 6.0197 6.3132 6.3132 7.0549 7.0549 7.3997 7.3997 7.8404 7.8404 8.4202 8.4202 9.2161 9.2161 9.3637 9.3637 9.4335 9.4335 9.6140 9.6140 9.6721 9.6721 10.0458 10.0458 10.7709 10.7709 k = 0.2876 0.4981-0.0000 ( 6981 PWs) bands (ev): -68.8080 -68.8080 -68.8018 -68.8018 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2970 -37.2970 0.3425 0.3425 0.8315 0.8315 4.6687 4.6687 6.0241 6.0241 6.3419 6.3419 6.9975 6.9975 7.4253 7.4253 7.8249 7.8249 8.4143 8.4143 9.2095 9.2095 9.3797 9.3797 9.4454 9.4454 9.6143 9.6143 9.6798 9.6798 10.0201 10.0201 10.8503 10.8503 k = 0.2810 0.4868-0.0000 ( 6961 PWs) bands (ev): -68.8063 -68.8063 -68.8007 -68.8007 -38.6102 -38.6102 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3067 -37.3067 -37.2970 -37.2970 0.2863 0.2863 0.8583 0.8583 4.7150 4.7150 6.0291 6.0291 6.3729 6.3729 6.9353 6.9353 7.4527 7.4527 7.8090 7.8090 8.4122 8.4122 9.2078 9.2078 9.3951 9.3951 9.4572 9.4572 9.6246 9.6246 9.6914 9.6914 10.0011 10.0011 10.9307 10.9307 k = 0.2745 0.4755-0.0000 ( 6961 PWs) bands (ev): -68.8057 -68.8057 -68.8013 -68.8013 -38.6103 -38.6103 -38.5788 -38.5788 -37.4723 -37.4723 -37.4231 -37.4231 -37.3067 -37.3067 -37.2970 -37.2970 0.2273 0.2273 0.8844 0.8844 4.7677 4.7677 6.0346 6.0346 6.4042 6.4042 6.8695 6.8695 7.4769 7.4769 7.7930 7.7930 8.4059 8.4059 9.2029 9.2029 9.4151 9.4151 9.4625 9.4625 9.6238 9.6238 9.6969 9.6969 9.9906 9.9906 11.0012 11.0012 k = 0.2680 0.4641-0.0000 ( 6955 PWs) bands (ev): -68.8054 -68.8054 -68.8007 -68.8007 -38.6102 -38.6102 -38.5788 -38.5788 -37.4723 -37.4723 -37.4231 -37.4231 -37.3066 -37.3066 -37.2969 -37.2969 0.1659 0.1659 0.9098 0.9098 4.8266 4.8266 6.0416 6.0416 6.4364 6.4364 6.8015 6.8015 7.5038 7.5038 7.7785 7.7785 8.3975 8.3975 9.1993 9.1993 9.4328 9.4328 9.4677 9.4677 9.6238 9.6238 9.7019 9.7019 9.9899 9.9899 11.0748 11.0748 k = 0.2614 0.4528-0.0000 ( 6953 PWs) bands (ev): -68.8057 -68.8057 -68.8002 -68.8002 -38.6102 -38.6102 -38.5788 -38.5788 -37.4723 -37.4723 -37.4231 -37.4231 -37.3066 -37.3066 -37.2969 -37.2969 0.1024 0.1024 0.9344 0.9344 4.8910 4.8910 6.0492 6.0492 6.4668 6.4668 6.7341 6.7341 7.5297 7.5297 7.7656 7.7656 8.3864 8.3864 9.1939 9.1939 9.4429 9.4429 9.4710 9.4710 9.6291 9.6291 9.7062 9.7062 10.0020 10.0020 11.1418 11.1418 k = 0.2549 0.4415-0.0000 ( 6945 PWs) bands (ev): -68.8057 -68.8057 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.0372 0.0372 0.9581 0.9581 4.9614 4.9614 6.0580 6.0580 6.4902 6.4902 6.6719 6.6719 7.5548 7.5548 7.7565 7.7565 8.3759 8.3759 9.1907 9.1907 9.4574 9.4574 9.4813 9.4813 9.6294 9.6294 9.7115 9.7115 10.0190 10.0190 11.2034 11.2034 k = 0.2484 0.4302-0.0000 ( 6949 PWs) bands (ev): -68.8062 -68.8062 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 -0.0293 -0.0293 0.9809 0.9809 5.0371 5.0371 6.0670 6.0670 6.4923 6.4923 6.6308 6.6308 7.5769 7.5769 7.7523 7.7523 8.3646 8.3646 9.1884 9.1884 9.4554 9.4554 9.4905 9.4905 9.6267 9.6267 9.7086 9.7086 10.0444 10.0444 11.2579 11.2579 k = 0.2418 0.4189-0.0000 ( 6951 PWs) bands (ev): -68.8062 -68.8062 -68.7993 -68.7993 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 -0.0969 -0.0969 1.0025 1.0025 5.1180 5.1180 6.0743 6.0743 6.4560 6.4560 6.6288 6.6288 7.5956 7.5956 7.7537 7.7537 8.3561 8.3561 9.1852 9.1852 9.4476 9.4476 9.5092 9.5092 9.6246 9.6246 9.7081 9.7081 10.0746 10.0746 11.3056 11.3056 k = 0.2353 0.4075-0.0000 ( 6947 PWs) bands (ev): -68.8056 -68.8056 -68.7993 -68.7993 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 -0.1652 -0.1652 1.0231 1.0231 5.2038 5.2038 6.0785 6.0785 6.4004 6.4004 6.6504 6.6504 7.6093 7.6093 7.7636 7.7636 8.3441 8.3441 9.1852 9.1852 9.4385 9.4385 9.5338 9.5338 9.6267 9.6267 9.7092 9.7092 10.1096 10.1096 11.3501 11.3501 k = 0.2288 0.3962-0.0000 ( 6959 PWs) bands (ev): -68.8067 -68.8067 -68.7999 -68.7999 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3065 -37.3065 -37.2968 -37.2968 -0.2340 -0.2340 1.0424 1.0424 5.2936 5.2936 6.0744 6.0744 6.3461 6.3461 6.6786 6.6786 7.6171 7.6171 7.7809 7.7809 8.3308 8.3308 9.1809 9.1809 9.4238 9.4238 9.5530 9.5530 9.6215 9.6215 9.7069 9.7069 10.1477 10.1477 11.3908 11.3908 k = 0.2222 0.3849-0.0000 ( 6947 PWs) bands (ev): -68.8061 -68.8061 -68.7987 -68.7987 -38.6102 -38.6102 -38.5787 -38.5787 -37.4722 -37.4722 -37.4231 -37.4231 -37.3064 -37.3064 -37.2967 -37.2967 -0.3028 -0.3028 1.0606 1.0606 5.3877 5.3877 6.0559 6.0559 6.3062 6.3062 6.7101 6.7101 7.6230 7.6230 7.8091 7.8091 8.3178 8.3178 9.1836 9.1836 9.4119 9.4119 9.5774 9.5774 9.6273 9.6273 9.7093 9.7093 10.1904 10.1904 11.4347 11.4347 k = 0.2157 0.3736-0.0000 ( 6951 PWs) bands (ev): -68.8072 -68.8072 -68.7982 -68.7982 -38.6101 -38.6101 -38.5787 -38.5787 -37.4722 -37.4722 -37.4231 -37.4231 -37.3064 -37.3064 -37.2966 -37.2966 -0.3717 -0.3717 1.0775 1.0775 5.4847 5.4847 6.0178 6.0178 6.2873 6.2873 6.7413 6.7413 7.6281 7.6281 7.8403 7.8403 8.3036 8.3036 9.1860 9.1860 9.3930 9.3930 9.5922 9.5922 9.6281 9.6281 9.7063 9.7063 10.2342 10.2342 11.4784 11.4784 k = 0.2092 0.3623-0.0000 ( 6943 PWs) bands (ev): -68.8066 -68.8066 -68.7976 -68.7976 -38.6101 -38.6101 -38.5787 -38.5787 -37.4721 -37.4721 -37.4231 -37.4231 -37.3063 -37.3063 -37.2966 -37.2966 -0.4402 -0.4402 1.0932 1.0932 5.5841 5.5841 5.9640 5.9640 6.2868 6.2868 6.7713 6.7713 7.6324 7.6324 7.8765 7.8765 8.2936 8.2936 9.1923 9.1923 9.3773 9.3773 9.6086 9.6086 9.6391 9.6391 9.7085 9.7085 10.2777 10.2777 11.5220 11.5220 k = 0.2026 0.3509-0.0000 ( 6941 PWs) bands (ev): -68.8069 -68.8069 -68.7970 -68.7970 -38.6101 -38.6101 -38.5787 -38.5787 -37.4721 -37.4721 -37.4231 -37.4231 -37.3063 -37.3063 -37.2966 -37.2966 -0.5081 -0.5081 1.1076 1.1076 5.6812 5.6812 5.9059 5.9059 6.2986 6.2986 6.8014 6.8014 7.6387 7.6387 7.9134 7.9134 8.2813 8.2813 9.1975 9.1975 9.3574 9.3574 9.6115 9.6115 9.6570 9.6570 9.7113 9.7113 10.3241 10.3241 11.5678 11.5678 k = 0.1961 0.3396-0.0000 ( 6937 PWs) bands (ev): -68.8064 -68.8064 -68.7970 -68.7970 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3062 -37.3062 -37.2965 -37.2965 -0.5753 -0.5753 1.1206 1.1206 5.7482 5.7482 5.8756 5.8756 6.3170 6.3170 6.8298 6.8298 7.6452 7.6452 7.9511 7.9511 8.2695 8.2695 9.2084 9.2084 9.3417 9.3417 9.6164 9.6164 9.6757 9.6757 9.7204 9.7204 10.3655 10.3655 11.6129 11.6129 k = 0.1895 0.3283-0.0000 ( 6945 PWs) bands (ev): -68.8069 -68.8069 -68.7975 -68.7975 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3062 -37.3062 -37.2965 -37.2965 -0.6415 -0.6415 1.1323 1.1323 5.7195 5.7195 5.9408 5.9408 6.3396 6.3396 6.8549 6.8549 7.6549 7.6549 7.9883 7.9883 8.2568 8.2568 9.2155 9.2155 9.3235 9.3235 9.6178 9.6178 9.6850 9.6850 9.7345 9.7345 10.4043 10.4043 11.6568 11.6568 k = 0.1830 0.3170-0.0000 ( 6933 PWs) bands (ev): -68.8059 -68.8059 -68.7970 -68.7970 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3061 -37.3061 -37.2964 -37.2964 -0.7066 -0.7066 1.1429 1.1429 5.6543 5.6543 6.0447 6.0447 6.3660 6.3660 6.8788 6.8788 7.6696 7.6696 8.0298 8.0298 8.2470 8.2470 9.2279 9.2279 9.3090 9.3090 9.6243 9.6243 9.6927 9.6927 9.7629 9.7629 10.4437 10.4437 11.7028 11.7028 k = 0.1765 0.3057-0.0000 ( 6937 PWs) bands (ev): -68.8064 -68.8064 -68.7969 -68.7969 -38.6101 -38.6101 -38.5786 -38.5786 -37.4721 -37.4721 -37.4230 -37.4230 -37.3060 -37.3060 -37.2964 -37.2964 -0.7705 -0.7705 1.1522 1.1522 5.5835 5.5835 6.1549 6.1549 6.3934 6.3934 6.9003 6.9003 7.6860 7.6860 8.0712 8.0712 8.2377 8.2377 9.2363 9.2363 9.2916 9.2916 9.6256 9.6256 9.6951 9.6951 9.7877 9.7877 10.4814 10.4814 11.7451 11.7451 k = 0.1699 0.2943-0.0000 ( 6941 PWs) bands (ev): -68.8065 -68.8065 -68.7975 -68.7975 -38.6101 -38.6101 -38.5785 -38.5785 -37.4721 -37.4721 -37.4229 -37.4229 -37.3060 -37.3060 -37.2964 -37.2964 -0.8329 -0.8329 1.1602 1.1602 5.5120 5.5120 6.2671 6.2671 6.4233 6.4233 6.9199 6.9199 7.7031 7.7031 8.1119 8.1119 8.2328 8.2328 9.2472 9.2472 9.2735 9.2735 9.6247 9.6247 9.6993 9.6993 9.8168 9.8168 10.5175 10.5175 11.7834 11.7834 k = 0.1634 0.2830-0.0000 ( 6941 PWs) bands (ev): -68.8059 -68.8059 -68.7980 -68.7980 -38.6101 -38.6101 -38.5785 -38.5785 -37.4721 -37.4721 -37.4229 -37.4229 -37.3059 -37.3059 -37.2964 -37.2964 -0.8938 -0.8938 1.1671 1.1671 5.4411 5.4411 6.3763 6.3763 6.4585 6.4585 6.9393 6.9393 7.7236 7.7236 8.1495 8.1495 8.2292 8.2292 9.2542 9.2542 9.2657 9.2657 9.6283 9.6283 9.7012 9.7012 9.8498 9.8498 10.5506 10.5506 11.8191 11.8191 k = 0.1569 0.2717-0.0000 ( 6933 PWs) bands (ev): -68.8059 -68.8059 -68.7969 -68.7969 -38.6100 -38.6100 -38.5785 -38.5785 -37.4721 -37.4721 -37.4229 -37.4229 -37.3058 -37.3058 -37.2963 -37.2963 -0.9531 -0.9531 1.1729 1.1729 5.3717 5.3717 6.4572 6.4572 6.5211 6.5211 6.9572 6.9572 7.7493 7.7493 8.1842 8.1842 8.2362 8.2362 9.2450 9.2450 9.2799 9.2799 9.6319 9.6319 9.7031 9.7031 9.8818 9.8818 10.5873 10.5873 11.8523 11.8523 k = 0.1503 0.2604-0.0000 ( 6933 PWs) bands (ev): -68.8054 -68.8054 -68.7975 -68.7975 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4229 -37.4229 -37.3057 -37.3057 -37.2962 -37.2962 -1.0105 -1.0105 1.1777 1.1777 5.3040 5.3040 6.4969 6.4969 6.6230 6.6230 6.9761 6.9761 7.7777 7.7777 8.2002 8.2002 8.2634 8.2634 9.2247 9.2247 9.3019 9.3019 9.6328 9.6328 9.7030 9.7030 9.9132 9.9132 10.6161 10.6161 11.8812 11.8812 k = 0.1438 0.2491-0.0000 ( 6931 PWs) bands (ev): -68.8051 -68.8051 -68.7975 -68.7975 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4229 -37.4229 -37.3057 -37.3057 -37.2962 -37.2962 -1.0661 -1.0661 1.1816 1.1816 5.2383 5.2383 6.5280 6.5280 6.7283 6.7283 6.9961 6.9961 7.8095 7.8095 8.2041 8.2041 8.3028 8.3028 9.2083 9.2083 9.3230 9.3230 9.6363 9.6363 9.7040 9.7040 9.9475 9.9475 10.6449 10.6449 11.9079 11.9079 k = 0.1373 0.2377-0.0000 ( 6927 PWs) bands (ev): -68.8046 -68.8046 -68.7974 -68.7974 -38.6100 -38.6100 -38.5784 -38.5784 -37.4721 -37.4721 -37.4228 -37.4228 -37.3056 -37.3056 -37.2962 -37.2962 -1.1198 -1.1198 1.1846 1.1846 5.1748 5.1748 6.5570 6.5570 6.8235 6.8235 7.0235 7.0235 7.8444 7.8444 8.2067 8.2067 8.3484 8.3484 9.1890 9.1890 9.3446 9.3446 9.6440 9.6440 9.7072 9.7072 9.9832 9.9832 10.6719 10.6719 11.9328 11.9328 k = 0.1307 0.2264-0.0000 ( 6927 PWs) bands (ev): -68.8051 -68.8051 -68.7969 -68.7969 -38.6100 -38.6100 -38.5784 -38.5784 -37.4720 -37.4720 -37.4228 -37.4228 -37.3055 -37.3055 -37.2961 -37.2961 -1.1714 -1.1714 1.1867 1.1867 5.1136 5.1136 6.5835 6.5835 6.8955 6.8955 7.0700 7.0700 7.8819 7.8819 8.2099 8.2099 8.3932 8.3932 9.1784 9.1784 9.3689 9.3689 9.6466 9.6466 9.7063 9.7063 10.0159 10.0159 10.6991 10.6991 11.9545 11.9545 k = 0.1242 0.2151-0.0000 ( 6927 PWs) bands (ev): -68.8057 -68.8057 -68.7963 -68.7963 -38.6100 -38.6100 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3055 -37.3055 -37.2960 -37.2960 -1.2209 -1.2209 1.1882 1.1882 5.0549 5.0549 6.6093 6.6093 6.9366 6.9366 7.1421 7.1421 7.9213 7.9213 8.2140 8.2140 8.4408 8.4408 9.1642 9.1642 9.3958 9.3958 9.6481 9.6481 9.7062 9.7062 10.0516 10.0516 10.7246 10.7246 11.9762 11.9762 k = 0.1176 0.2038-0.0000 ( 6927 PWs) bands (ev): -68.8057 -68.8057 -68.7963 -68.7963 -38.6100 -38.6100 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3054 -37.3054 -37.2960 -37.2960 -1.2681 -1.2681 1.1890 1.1890 4.9989 4.9989 6.6340 6.6340 6.9574 6.9574 7.2284 7.2284 7.9647 7.9647 8.2230 8.2230 8.4854 8.4854 9.1468 9.1468 9.4260 9.4260 9.6561 9.6561 9.7039 9.7039 10.0883 10.0883 10.7457 10.7457 11.9985 11.9985 k = 0.1111 0.1925-0.0000 ( 6921 PWs) bands (ev): -68.8054 -68.8054 -68.7957 -68.7957 -38.6099 -38.6099 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3054 -37.3054 -37.2959 -37.2959 -1.3132 -1.3132 1.1893 1.1893 4.9454 4.9454 6.6580 6.6580 6.9687 6.9687 7.3180 7.3180 8.0097 8.0097 8.2373 8.2373 8.5312 8.5312 9.1335 9.1335 9.4600 9.4600 9.6590 9.6590 9.7055 9.7055 10.1271 10.1271 10.7658 10.7658 12.0227 12.0227 k = 0.1046 0.1811-0.0000 ( 6917 PWs) bands (ev): -68.8054 -68.8054 -68.7952 -68.7952 -38.6099 -38.6099 -38.5783 -38.5783 -37.4720 -37.4720 -37.4228 -37.4228 -37.3053 -37.3053 -37.2959 -37.2959 -1.3559 -1.3559 1.1890 1.1890 4.8947 4.8947 6.6795 6.6795 6.9758 6.9758 7.4027 7.4027 8.0533 8.0533 8.2533 8.2533 8.5769 8.5769 9.1234 9.1234 9.4984 9.4984 9.6639 9.6639 9.7068 9.7068 10.1638 10.1638 10.7870 10.7870 12.0457 12.0457 k = 0.0980 0.1698-0.0000 ( 6909 PWs) bands (ev): -68.8048 -68.8048 -68.7946 -68.7946 -38.6099 -38.6099 -38.5782 -38.5782 -37.4720 -37.4720 -37.4227 -37.4227 -37.3052 -37.3052 -37.2958 -37.2958 -1.3963 -1.3963 1.1883 1.1883 4.8467 4.8467 6.6996 6.6996 6.9809 6.9809 7.4822 7.4822 8.0983 8.0983 8.2753 8.2753 8.6224 8.6224 9.1119 9.1119 9.5410 9.5410 9.6726 9.6726 9.7093 9.7093 10.2010 10.2010 10.8045 10.8045 12.0710 12.0710 k = 0.0915 0.1585-0.0000 ( 6901 PWs) bands (ev): -68.8042 -68.8042 -68.7940 -68.7940 -38.6099 -38.6099 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3052 -37.3052 -37.2958 -37.2958 -1.4342 -1.4342 1.1873 1.1873 4.8017 4.8017 6.7188 6.7188 6.9851 6.9851 7.5525 7.5525 8.1446 8.1446 8.2993 8.2993 8.6668 8.6668 9.1002 9.1002 9.5857 9.5857 9.6814 9.6814 9.7133 9.7133 10.2396 10.2396 10.8201 10.8201 12.1004 12.1004 k = 0.0850 0.1472-0.0000 ( 6901 PWs) bands (ev): -68.8048 -68.8048 -68.7934 -68.7934 -38.6099 -38.6099 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3051 -37.3051 -37.2957 -37.2957 -1.4697 -1.4697 1.1860 1.1860 4.7598 4.7598 6.7351 6.7351 6.9866 6.9866 7.6127 7.6127 8.1891 8.1891 8.3238 8.3238 8.7113 8.7113 9.0897 9.0897 9.6245 9.6245 9.6899 9.6899 9.7164 9.7164 10.2771 10.2771 10.8417 10.8417 12.1314 12.1314 k = 0.0784 0.1358-0.0000 ( 6899 PWs) bands (ev): -68.8053 -68.8053 -68.7925 -68.7925 -38.6098 -38.6098 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3051 -37.3051 -37.2957 -37.2957 -1.5028 -1.5028 1.1845 1.1845 4.7206 4.7206 6.7493 6.7493 6.9873 6.9873 7.6626 7.6626 8.2371 8.2371 8.3518 8.3518 8.7515 8.7515 9.0836 9.0836 9.6513 9.6513 9.7026 9.7026 9.7373 9.7373 10.3138 10.3138 10.8554 10.8554 12.1653 12.1653 k = 0.0719 0.1245-0.0000 ( 6895 PWs) bands (ev): -68.8053 -68.8053 -68.7919 -68.7919 -38.6098 -38.6098 -38.5782 -38.5782 -37.4719 -37.4719 -37.4227 -37.4227 -37.3051 -37.3051 -37.2956 -37.2956 -1.5333 -1.5333 1.1829 1.1829 4.6844 4.6844 6.7627 6.7627 6.9901 6.9901 7.7057 7.7057 8.2808 8.2808 8.3805 8.3805 8.7922 8.7922 9.0765 9.0765 9.6608 9.6608 9.7064 9.7064 9.7825 9.7825 10.3528 10.3528 10.8693 10.8693 12.2047 12.2047 k = 0.0654 0.1132-0.0000 ( 6895 PWs) bands (ev): -68.8058 -68.8058 -68.7914 -68.7914 -38.6098 -38.6098 -38.5781 -38.5781 -37.4719 -37.4719 -37.4227 -37.4227 -37.3050 -37.3050 -37.2955 -37.2955 -1.5613 -1.5613 1.1812 1.1812 4.6512 4.6512 6.7736 6.7736 6.9907 6.9907 7.7388 7.7388 8.3230 8.3230 8.4083 8.4083 8.8286 8.8286 9.0733 9.0733 9.6659 9.6659 9.7086 9.7086 9.8359 9.8359 10.3926 10.3926 10.8819 10.8819 12.2484 12.2484 k = 0.0588 0.1019-0.0000 ( 6889 PWs) bands (ev): -68.8055 -68.8055 -68.7908 -68.7908 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3050 -37.3050 -37.2955 -37.2955 -1.5866 -1.5866 1.1795 1.1795 4.6212 4.6212 6.7836 6.7836 6.9927 6.9927 7.7659 7.7659 8.3647 8.3647 8.4357 8.4357 8.8649 8.8649 9.0672 9.0672 9.6713 9.6713 9.7132 9.7132 9.8923 9.8923 10.4343 10.4343 10.8926 10.8926 12.2972 12.2972 k = 0.0523 0.0906-0.0000 ( 6881 PWs) bands (ev): -68.8055 -68.8055 -68.7896 -68.7896 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2955 -37.2955 -1.6094 -1.6094 1.1778 1.1778 4.5947 4.5947 6.7921 6.7921 6.9946 6.9946 7.7878 7.7878 8.4034 8.4034 8.4610 8.4610 8.9001 8.9001 9.0612 9.0612 9.6749 9.6749 9.7149 9.7149 9.9466 9.9466 10.4779 10.4779 10.9100 10.9100 12.3496 12.3496 k = 0.0458 0.0792-0.0000 ( 6879 PWs) bands (ev): -68.8055 -68.8055 -68.7893 -68.7893 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6295 -1.6295 1.1762 1.1762 4.5708 4.5708 6.7991 6.7991 6.9966 6.9966 7.8051 7.8051 8.4395 8.4395 8.4835 8.4835 8.9267 8.9267 9.0589 9.0589 9.6775 9.6775 9.7166 9.7166 9.9966 9.9966 10.5231 10.5231 10.9160 10.9160 12.4001 12.4001 k = 0.0392 0.0679-0.0000 ( 6885 PWs) bands (ev): -68.8055 -68.8055 -68.7902 -68.7902 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4226 -37.4226 -37.3049 -37.3049 -37.2954 -37.2954 -1.6470 -1.6470 1.1747 1.1747 4.5499 4.5499 6.8043 6.8043 6.9983 6.9983 7.8187 7.8187 8.4682 8.4682 8.5026 8.5026 8.9469 8.9469 9.0542 9.0542 9.6794 9.6794 9.7180 9.7180 10.0404 10.0404 10.5689 10.5689 10.9179 10.9179 12.4356 12.4356 k = 0.0327 0.0566-0.0000 ( 6893 PWs) bands (ev): -68.8071 -68.8071 -68.7896 -68.7896 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6619 -1.6619 1.1734 1.1734 4.5323 4.5323 6.8071 6.8071 6.9985 6.9985 7.8264 7.8264 8.4930 8.4930 8.5179 8.5179 8.9677 8.9677 9.0567 9.0567 9.6754 9.6754 9.7134 9.7134 10.0769 10.0769 10.6136 10.6136 10.9256 10.9256 12.4486 12.4486 k = 0.0261 0.0453-0.0000 ( 6891 PWs) bands (ev): -68.8068 -68.8068 -68.7896 -68.7896 -38.6097 -38.6097 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3049 -37.3049 -37.2954 -37.2954 -1.6740 -1.6740 1.1723 1.1723 4.5182 4.5182 6.8120 6.8120 7.0020 7.0020 7.8366 7.8366 8.5166 8.5166 8.5344 8.5344 8.9791 8.9791 9.0556 9.0556 9.6723 9.6723 9.7107 9.7107 10.1068 10.1068 10.6562 10.6562 10.9297 10.9297 12.4502 12.4502 k = 0.0196 0.0340-0.0000 ( 6907 PWs) bands (ev): -68.8063 -68.8063 -68.7923 -68.7923 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3048 -37.3048 -37.2955 -37.2955 -1.6834 -1.6834 1.1714 1.1714 4.5068 4.5068 6.8138 6.8138 7.0029 7.0029 7.8441 7.8441 8.5309 8.5309 8.5395 8.5395 8.9797 8.9797 9.0477 9.0477 9.6729 9.6729 9.7116 9.7116 10.1292 10.1292 10.6931 10.6931 10.9267 10.9267 12.4481 12.4481 k = 0.0131 0.0226-0.0000 ( 6899 PWs) bands (ev): -68.8052 -68.8052 -68.7923 -68.7923 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3048 -37.3048 -37.2955 -37.2955 -1.6902 -1.6902 1.1708 1.1708 4.4991 4.4991 6.8174 6.8174 7.0065 7.0065 7.8513 7.8513 8.5448 8.5448 8.5495 8.5495 8.9844 8.9844 9.0485 9.0485 9.6722 9.6722 9.7112 9.7112 10.1449 10.1449 10.7219 10.7219 10.9312 10.9312 12.4459 12.4459 k = 0.0065 0.0113-0.0000 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6098 -38.6098 -38.5781 -38.5781 -37.4718 -37.4718 -37.4226 -37.4226 -37.3047 -37.3047 -37.2955 -37.2955 -1.6942 -1.6942 1.1704 1.1704 4.4945 4.4945 6.8189 6.8189 7.0080 7.0080 7.8553 7.8553 8.5521 8.5521 8.5551 8.5551 8.9867 8.9867 9.0495 9.0495 9.6728 9.6728 9.7119 9.7119 10.1540 10.1540 10.7400 10.7400 10.9353 10.9353 12.4443 12.4443 k = 0.0000 0.0000 0.0000 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6098 -38.6098 -38.5780 -38.5780 -37.4718 -37.4718 -37.4226 -37.4226 -37.3047 -37.3047 -37.2955 -37.2955 -1.6956 -1.6956 1.1702 1.1702 4.4929 4.4929 6.8192 6.8192 7.0082 7.0082 7.8560 7.8560 8.5544 8.5544 8.5567 8.5567 8.9876 8.9876 9.0503 9.0503 9.6729 9.6729 9.7120 9.7120 10.1570 10.1570 10.7462 10.7462 10.9356 10.9356 12.4438 12.4438 k = 0.0000 0.0000 0.0000 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6098 -38.6098 -38.5780 -38.5780 -37.4718 -37.4718 -37.4226 -37.4226 -37.3047 -37.3047 -37.2955 -37.2955 -1.6956 -1.6956 1.1702 1.1702 4.4929 4.4929 6.8192 6.8192 7.0082 7.0082 7.8560 7.8560 8.5544 8.5544 8.5567 8.5567 8.9876 8.9876 9.0503 9.0503 9.6729 9.6729 9.7120 9.7120 10.1570 10.1570 10.7462 10.7462 10.9356 10.9356 12.4438 12.4438 k = 0.0000 0.0000 0.0127 ( 6895 PWs) bands (ev): -68.8046 -68.8046 -68.7923 -68.7923 -38.6097 -38.6097 -38.5781 -38.5781 -37.4718 -37.4718 -37.4227 -37.4227 -37.3047 -37.3047 -37.2955 -37.2955 -1.6942 -1.6942 1.1649 1.1649 4.5001 4.5001 6.8203 6.8203 7.0092 7.0092 7.8568 7.8568 8.5551 8.5551 8.5574 8.5574 8.9848 8.9848 9.0455 9.0455 9.6680 9.6680 9.7088 9.7088 10.1662 10.1662 10.7521 10.7521 10.9325 10.9325 12.4342 12.4342 k = 0.0000 0.0000 0.0254 ( 6907 PWs) bands (ev): -68.8046 -68.8046 -68.7940 -68.7940 -38.6097 -38.6097 -38.5781 -38.5781 -37.4717 -37.4717 -37.4228 -37.4228 -37.3047 -37.3047 -37.2955 -37.2955 -1.6903 -1.6903 1.1490 1.1490 4.5206 4.5206 6.8220 6.8220 7.0108 7.0108 7.8592 7.8592 8.5522 8.5522 8.5545 8.5545 8.9754 8.9754 9.0302 9.0302 9.6545 9.6545 9.6994 9.6994 10.1923 10.1923 10.7694 10.7694 10.9144 10.9144 12.4058 12.4058 k = 0.0000 0.0000 0.0382 ( 6895 PWs) bands (ev): -68.8028 -68.8028 -68.7942 -68.7942 -38.6096 -38.6096 -38.5782 -38.5782 -37.4716 -37.4716 -37.4230 -37.4230 -37.3046 -37.3046 -37.2955 -37.2955 -1.6836 -1.6836 1.1229 1.1229 4.5541 4.5541 6.8285 6.8285 7.0172 7.0172 7.8659 7.8659 8.5592 8.5592 8.5617 8.5617 8.9651 8.9651 9.0106 9.0106 9.6446 9.6446 9.6944 9.6944 10.2330 10.2330 10.7975 10.7975 10.8753 10.8753 12.3598 12.3598 k = 0.0000 0.0000 0.0509 ( 6895 PWs) bands (ev): -68.8028 -68.8028 -68.7943 -68.7943 -38.6094 -38.6094 -38.5784 -38.5784 -37.4713 -37.4713 -37.4232 -37.4232 -37.3046 -37.3046 -37.2956 -37.2956 -1.6743 -1.6743 1.0874 1.0874 4.6022 4.6022 6.8358 6.8358 7.0242 7.0242 7.8713 7.8713 8.5637 8.5637 8.5663 8.5663 8.9453 8.9453 8.9784 8.9784 9.6217 9.6217 9.6748 9.6748 10.2834 10.2834 10.8350 10.8350 10.8539 10.8539 12.2979 12.2979 k = 0.0000 0.0000 0.0636 ( 6889 PWs) bands (ev): -68.8027 -68.8027 -68.7935 -68.7935 -38.6091 -38.6091 -38.5786 -38.5786 -37.4710 -37.4710 -37.4236 -37.4236 -37.3045 -37.3045 -37.2956 -37.2956 -1.6624 -1.6624 1.0433 1.0433 4.6630 4.6630 6.8459 6.8459 7.0338 7.0338 7.8782 7.8782 8.5717 8.5717 8.5746 8.5746 8.9207 8.9207 8.9392 8.9392 9.5976 9.5976 9.6518 9.6518 10.3411 10.3411 10.8317 10.8317 10.8807 10.8807 12.2221 12.2221 k = 0.0000 0.0000 0.0763 ( 6877 PWs) bands (ev): -68.8026 -68.8026 -68.7920 -68.7920 -38.6088 -38.6088 -38.5789 -38.5789 -37.4705 -37.4705 -37.4240 -37.4240 -37.3044 -37.3044 -37.2957 -37.2957 -1.6479 -1.6479 0.9915 0.9915 4.7344 4.7344 6.8584 6.8584 7.0458 7.0458 7.8863 7.8863 8.5823 8.5823 8.5856 8.5856 8.8955 8.8955 8.8973 8.8973 9.5743 9.5743 9.6271 9.6271 10.4040 10.4040 10.8014 10.8014 10.9334 10.9334 12.1349 12.1349 k = 0.0000 0.0000 0.0890 ( 6877 PWs) bands (ev): -68.8025 -68.8025 -68.7921 -68.7921 -38.6085 -38.6085 -38.5792 -38.5792 -37.4701 -37.4701 -37.4245 -37.4245 -37.3044 -37.3044 -37.2958 -37.2958 -1.6307 -1.6307 0.9329 0.9329 4.8161 4.8161 6.8720 6.8720 7.0587 7.0587 7.8956 7.8956 8.5904 8.5904 8.5941 8.5941 8.8458 8.8458 8.8608 8.8608 9.5505 9.5505 9.6004 9.6004 10.4696 10.4696 10.7654 10.7654 10.9916 10.9916 12.0383 12.0383 k = 0.0000 0.0000 0.1018 ( 6889 PWs) bands (ev): -68.8041 -68.8041 -68.7922 -68.7922 -38.6081 -38.6081 -38.5795 -38.5795 -37.4695 -37.4695 -37.4252 -37.4252 -37.3043 -37.3043 -37.2959 -37.2959 -1.6109 -1.6109 0.8687 0.8687 4.9068 4.9068 6.8870 6.8870 7.0728 7.0728 7.8954 7.8954 8.5989 8.5989 8.6034 8.6034 8.7898 8.7898 8.8219 8.8219 9.5243 9.5243 9.5698 9.5698 10.5359 10.5359 10.7257 10.7257 11.0538 11.0538 11.9349 11.9349 k = 0.0000 0.0000 0.1145 ( 6877 PWs) bands (ev): -68.8023 -68.8023 -68.7923 -68.7923 -38.6077 -38.6077 -38.5799 -38.5799 -37.4689 -37.4689 -37.4258 -37.4258 -37.3041 -37.3041 -37.2960 -37.2960 -1.5885 -1.5885 0.7996 0.7996 5.0057 5.0057 6.9050 6.9050 7.0898 7.0898 7.9125 7.9125 8.6090 8.6090 8.6147 8.6147 8.7318 8.7318 8.7805 8.7805 9.5066 9.5066 9.5481 9.5481 10.6043 10.6043 10.6826 10.6826 11.1213 11.1213 11.8272 11.8272 k = 0.0000 0.0000 0.1272 ( 6877 PWs) bands (ev): -68.8022 -68.8022 -68.7924 -68.7924 -38.6072 -38.6072 -38.5803 -38.5803 -37.4682 -37.4682 -37.4265 -37.4265 -37.3040 -37.3040 -37.2961 -37.2961 -1.5635 -1.5635 0.7266 0.7266 5.1116 5.1116 6.9248 6.9248 7.1085 7.1085 7.9236 7.9236 8.6189 8.6189 8.6270 8.6270 8.6705 8.6705 8.7365 8.7365 9.4830 9.4830 9.5196 9.5196 10.6368 10.6368 10.6691 10.6691 11.1910 11.1910 11.7181 11.7181 k = 0.0000 0.0000 0.1399 ( 6889 PWs) bands (ev): -68.8038 -68.8038 -68.7925 -68.7925 -38.6067 -38.6067 -38.5808 -38.5808 -37.4675 -37.4675 -37.4274 -37.4274 -37.3039 -37.3039 -37.2963 -37.2963 -1.5359 -1.5359 0.6505 0.6505 5.2239 5.2239 6.9462 6.9462 7.1287 7.1287 7.9325 7.9325 8.6061 8.6061 8.6246 8.6246 8.6402 8.6402 8.6937 8.6937 9.4523 9.4523 9.4830 9.4830 10.5887 10.5887 10.7267 10.7267 11.2613 11.2613 11.6112 11.6112 k = 0.0000 0.0000 0.1526 ( 6889 PWs) bands (ev): -68.8037 -68.8037 -68.7926 -68.7926 -38.6061 -38.6061 -38.5813 -38.5813 -37.4667 -37.4667 -37.4283 -37.4283 -37.3037 -37.3037 -37.2964 -37.2964 -1.5057 -1.5057 0.5719 0.5719 5.3415 5.3415 6.9701 6.9701 7.1512 7.1512 7.9433 7.9433 8.5419 8.5419 8.6097 8.6097 8.6550 8.6550 8.6718 8.6718 9.4285 9.4285 9.4546 9.4546 10.5389 10.5389 10.7765 10.7765 11.3351 11.3351 11.5126 11.5126 k = 0.0000 0.0000 0.1654 ( 6895 PWs) bands (ev): -68.8035 -68.8035 -68.7936 -68.7936 -38.6055 -38.6055 -38.5819 -38.5819 -37.4659 -37.4659 -37.4292 -37.4292 -37.3036 -37.3036 -37.2966 -37.2966 -1.4730 -1.4730 0.4914 0.4914 5.4639 5.4639 6.9952 6.9952 7.1746 7.1746 7.9532 7.9532 8.4766 8.4766 8.5655 8.5655 8.6675 8.6675 8.6742 8.6742 9.4039 9.4039 9.4258 9.4258 10.4888 10.4888 10.8081 10.8081 11.4101 11.4101 11.4313 11.4313 k = 0.0000 0.0000 0.1781 ( 6895 PWs) bands (ev): -68.8034 -68.8034 -68.7938 -68.7938 -38.6049 -38.6049 -38.5825 -38.5825 -37.4649 -37.4649 -37.4302 -37.4302 -37.3034 -37.3034 -37.2968 -37.2968 -1.4377 -1.4377 0.4096 0.4096 5.5900 5.5900 7.0233 7.0233 7.2009 7.2009 7.9616 7.9616 8.4118 8.4118 8.5138 8.5138 8.6846 8.6846 8.6880 8.6880 9.3792 9.3792 9.3974 9.3974 10.4365 10.4365 10.8102 10.8102 11.3798 11.3798 11.4864 11.4864 k = 0.0000 0.0000 0.1908 ( 6907 PWs) bands (ev): -68.8032 -68.8032 -68.7956 -68.7956 -38.6043 -38.6043 -38.5831 -38.5831 -37.4640 -37.4640 -37.4312 -37.4312 -37.3032 -37.3032 -37.2970 -37.2970 -1.3999 -1.3999 0.3270 0.3270 5.7194 5.7194 7.0520 7.0520 7.2276 7.2276 7.9675 7.9675 8.3455 8.3455 8.4567 8.4567 8.6976 8.6976 8.6996 8.6996 9.3527 9.3527 9.3678 9.3678 10.3837 10.3837 10.7745 10.7745 11.3663 11.3663 11.5627 11.5627 k = 0.0000 0.0000 0.2035 ( 6913 PWs) bands (ev): -68.8047 -68.8047 -68.7949 -68.7949 -38.6035 -38.6035 -38.5838 -38.5838 -37.4630 -37.4630 -37.4323 -37.4323 -37.3031 -37.3031 -37.2972 -37.2972 -1.3596 -1.3596 0.2440 0.2440 5.8520 5.8520 7.0808 7.0808 7.2534 7.2534 7.9611 7.9611 8.2837 8.2837 8.4023 8.4023 8.7151 8.7151 8.7161 8.7161 9.3330 9.3330 9.3457 9.3457 10.3350 10.3350 10.7062 10.7062 11.3889 11.3889 11.6416 11.6416 k = 0.0000 0.0000 0.2162 ( 6919 PWs) bands (ev): -68.8045 -68.8045 -68.7959 -68.7959 -38.6028 -38.6028 -38.5845 -38.5845 -37.4619 -37.4619 -37.4334 -37.4334 -37.3029 -37.3029 -37.2974 -37.2974 -1.3168 -1.3168 0.1608 0.1608 5.9858 5.9858 7.1146 7.1146 7.2845 7.2845 7.9587 7.9587 8.2209 8.2209 8.3441 8.3441 8.7334 8.7334 8.7339 8.7339 9.3057 9.3057 9.3160 9.3160 10.2822 10.2822 10.6184 10.6184 11.4326 11.4326 11.7184 11.7184 k = 0.0000 0.0000 0.2290 ( 6913 PWs) bands (ev): -68.8043 -68.8043 -68.7953 -68.7953 -38.6020 -38.6020 -38.5852 -38.5852 -37.4607 -37.4607 -37.4346 -37.4346 -37.3027 -37.3027 -37.2976 -37.2976 -1.2715 -1.2715 0.0780 0.0780 6.1225 6.1225 7.1511 7.1511 7.3181 7.3181 7.9493 7.9493 8.1623 8.1623 8.2872 8.2872 8.7548 8.7548 8.7549 8.7549 9.2790 9.2790 9.2871 9.2871 10.2405 10.2405 10.5222 10.5222 11.4896 11.4896 11.7955 11.7955 k = 0.0000 0.0000 0.2417 ( 6937 PWs) bands (ev): -68.8058 -68.8058 -68.7972 -68.7972 -38.6013 -38.6013 -38.5860 -38.5860 -37.4596 -37.4596 -37.4359 -37.4359 -37.3025 -37.3025 -37.2979 -37.2979 -1.2239 -1.2239 -0.0044 -0.0044 6.2571 6.2571 7.1880 7.1880 7.3515 7.3515 7.9237 7.9237 8.1057 8.1057 8.2286 8.2286 8.7711 8.7711 8.7713 8.7713 9.2470 9.2470 9.2530 9.2530 10.1861 10.1861 10.4234 10.4234 11.5517 11.5517 11.8703 11.8703 k = 0.0000 0.0000 0.2544 ( 6955 PWs) bands (ev): -68.8056 -68.8056 -68.7999 -68.7999 -38.6005 -38.6005 -38.5867 -38.5867 -37.4585 -37.4585 -37.4372 -37.4372 -37.3022 -37.3022 -37.2982 -37.2982 -1.1738 -1.1738 -0.0861 -0.0861 6.3921 6.3921 7.2261 7.2261 7.3858 7.3858 7.8934 7.8934 8.0555 8.0555 8.1699 8.1699 8.7847 8.7847 8.7851 8.7851 9.2182 9.2182 9.2228 9.2228 10.1379 10.1379 10.3285 10.3285 11.6184 11.6184 11.9453 11.9453 k = 0.0000 0.0000 0.2671 ( 6943 PWs) bands (ev): -68.8053 -68.8053 -68.7985 -68.7985 -38.5996 -38.5996 -38.5875 -38.5875 -37.4572 -37.4572 -37.4384 -37.4384 -37.3020 -37.3020 -37.2984 -37.2984 -1.1213 -1.1213 -0.1666 -0.1666 6.5273 6.5273 7.2708 7.2708 7.4260 7.4260 7.8513 7.8513 8.0121 8.0121 8.1144 8.1144 8.8139 8.8139 8.8145 8.8145 9.1911 9.1911 9.1943 9.1943 10.0948 10.0948 10.2399 10.2399 11.6883 11.6883 12.0207 12.0207 k = 0.0000 0.0000 0.2798 ( 6967 PWs) bands (ev): -68.8068 -68.8068 -68.8004 -68.8004 -38.5988 -38.5988 -38.5884 -38.5884 -37.4560 -37.4560 -37.4398 -37.4398 -37.3018 -37.3018 -37.2987 -37.2987 -1.0666 -1.0666 -0.2461 -0.2461 6.6596 6.6596 7.3145 7.3145 7.4643 7.4643 7.7974 7.7974 7.9669 7.9669 8.0534 8.0534 8.8349 8.8349 8.8357 8.8357 9.1546 9.1546 9.1568 9.1568 10.0502 10.0502 10.1596 10.1596 11.7540 11.7540 12.0904 12.0904 k = 0.0000 0.0000 0.2926 ( 6967 PWs) bands (ev): -68.8065 -68.8065 -68.8007 -68.8007 -38.5979 -38.5979 -38.5892 -38.5892 -37.4547 -37.4547 -37.4411 -37.4411 -37.3016 -37.3016 -37.2989 -37.2989 -1.0094 -1.0094 -0.3243 -0.3243 6.7895 6.7895 7.3619 7.3619 7.5056 7.5056 7.7380 7.7380 7.9230 7.9230 7.9988 7.9988 8.8584 8.8584 8.8592 8.8592 9.1269 9.1269 9.1281 9.1281 10.0147 10.0147 10.0899 10.0899 11.8243 11.8243 12.1630 12.1630 k = 0.0000 0.0000 0.3053 ( 6955 PWs) bands (ev): -68.8046 -68.8046 -68.8010 -68.8010 -38.5971 -38.5971 -38.5900 -38.5900 -37.4534 -37.4534 -37.4424 -37.4424 -37.3013 -37.3013 -37.2992 -37.2992 -0.9500 -0.9500 -0.4010 -0.4010 6.9155 6.9155 7.4124 7.4124 7.5489 7.5489 7.6770 7.6770 7.8794 7.8794 7.9451 7.9451 8.8839 8.8839 8.8848 8.8848 9.1016 9.1016 9.1023 9.1023 9.9830 9.9830 10.0362 10.0362 11.8945 11.8945 12.2345 12.2345 k = 0.0000 0.0000 0.3180 ( 6956 PWs) bands (ev): -68.8045 -68.8045 -68.8012 -68.8012 -38.5962 -38.5962 -38.5909 -38.5909 -37.4520 -37.4520 -37.4438 -37.4438 -37.3010 -37.3010 -37.2994 -37.2994 -0.8885 -0.8885 -0.4762 -0.4762 7.0363 7.0363 7.4655 7.4655 7.5936 7.5936 7.6062 7.6062 7.8245 7.8245 7.8916 7.8916 8.9100 8.9100 8.9109 8.9109 9.0733 9.0733 9.0735 9.0735 9.9574 9.9574 9.9904 9.9904 11.9626 11.9626 12.3033 12.3033 k = 0.0000 0.0000 0.3307 ( 6956 PWs) bands (ev): -68.8042 -68.8042 -68.8015 -68.8015 -38.5953 -38.5953 -38.5918 -38.5918 -37.4507 -37.4507 -37.4452 -37.4452 -37.3008 -37.3008 -37.2997 -37.2997 -0.8247 -0.8247 -0.5496 -0.5496 7.1507 7.1507 7.5216 7.5216 7.5303 7.5303 7.6398 7.6398 7.7658 7.7658 7.8391 7.8391 8.9367 8.9367 8.9376 8.9376 9.0449 9.0449 9.0451 9.0451 9.9389 9.9389 9.9577 9.9577 12.0294 12.0294 12.2766 12.2766 k = 0.0000 0.0000 0.3434 ( 6950 PWs) bands (ev): -68.8040 -68.8040 -68.8009 -68.8009 -38.5944 -38.5944 -38.5926 -38.5926 -37.4492 -37.4492 -37.4466 -37.4466 -37.3005 -37.3005 -37.3000 -37.3000 -0.7589 -0.7589 -0.6212 -0.6212 7.2606 7.2606 7.4477 7.4477 7.5816 7.5816 7.6875 7.6875 7.7043 7.7043 7.7877 7.7877 8.9641 8.9641 8.9648 8.9648 9.0165 9.0165 9.0171 9.0171 9.9348 9.9348 9.9371 9.9371 12.0945 12.0945 12.2178 12.2178 k = 0.0000 0.0000 0.3562 ( 6968 PWs) bands (ev): -68.8037 -68.8037 -68.8037 -68.8037 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6911 -0.6911 -0.6911 -0.6911 7.3569 7.3569 7.3569 7.3569 7.6406 7.6406 7.6406 7.6406 7.7349 7.7349 7.7349 7.7349 8.9866 8.9866 8.9866 8.9866 8.9873 8.9873 8.9873 8.9873 9.9279 9.9279 9.9279 9.9279 12.1552 12.1552 12.1552 12.1552 k = 0.0000 0.0000 0.3562 ( 6968 PWs) bands (ev): -68.8037 -68.8037 -68.8037 -68.8037 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6911 -0.6911 -0.6911 -0.6911 7.3569 7.3569 7.3569 7.3569 7.6406 7.6406 7.6406 7.6406 7.7349 7.7349 7.7349 7.7349 8.9866 8.9866 8.9866 8.9866 8.9873 8.9873 8.9873 8.9873 9.9279 9.9279 9.9279 9.9279 12.1552 12.1552 12.1552 12.1552 k = 0.0111 0.0064 0.3562 ( 6960 PWs) bands (ev): -68.8031 -68.8031 -68.8031 -68.8031 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6900 -0.6900 -0.6900 -0.6900 7.3518 7.3518 7.3518 7.3518 7.6412 7.6412 7.6412 7.6412 7.7382 7.7382 7.7382 7.7382 8.9874 8.9874 8.9874 8.9874 8.9902 8.9902 8.9902 8.9902 9.9309 9.9309 9.9309 9.9309 12.1513 12.1513 12.1513 12.1513 k = 0.0222 0.0128 0.3562 ( 6946 PWs) bands (ev): -68.8022 -68.8022 -68.8022 -68.8022 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6867 -0.6867 -0.6867 -0.6867 7.3370 7.3370 7.3370 7.3370 7.6421 7.6421 7.6421 7.6421 7.7466 7.7466 7.7466 7.7466 8.9874 8.9874 8.9874 8.9874 8.9930 8.9930 8.9930 8.9930 9.9413 9.9413 9.9413 9.9413 12.1381 12.1381 12.1381 12.1381 k = 0.0333 0.0192 0.3562 ( 6934 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6812 -0.6812 -0.6812 -0.6812 7.3123 7.3123 7.3123 7.3123 7.6422 7.6422 7.6422 7.6422 7.7577 7.7577 7.7577 7.7577 8.9875 8.9875 8.9875 8.9875 8.9968 8.9968 8.9968 8.9968 9.9548 9.9548 9.9548 9.9548 12.1144 12.1144 12.1144 12.1144 k = 0.0444 0.0257 0.3562 ( 6928 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6736 -0.6736 -0.6736 -0.6736 7.2790 7.2790 7.2790 7.2790 7.6412 7.6412 7.6412 7.6412 7.7700 7.7700 7.7700 7.7700 8.9864 8.9864 8.9864 8.9864 8.9994 8.9994 8.9994 8.9994 9.9724 9.9724 9.9724 9.9724 12.0789 12.0789 12.0789 12.0789 k = 0.0556 0.0321 0.3562 ( 6924 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6638 -0.6638 -0.6638 -0.6638 7.2389 7.2389 7.2389 7.2389 7.6389 7.6389 7.6389 7.6389 7.7832 7.7832 7.7832 7.7832 8.9852 8.9852 8.9852 8.9852 9.0017 9.0017 9.0017 9.0017 9.9935 9.9935 9.9935 9.9935 12.0328 12.0328 12.0328 12.0328 k = 0.0667 0.0385 0.3562 ( 6924 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6518 -0.6518 -0.6518 -0.6518 7.1922 7.1922 7.1922 7.1922 7.6363 7.6363 7.6363 7.6363 7.7959 7.7959 7.7959 7.7959 8.9813 8.9813 8.9813 8.9813 9.0048 9.0048 9.0048 9.0048 10.0185 10.0185 10.0185 10.0185 11.9746 11.9746 11.9746 11.9746 k = 0.0778 0.0449 0.3562 ( 6920 PWs) bands (ev): -68.8004 -68.8004 -68.8004 -68.8004 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6378 -0.6378 -0.6378 -0.6378 7.1406 7.1406 7.1406 7.1406 7.6331 7.6331 7.6331 7.6331 7.8087 7.8087 7.8087 7.8087 8.9784 8.9784 8.9784 8.9784 9.0096 9.0096 9.0096 9.0096 10.0473 10.0473 10.0473 10.0473 11.9073 11.9073 11.9073 11.9073 k = 0.0889 0.0513 0.3562 ( 6914 PWs) bands (ev): -68.8000 -68.8000 -68.8000 -68.8000 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6216 -0.6216 -0.6216 -0.6216 7.0843 7.0843 7.0843 7.0843 7.6298 7.6298 7.6298 7.6298 7.8212 7.8212 7.8212 7.8212 8.9759 8.9759 8.9759 8.9759 9.0158 9.0158 9.0158 9.0158 10.0785 10.0785 10.0785 10.0785 11.8323 11.8323 11.8323 11.8323 k = 0.1000 0.0577 0.3562 ( 6910 PWs) bands (ev): -68.7997 -68.7997 -68.7997 -68.7997 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6034 -0.6034 -0.6034 -0.6034 7.0239 7.0239 7.0239 7.0239 7.6263 7.6263 7.6263 7.6263 7.8336 7.8336 7.8336 7.8336 8.9702 8.9702 8.9702 8.9702 9.0212 9.0212 9.0212 9.0212 10.1126 10.1126 10.1126 10.1126 11.7516 11.7516 11.7516 11.7516 k = 0.1111 0.0642 0.3562 ( 6902 PWs) bands (ev): -68.7992 -68.7992 -68.7992 -68.7992 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.5831 -0.5831 -0.5831 -0.5831 6.9598 6.9598 6.9598 6.9598 7.6220 7.6220 7.6220 7.6220 7.8452 7.8452 7.8452 7.8452 8.9673 8.9673 8.9673 8.9673 9.0281 9.0281 9.0281 9.0281 10.1489 10.1489 10.1489 10.1489 11.6666 11.6666 11.6666 11.6666 k = 0.1222 0.0706 0.3562 ( 6910 PWs) bands (ev): -68.7998 -68.7998 -68.7998 -68.7998 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3004 -37.3004 -37.3004 -37.3004 -0.5608 -0.5608 -0.5608 -0.5608 6.8921 6.8921 6.8921 6.8921 7.6151 7.6151 7.6151 7.6151 7.8549 7.8549 7.8549 7.8549 8.9598 8.9598 8.9598 8.9598 9.0316 9.0316 9.0316 9.0316 10.1848 10.1848 10.1848 10.1848 11.5783 11.5783 11.5783 11.5783 k = 0.1333 0.0770 0.3562 ( 6906 PWs) bands (ev): -68.7995 -68.7995 -68.7995 -68.7995 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3004 -37.3004 -37.3004 -37.3004 -0.5366 -0.5366 -0.5366 -0.5366 6.8207 6.8207 6.8207 6.8207 7.6114 7.6114 7.6114 7.6114 7.8648 7.8648 7.8648 7.8648 8.9515 8.9515 8.9515 8.9515 9.0400 9.0400 9.0400 9.0400 10.2211 10.2211 10.2211 10.2211 11.4902 11.4902 11.4902 11.4902 k = 0.1444 0.0834 0.3562 ( 6906 PWs) bands (ev): -68.7995 -68.7995 -68.7995 -68.7995 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3004 -37.3004 -37.3004 -37.3004 -0.5106 -0.5106 -0.5106 -0.5106 6.7473 6.7473 6.7473 6.7473 7.6056 7.6056 7.6056 7.6056 7.8740 7.8740 7.8740 7.8740 8.9419 8.9419 8.9419 8.9419 9.0483 9.0483 9.0483 9.0483 10.2569 10.2569 10.2569 10.2569 11.4042 11.4042 11.4042 11.4042 k = 0.1556 0.0898 0.3562 ( 6910 PWs) bands (ev): -68.7998 -68.7998 -68.7998 -68.7998 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3005 -37.3005 -37.3005 -37.3005 -0.4826 -0.4826 -0.4826 -0.4826 6.6709 6.6709 6.6709 6.6709 7.5986 7.5986 7.5986 7.5986 7.8823 7.8823 7.8823 7.8823 8.9339 8.9339 8.9339 8.9339 9.0538 9.0538 9.0538 9.0538 10.2901 10.2901 10.2901 10.2901 11.3211 11.3211 11.3211 11.3211 k = 0.1667 0.0962 0.3562 ( 6912 PWs) bands (ev): -68.8000 -68.8000 -68.8000 -68.8000 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3005 -37.3005 -37.3005 -37.3005 -0.4529 -0.4529 -0.4529 -0.4529 6.5930 6.5930 6.5930 6.5930 7.5913 7.5913 7.5913 7.5913 7.8887 7.8887 7.8887 7.8887 8.9247 8.9247 8.9247 8.9247 9.0635 9.0635 9.0635 9.0635 10.3189 10.3189 10.3189 10.3189 11.2453 11.2453 11.2453 11.2453 k = 0.1778 0.1026 0.3562 ( 6912 PWs) bands (ev): -68.8000 -68.8000 -68.8000 -68.8000 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3006 -37.3006 -37.3006 -37.3006 -0.4215 -0.4215 -0.4215 -0.4215 6.5129 6.5129 6.5129 6.5129 7.5837 7.5837 7.5837 7.5837 7.8952 7.8952 7.8952 7.8952 8.9176 8.9176 8.9176 8.9176 9.0721 9.0721 9.0721 9.0721 10.3418 10.3418 10.3418 10.3418 11.1781 11.1781 11.1781 11.1781 k = 0.1889 0.1091 0.3562 ( 6922 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5936 -38.5936 -38.5936 -38.5936 -37.4480 -37.4480 -37.4480 -37.4480 -37.3006 -37.3006 -37.3006 -37.3006 -0.3884 -0.3884 -0.3884 -0.3884 6.4306 6.4306 6.4306 6.4306 7.5746 7.5746 7.5746 7.5746 7.8996 7.8996 7.8996 7.8996 8.9079 8.9079 8.9079 8.9079 9.0811 9.0811 9.0811 9.0811 10.3513 10.3513 10.3513 10.3513 11.1240 11.1240 11.1240 11.1240 k = 0.2000 0.1155 0.3562 ( 6918 PWs) bands (ev): -68.8004 -68.8004 -68.8004 -68.8004 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3007 -37.3007 -37.3007 -37.3007 -0.3538 -0.3538 -0.3538 -0.3538 6.3484 6.3484 6.3484 6.3484 7.5667 7.5667 7.5667 7.5667 7.9058 7.9058 7.9058 7.9058 8.8982 8.8982 8.8982 8.8982 9.0910 9.0910 9.0910 9.0910 10.3531 10.3531 10.3531 10.3531 11.0878 11.0878 11.0878 11.0878 k = 0.2111 0.1219 0.3562 ( 6922 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3007 -37.3007 -37.3007 -37.3007 -0.3177 -0.3177 -0.3177 -0.3177 6.2642 6.2642 6.2642 6.2642 7.5581 7.5581 7.5581 7.5581 7.9098 7.9098 7.9098 7.9098 8.8884 8.8884 8.8884 8.8884 9.1004 9.1004 9.1004 9.1004 10.3383 10.3383 10.3383 10.3383 11.0672 11.0672 11.0672 11.0672 k = 0.2222 0.1283 0.3562 ( 6926 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3008 -37.3008 -37.3008 -37.3008 -0.2803 -0.2803 -0.2803 -0.2803 6.1793 6.1793 6.1793 6.1793 7.5479 7.5479 7.5479 7.5479 7.9131 7.9131 7.9131 7.9131 8.8801 8.8801 8.8801 8.8801 9.1100 9.1100 9.1100 9.1100 10.3105 10.3105 10.3105 10.3105 11.0644 11.0644 11.0644 11.0644 k = 0.2333 0.1347 0.3562 ( 6924 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3008 -37.3008 -37.3008 -37.3008 -0.2416 -0.2416 -0.2416 -0.2416 6.0944 6.0944 6.0944 6.0944 7.5385 7.5385 7.5385 7.5385 7.9154 7.9154 7.9154 7.9154 8.8724 8.8724 8.8724 8.8724 9.1208 9.1208 9.1208 9.1208 10.2735 10.2735 10.2735 10.2735 11.0770 11.0770 11.0770 11.0770 k = 0.2444 0.1411 0.3562 ( 6932 PWs) bands (ev): -68.8014 -68.8014 -68.8014 -68.8014 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3009 -37.3009 -37.3009 -37.3009 -0.2018 -0.2018 -0.2018 -0.2018 6.0080 6.0080 6.0080 6.0080 7.5292 7.5292 7.5292 7.5292 7.9165 7.9165 7.9165 7.9165 8.8626 8.8626 8.8626 8.8626 9.1294 9.1294 9.1294 9.1294 10.2251 10.2251 10.2251 10.2251 11.0983 11.0983 11.0983 11.0983 k = 0.2556 0.1475 0.3562 ( 6936 PWs) bands (ev): -68.8017 -68.8017 -68.8017 -68.8017 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3010 -37.3010 -37.3010 -37.3010 -0.1610 -0.1610 -0.1610 -0.1610 5.9215 5.9215 5.9215 5.9215 7.5196 7.5196 7.5196 7.5196 7.9166 7.9166 7.9166 7.9166 8.8563 8.8563 8.8563 8.8563 9.1399 9.1399 9.1399 9.1399 10.1705 10.1705 10.1705 10.1705 11.1283 11.1283 11.1283 11.1283 k = 0.2667 0.1540 0.3562 ( 6940 PWs) bands (ev): -68.8020 -68.8020 -68.8020 -68.8020 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3010 -37.3010 -37.3010 -37.3010 -0.1194 -0.1194 -0.1194 -0.1194 5.8349 5.8349 5.8349 5.8349 7.5104 7.5104 7.5104 7.5104 7.9155 7.9155 7.9155 7.9155 8.8498 8.8498 8.8498 8.8498 9.1527 9.1527 9.1527 9.1527 10.1116 10.1116 10.1116 10.1116 11.1619 11.1619 11.1619 11.1619 k = 0.2778 0.1604 0.3562 ( 6936 PWs) bands (ev): -68.8017 -68.8017 -68.8017 -68.8017 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3011 -37.3011 -37.3011 -37.3011 -0.0770 -0.0770 -0.0770 -0.0770 5.7490 5.7490 5.7490 5.7490 7.5015 7.5015 7.5015 7.5015 7.9138 7.9138 7.9138 7.9138 8.8462 8.8462 8.8462 8.8462 9.1682 9.1682 9.1682 9.1682 10.0541 10.0541 10.0541 10.0541 11.1951 11.1951 11.1951 11.1951 k = 0.2889 0.1668 0.3562 ( 6928 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3011 -37.3011 -37.3011 -37.3011 -0.0342 -0.0342 -0.0342 -0.0342 5.6637 5.6637 5.6637 5.6637 7.4939 7.4939 7.4939 7.4939 7.9117 7.9117 7.9117 7.9117 8.8430 8.8430 8.8430 8.8430 9.1844 9.1844 9.1844 9.1844 9.9976 9.9976 9.9976 9.9976 11.2207 11.2207 11.2207 11.2207 k = 0.3000 0.1732 0.3562 ( 6932 PWs) bands (ev): -68.8014 -68.8014 -68.8014 -68.8014 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3012 -37.3012 -37.3012 -37.3012 0.0089 0.0089 0.0089 0.0089 5.5794 5.5794 5.5794 5.5794 7.4848 7.4848 7.4848 7.4848 7.9075 7.9075 7.9075 7.9075 8.8391 8.8391 8.8391 8.8391 9.1971 9.1971 9.1971 9.1971 9.9413 9.9413 9.9413 9.9413 11.2276 11.2276 11.2276 11.2276 k = 0.3111 0.1796 0.3562 ( 6932 PWs) bands (ev): -68.8014 -68.8014 -68.8014 -68.8014 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3012 -37.3012 -37.3012 -37.3012 0.0522 0.0522 0.0522 0.0522 5.4964 5.4964 5.4964 5.4964 7.4765 7.4765 7.4765 7.4765 7.9025 7.9025 7.9025 7.9025 8.8381 8.8381 8.8381 8.8381 9.2113 9.2113 9.2113 9.2113 9.8849 9.8849 9.8849 9.8849 11.2157 11.2157 11.2157 11.2157 k = 0.3222 0.1860 0.3562 ( 6928 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3013 -37.3013 -37.3013 -37.3013 0.0954 0.0954 0.0954 0.0954 5.4152 5.4152 5.4152 5.4152 7.4677 7.4677 7.4677 7.4677 7.8969 7.8969 7.8969 7.8969 8.8400 8.8400 8.8400 8.8400 9.2260 9.2260 9.2260 9.2260 9.8335 9.8335 9.8335 9.8335 11.1903 11.1903 11.1903 11.1903 k = 0.3333 0.1925 0.3562 ( 6924 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3013 -37.3013 -37.3013 -37.3013 0.1382 0.1382 0.1382 0.1382 5.3360 5.3360 5.3360 5.3360 7.4604 7.4604 7.4604 7.4604 7.8900 7.8900 7.8900 7.8900 8.8418 8.8418 8.8418 8.8418 9.2402 9.2402 9.2402 9.2402 9.7845 9.7845 9.7845 9.7845 11.1618 11.1618 11.1618 11.1618 k = 0.3444 0.1989 0.3562 ( 6928 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3014 -37.3014 -37.3014 -37.3014 0.1803 0.1803 0.1803 0.1803 5.2590 5.2590 5.2590 5.2590 7.4520 7.4520 7.4520 7.4520 7.8828 7.8828 7.8828 7.8828 8.8434 8.8434 8.8434 8.8434 9.2522 9.2522 9.2522 9.2522 9.7372 9.7372 9.7372 9.7372 11.1290 11.1290 11.1290 11.1290 k = 0.3556 0.2053 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3014 -37.3014 -37.3014 -37.3014 0.2216 0.2216 0.2216 0.2216 5.1847 5.1847 5.1847 5.1847 7.4440 7.4440 7.4440 7.4440 7.8749 7.8749 7.8749 7.8749 8.8477 8.8477 8.8477 8.8477 9.2669 9.2669 9.2669 9.2669 9.6900 9.6900 9.6900 9.6900 11.0960 11.0960 11.0960 11.0960 k = 0.3667 0.2117 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3014 -37.3014 -37.3014 -37.3014 0.2618 0.2618 0.2618 0.2618 5.1139 5.1139 5.1139 5.1139 7.4366 7.4366 7.4366 7.4366 7.8663 7.8663 7.8663 7.8663 8.8516 8.8516 8.8516 8.8516 9.2817 9.2817 9.2817 9.2817 9.6483 9.6483 9.6483 9.6483 11.0641 11.0641 11.0641 11.0641 k = 0.3778 0.2181 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5939 -38.5939 -38.5939 -38.5939 -37.4482 -37.4482 -37.4482 -37.4482 -37.3015 -37.3015 -37.3015 -37.3015 0.3004 0.3004 0.3004 0.3004 5.0464 5.0464 5.0464 5.0464 7.4299 7.4299 7.4299 7.4299 7.8574 7.8574 7.8574 7.8574 8.8580 8.8580 8.8580 8.8580 9.2959 9.2959 9.2959 9.2959 9.6078 9.6078 9.6078 9.6078 11.0344 11.0344 11.0344 11.0344 k = 0.3889 0.2245 0.3562 ( 6934 PWs) bands (ev): -68.8015 -68.8015 -68.8015 -68.8015 -38.5939 -38.5939 -38.5939 -38.5939 -37.4482 -37.4482 -37.4482 -37.4482 -37.3015 -37.3015 -37.3015 -37.3015 0.3372 0.3372 0.3372 0.3372 4.9829 4.9829 4.9829 4.9829 7.4235 7.4235 7.4235 7.4235 7.8488 7.8488 7.8488 7.8488 8.8642 8.8642 8.8642 8.8642 9.3051 9.3051 9.3051 9.3051 9.5712 9.5712 9.5712 9.5712 11.0060 11.0060 11.0060 11.0060 k = 0.4000 0.2309 0.3562 ( 6940 PWs) bands (ev): -68.8019 -68.8019 -68.8019 -68.8019 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3016 -37.3016 -37.3016 -37.3016 0.3719 0.3719 0.3719 0.3719 4.9237 4.9237 4.9237 4.9237 7.4169 7.4169 7.4169 7.4169 7.8404 7.8404 7.8404 7.8404 8.8717 8.8717 8.8717 8.8717 9.3158 9.3158 9.3158 9.3158 9.5345 9.5345 9.5345 9.5345 10.9781 10.9781 10.9781 10.9781 k = 0.4111 0.2374 0.3562 ( 6936 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3016 -37.3016 -37.3016 -37.3016 0.4041 0.4041 0.4041 0.4041 4.8696 4.8696 4.8696 4.8696 7.4112 7.4112 7.4112 7.4112 7.8327 7.8327 7.8327 7.8327 8.8805 8.8805 8.8805 8.8805 9.3302 9.3302 9.3302 9.3302 9.5037 9.5037 9.5037 9.5037 10.9530 10.9530 10.9530 10.9530 k = 0.4222 0.2438 0.3562 ( 6932 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3016 -37.3016 -37.3016 -37.3016 0.4336 0.4336 0.4336 0.4336 4.8206 4.8206 4.8206 4.8206 7.4066 7.4066 7.4066 7.4066 7.8260 7.8260 7.8260 7.8260 8.8911 8.8911 8.8911 8.8911 9.3394 9.3394 9.3394 9.3394 9.4753 9.4753 9.4753 9.4753 10.9313 10.9313 10.9313 10.9313 k = 0.4333 0.2502 0.3562 ( 6936 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3016 -37.3016 -37.3016 -37.3016 0.4599 0.4599 0.4599 0.4599 4.7771 4.7771 4.7771 4.7771 7.4019 7.4019 7.4019 7.4019 7.8194 7.8194 7.8194 7.8194 8.9002 8.9002 8.9002 8.9002 9.3458 9.3458 9.3458 9.3458 9.4487 9.4487 9.4487 9.4487 10.9108 10.9108 10.9108 10.9108 k = 0.4444 0.2566 0.3562 ( 6928 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3016 -37.3016 -37.3016 -37.3016 0.4827 0.4827 0.4827 0.4827 4.7400 4.7400 4.7400 4.7400 7.3981 7.3981 7.3981 7.3981 7.8139 7.8139 7.8139 7.8139 8.9099 8.9099 8.9099 8.9099 9.3527 9.3527 9.3527 9.3527 9.4326 9.4326 9.4326 9.4326 10.8938 10.8938 10.8938 10.8938 k = 0.4556 0.2630 0.3562 ( 6934 PWs) bands (ev): -68.8014 -68.8014 -68.8014 -68.8014 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5019 0.5019 0.5019 0.5019 4.7086 4.7086 4.7086 4.7086 7.3942 7.3942 7.3942 7.3942 7.8094 7.8094 7.8094 7.8094 8.9185 8.9185 8.9185 8.9185 9.3539 9.3539 9.3539 9.3539 9.4137 9.4137 9.4137 9.4137 10.8784 10.8784 10.8784 10.8784 k = 0.4667 0.2694 0.3562 ( 6924 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5170 0.5170 0.5170 0.5170 4.6841 4.6841 4.6841 4.6841 7.3923 7.3923 7.3923 7.3923 7.8065 7.8065 7.8065 7.8065 8.9284 8.9284 8.9284 8.9284 9.3559 9.3559 9.3559 9.3559 9.4054 9.4054 9.4054 9.4054 10.8680 10.8680 10.8680 10.8680 k = 0.4778 0.2758 0.3562 ( 6922 PWs) bands (ev): -68.8006 -68.8006 -68.8006 -68.8006 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5280 0.5280 0.5280 0.5280 4.6664 4.6664 4.6664 4.6664 7.3920 7.3920 7.3920 7.3920 7.8030 7.8030 7.8030 7.8030 8.9323 8.9323 8.9323 8.9323 9.3532 9.3532 9.3532 9.3532 9.4018 9.4018 9.4018 9.4018 10.8629 10.8629 10.8629 10.8629 k = 0.4889 0.2823 0.3562 ( 6916 PWs) bands (ev): -68.8002 -68.8002 -68.8002 -68.8002 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5347 0.5347 0.5347 0.5347 4.6558 4.6558 4.6558 4.6558 7.3910 7.3910 7.3910 7.3910 7.8017 7.8017 7.8017 7.8017 8.9370 8.9370 8.9370 8.9370 9.3520 9.3520 9.3520 9.3520 9.4018 9.4018 9.4018 9.4018 10.8581 10.8581 10.8581 10.8581 k = 0.5000 0.2887 0.3562 ( 6920 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5369 0.5369 0.5369 0.5369 4.6523 4.6523 4.6523 4.6523 7.3898 7.3898 7.3898 7.3898 7.8011 7.8011 7.8011 7.8011 8.9380 8.9380 8.9380 8.9380 9.3493 9.3493 9.3493 9.3493 9.4002 9.4002 9.4002 9.4002 10.8549 10.8549 10.8549 10.8549 k = 0.5000 0.2887 0.3562 ( 6920 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5369 0.5369 0.5369 0.5369 4.6523 4.6523 4.6523 4.6523 7.3898 7.3898 7.3898 7.3898 7.8011 7.8011 7.8011 7.8011 8.9380 8.9380 8.9380 8.9380 9.3493 9.3493 9.3493 9.3493 9.4002 9.4002 9.4002 9.4002 10.8549 10.8549 10.8549 10.8549 k = 0.4936 0.2998 0.3562 ( 6924 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5373 0.5373 0.5376 0.5376 4.6534 4.6534 4.6537 4.6537 7.3749 7.3749 7.3900 7.3900 7.7964 7.7964 7.8091 7.8091 8.9389 8.9389 8.9399 8.9399 9.3459 9.3459 9.3508 9.3508 9.3978 9.3978 9.4012 9.4012 10.8410 10.8410 10.8444 10.8444 k = 0.4872 0.3109 0.3562 ( 6920 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5386 0.5386 0.5393 0.5393 4.6573 4.6573 4.6579 4.6579 7.3506 7.3506 7.3783 7.3783 7.7977 7.7977 7.8207 7.8207 8.9391 8.9391 8.9414 8.9414 9.3422 9.3422 9.3523 9.3523 9.3975 9.3975 9.4045 9.4045 10.8123 10.8123 10.8178 10.8178 k = 0.4808 0.3220 0.3562 ( 6920 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5410 0.5410 0.5420 0.5420 4.6640 4.6640 4.6649 4.6649 7.3164 7.3164 7.3551 7.3551 7.7990 7.7990 7.8306 7.8306 8.9395 8.9395 8.9427 8.9427 9.3378 9.3378 9.3540 9.3540 9.3984 9.3984 9.4098 9.4098 10.7712 10.7712 10.7777 10.7777 k = 0.4744 0.3331 0.3562 ( 6928 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5444 0.5444 0.5457 0.5457 4.6733 4.6733 4.6745 4.6745 7.2731 7.2731 7.3204 7.3204 7.8023 7.8023 7.8402 7.8402 8.9399 8.9399 8.9441 8.9441 9.3305 9.3305 9.3515 9.3515 9.3973 9.3973 9.4120 9.4120 10.7206 10.7206 10.7267 10.7267 k = 0.4679 0.3442 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5487 0.5487 0.5503 0.5503 4.6851 4.6851 4.6867 4.6867 7.2218 7.2218 7.2763 7.2763 7.8092 7.8092 7.8523 7.8523 8.9419 8.9419 8.9469 8.9469 9.3241 9.3241 9.3460 9.3460 9.4016 9.4016 9.4158 9.4158 10.6634 10.6634 10.6687 10.6687 k = 0.4615 0.3553 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5539 0.5539 0.5558 0.5558 4.6996 4.6996 4.7017 4.7017 7.1646 7.1646 7.2243 7.2243 7.8158 7.8158 7.8618 7.8618 8.9431 8.9431 8.9488 8.9488 9.3175 9.3175 9.3398 9.3398 9.4093 9.4093 9.4226 9.4226 10.6066 10.6066 10.6102 10.6102 k = 0.4551 0.3664 0.3562 ( 6932 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5600 0.5600 0.5622 0.5622 4.7167 4.7167 4.7193 4.7193 7.1002 7.1002 7.1641 7.1641 7.8227 7.8227 7.8708 7.8708 8.9448 8.9448 8.9511 8.9511 9.3096 9.3096 9.3312 9.3312 9.4212 9.4212 9.4328 9.4328 10.5461 10.5461 10.5479 10.5479 k = 0.4487 0.3775 0.3562 ( 6932 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5669 0.5669 0.5694 0.5694 4.7364 4.7364 4.7396 4.7396 7.0314 7.0314 7.0986 7.0986 7.8290 7.8290 7.8785 7.8785 8.9473 8.9473 8.9540 8.9540 9.3002 9.3002 9.3223 9.3223 9.4309 9.4309 9.4418 9.4418 10.4905 10.4905 10.4909 10.4909 k = 0.4423 0.3886 0.3562 ( 6932 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5746 0.5746 0.5774 0.5774 4.7586 4.7586 4.7625 4.7625 6.9575 6.9575 7.0275 7.0275 7.8347 7.8347 7.8850 7.8850 8.9498 8.9498 8.9566 8.9566 9.2904 9.2904 9.3120 9.3120 9.4439 9.4439 9.4534 9.4534 10.4341 10.4341 10.4366 10.4366 k = 0.4359 0.3997 0.3562 ( 6936 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5829 0.5829 0.5860 0.5860 4.7832 4.7832 4.7881 4.7881 6.8793 6.8793 6.9516 6.9516 7.8389 7.8389 7.8898 7.8898 8.9516 8.9516 8.9586 8.9586 9.2791 9.2791 9.3001 9.3001 9.4585 9.4585 9.4667 9.4667 10.3791 10.3791 10.3836 10.3836 k = 0.4295 0.4108 0.3562 ( 6932 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.5919 0.5919 0.5952 0.5952 4.8103 4.8103 4.8162 4.8162 6.7979 6.7979 6.8723 6.8723 7.8431 7.8431 7.8942 7.8942 8.9545 8.9545 8.9614 8.9614 9.2682 9.2682 9.2886 9.2886 9.4775 9.4775 9.4844 9.4844 10.3289 10.3289 10.3354 10.3354 k = 0.4231 0.4219 0.3562 ( 6928 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.6013 0.6013 0.6050 0.6050 4.8397 4.8397 4.8469 4.8469 6.7136 6.7136 6.7901 6.7901 7.8468 7.8468 7.8979 7.8979 8.9577 8.9577 8.9646 8.9646 9.2570 9.2570 9.2765 9.2765 9.4977 9.4977 9.5032 9.5032 10.2814 10.2814 10.2898 10.2898 k = 0.4167 0.4330 0.3562 ( 6920 PWs) bands (ev): -68.8004 -68.8004 -68.8004 -68.8004 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3017 -37.3017 0.6112 0.6112 0.6150 0.6150 4.8713 4.8713 4.8801 4.8801 6.6272 6.6272 6.7059 6.7059 7.8515 7.8515 7.9026 7.9026 8.9608 8.9608 8.9676 8.9676 9.2484 9.2484 9.2666 9.2666 9.5188 9.5188 9.5225 9.5225 10.2359 10.2359 10.2460 10.2460 k = 0.4103 0.4441 0.3562 ( 6920 PWs) bands (ev): -68.8004 -68.8004 -68.8004 -68.8004 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6213 0.6213 0.6254 0.6254 4.9050 4.9050 4.9156 4.9156 6.5391 6.5391 6.6201 6.6201 7.8535 7.8535 7.9045 7.9045 8.9635 8.9635 8.9700 8.9700 9.2361 9.2361 9.2538 9.2538 9.5383 9.5383 9.5409 9.5409 10.1941 10.1941 10.2060 10.2060 k = 0.4038 0.4552 0.3562 ( 6928 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6316 0.6316 0.6359 0.6359 4.9406 4.9406 4.9536 4.9536 6.4495 6.4495 6.5330 6.5330 7.8541 7.8541 7.9050 7.9050 8.9652 8.9652 8.9714 8.9714 9.2223 9.2223 9.2400 9.2400 9.5573 9.5573 9.5591 9.5591 10.1519 10.1519 10.1655 10.1655 k = 0.3974 0.4663 0.3562 ( 6926 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6419 0.6419 0.6465 0.6465 4.9779 4.9779 4.9938 4.9938 6.3607 6.3607 6.4473 6.4473 7.8545 7.8545 7.9052 7.9052 8.9676 8.9676 8.9737 8.9737 9.2111 9.2111 9.2281 9.2281 9.5784 9.5784 9.5789 9.5789 10.1178 10.1178 10.1329 10.1329 k = 0.3910 0.4774 0.3562 ( 6930 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6520 0.6520 0.6568 0.6568 5.0168 5.0168 5.0362 5.0362 6.2714 6.2714 6.3617 6.3617 7.8553 7.8553 7.9060 7.9060 8.9699 8.9699 8.9757 8.9757 9.1990 9.1990 9.2159 9.2159 9.5975 9.5975 9.5980 9.5980 10.0813 10.0813 10.0981 10.0981 k = 0.3846 0.4885 0.3562 ( 6928 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6619 0.6619 0.6669 0.6669 5.0568 5.0568 5.0807 5.0807 6.1838 6.1838 6.2785 6.2785 7.8548 7.8548 7.9052 7.9052 8.9732 8.9732 8.9788 8.9788 9.1858 9.1858 9.2022 9.2022 9.6200 9.6200 9.6220 9.6220 10.0522 10.0522 10.0708 10.0708 k = 0.3782 0.4996 0.3562 ( 6932 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6713 0.6713 0.6765 0.6765 5.0974 5.0974 5.1270 5.1270 6.0975 6.0975 6.1979 6.1979 7.8544 7.8544 7.9048 7.9048 8.9760 8.9760 8.9816 8.9816 9.1736 9.1736 9.1901 9.1901 9.6388 9.6388 9.6422 9.6422 10.0210 10.0210 10.0414 10.0414 k = 0.3718 0.5107 0.3562 ( 6932 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3017 -37.3017 0.6802 0.6802 0.6855 0.6855 5.1382 5.1382 5.1751 5.1751 6.0135 6.0135 6.1212 6.1212 7.8538 7.8538 7.9041 7.9041 8.9787 8.9787 8.9843 8.9843 9.1613 9.1613 9.1777 9.1777 9.6629 9.6629 9.6681 9.6681 9.9917 9.9917 10.0143 10.0143 k = 0.3654 0.5218 0.3562 ( 6940 PWs) bands (ev): -68.8017 -68.8017 -68.8017 -68.8017 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.6881 0.6881 0.6936 0.6936 5.1778 5.1778 5.2242 5.2242 5.9329 5.9329 6.0502 6.0502 7.8520 7.8520 7.9022 7.9022 8.9810 8.9810 8.9867 8.9867 9.1492 9.1492 9.1657 9.1657 9.6817 9.6817 9.6893 9.6893 9.9631 9.9631 9.9883 9.9883 k = 0.3590 0.5329 0.3562 ( 6928 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3017 -37.3017 0.6951 0.6951 0.7008 0.7008 5.2153 5.2153 5.2739 5.2739 5.8571 5.8571 5.9865 5.9865 7.8531 7.8531 7.9033 7.9033 8.9860 8.9860 8.9918 8.9918 9.1414 9.1414 9.1581 9.1581 9.7060 9.7060 9.7169 9.7169 9.9396 9.9396 9.9682 9.9682 k = 0.3526 0.5440 0.3562 ( 6922 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3017 -37.3017 0.7009 0.7009 0.7066 0.7066 5.2486 5.2486 5.3226 5.3226 5.7873 5.7873 5.9321 5.9321 7.8534 7.8534 7.9037 7.9037 8.9910 8.9910 8.9972 8.9972 9.1350 9.1350 9.1519 9.1519 9.7255 9.7255 9.7409 9.7409 9.9151 9.9151 9.9482 9.9482 k = 0.3462 0.5551 0.3562 ( 6938 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7053 0.7053 0.7110 0.7110 5.2751 5.2751 5.3676 5.3676 5.7264 5.7264 5.8898 5.8898 7.8498 7.8498 7.9000 7.9000 8.9925 8.9925 8.9992 8.9992 9.1233 9.1233 9.1408 9.1408 9.7411 9.7411 9.7633 9.7633 9.8859 9.8859 9.9261 9.9261 k = 0.3397 0.5662 0.3562 ( 6930 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7080 0.7080 0.7139 0.7139 5.2924 5.2924 5.4028 5.4028 5.6819 5.6819 5.8631 5.8631 7.8504 7.8504 7.9006 7.9006 8.9957 8.9957 9.0027 9.0027 9.1200 9.1200 9.1378 9.1378 9.7557 9.7557 9.7866 9.7866 9.8666 9.8666 9.9155 9.9155 k = 0.3333 0.5774 0.3562 ( 6930 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7090 0.7090 0.7148 0.7148 5.2983 5.2983 5.4168 5.4168 5.6647 5.6647 5.8539 5.8539 7.8503 7.8503 7.9005 7.9005 8.9965 8.9965 9.0036 9.0036 9.1184 9.1184 9.1363 9.1363 9.7600 9.7600 9.7963 9.7963 9.8568 9.8568 9.9110 9.9110 k = 0.3333 0.5774 0.3562 ( 6930 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7090 0.7090 0.7148 0.7148 5.2983 5.2983 5.4168 5.4168 5.6647 5.6647 5.8539 5.8539 7.8503 7.8503 7.9005 7.9005 8.9965 8.9965 9.0036 9.0036 9.1184 9.1184 9.1363 9.1363 9.7600 9.7600 9.7963 9.7963 9.8568 9.8568 9.9110 9.9110 k = 0.3268 0.5660 0.3562 ( 6930 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7079 0.7079 0.7138 0.7138 5.2926 5.2926 5.4031 5.4031 5.6818 5.6818 5.8631 5.8631 7.8504 7.8504 7.9006 7.9006 8.9956 8.9956 9.0026 9.0026 9.1202 9.1202 9.1380 9.1380 9.7555 9.7555 9.7863 9.7863 9.8669 9.8669 9.9157 9.9157 k = 0.3203 0.5547 0.3562 ( 6934 PWs) bands (ev): -68.8013 -68.8013 -68.8013 -68.8013 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7046 0.7046 0.7104 0.7104 5.2774 5.2774 5.3711 5.3711 5.7242 5.7242 5.8887 5.8887 7.8505 7.8505 7.9007 7.9007 8.9922 8.9922 8.9987 8.9987 9.1251 9.1251 9.1425 9.1425 9.7416 9.7416 9.7637 9.7637 9.8875 9.8875 9.9275 9.9275 k = 0.3137 0.5434 0.3562 ( 6926 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.6989 0.6989 0.7046 0.7046 5.2565 5.2565 5.3335 5.3335 5.7797 5.7797 5.9274 5.9274 7.8522 7.8522 7.9024 7.9024 8.9901 8.9901 8.9961 8.9961 9.1351 9.1351 9.1521 9.1521 9.7247 9.7247 9.7401 9.7401 9.9151 9.9151 9.9483 9.9483 k = 0.3072 0.5321 0.3562 ( 6926 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3017 -37.3017 0.6906 0.6906 0.6962 0.6962 5.2333 5.2333 5.2964 5.2964 5.8418 5.8418 5.9757 5.9757 7.8541 7.8541 7.9043 7.9043 8.9828 8.9828 8.9883 8.9883 9.1472 9.1472 9.1638 9.1638 9.7050 9.7050 9.7160 9.7160 9.9398 9.9398 9.9688 9.9688 k = 0.3007 0.5207 0.3562 ( 6932 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.6795 0.6795 0.6850 0.6850 5.2102 5.2102 5.2626 5.2626 5.9076 5.9076 6.0307 6.0307 7.8562 7.8562 7.9062 7.9062 8.9766 8.9766 8.9820 8.9820 9.1632 9.1632 9.1797 9.1797 9.6788 9.6788 9.6870 9.6870 9.9598 9.9598 9.9858 9.9858 k = 0.2941 0.5094 0.3562 ( 6922 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6658 0.6658 0.6711 0.6711 5.1898 5.1898 5.2339 5.2339 5.9763 5.9763 6.0910 6.0910 7.8591 7.8591 7.9089 7.9089 8.9718 8.9718 8.9768 8.9768 9.1817 9.1817 9.1978 9.1978 9.6574 9.6574 9.6633 9.6633 9.9892 9.9892 10.0128 10.0128 k = 0.2876 0.4981 0.3562 ( 6918 PWs) bands (ev): -68.8002 -68.8002 -68.8002 -68.8002 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6492 0.6492 0.6544 0.6544 5.1730 5.1730 5.2107 5.2107 6.0467 6.0467 6.1549 6.1549 7.8623 7.8623 7.9118 7.9118 8.9652 8.9652 8.9704 8.9704 9.2012 9.2012 9.2178 9.2178 9.6347 9.6347 9.6391 9.6391 10.0149 10.0149 10.0370 10.0370 k = 0.2810 0.4868 0.3562 ( 6918 PWs) bands (ev): -68.8002 -68.8002 -68.8002 -68.8002 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6298 0.6298 0.6347 0.6347 5.1607 5.1607 5.1934 5.1934 6.1184 6.1184 6.2213 6.2213 7.8636 7.8636 7.9128 7.9128 8.9575 8.9575 8.9627 8.9627 9.2212 9.2212 9.2383 9.2383 9.6135 9.6135 9.6164 9.6164 10.0419 10.0419 10.0626 10.0626 k = 0.2745 0.4755 0.3562 ( 6926 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.6075 0.6075 0.6123 0.6123 5.1535 5.1535 5.1823 5.1823 6.1906 6.1906 6.2893 6.2893 7.8652 7.8652 7.9138 7.9138 8.9500 8.9500 8.9555 8.9555 9.2396 9.2396 9.2577 9.2577 9.5884 9.5884 9.5901 9.5901 10.0681 10.0681 10.0878 10.0878 k = 0.2680 0.4641 0.3562 ( 6926 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3019 -37.3019 -37.3017 -37.3017 0.5825 0.5825 0.5870 0.5870 5.1518 5.1518 5.1775 5.1775 6.2635 6.2635 6.3587 6.3587 7.8691 7.8691 7.9171 7.9171 8.9440 8.9440 8.9500 8.9500 9.2641 9.2641 9.2836 9.2836 9.5611 9.5611 9.5615 9.5615 10.0954 10.0954 10.1142 10.1142 k = 0.2614 0.4528 0.3562 ( 6920 PWs) bands (ev): -68.8004 -68.8004 -68.8004 -68.8004 -38.5941 -38.5941 -38.5940 -38.5940 -37.4482 -37.4482 -37.4481 -37.4481 -37.3018 -37.3018 -37.3016 -37.3016 0.5548 0.5548 0.5590 0.5590 5.1558 5.1558 5.1791 5.1791 6.3369 6.3369 6.4292 6.4292 7.8729 7.8729 7.9202 7.9202 8.9374 8.9374 8.9438 8.9438 9.2924 9.2924 9.3134 9.3134 9.5395 9.5395 9.5402 9.5402 10.1227 10.1227 10.1410 10.1410 k = 0.2549 0.4415 0.3562 ( 6924 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4481 -37.4481 -37.3018 -37.3018 -37.3016 -37.3016 0.5245 0.5245 0.5285 0.5285 5.1655 5.1655 5.1868 5.1868 6.4099 6.4099 6.4996 6.4996 7.8765 7.8765 7.9228 7.9228 8.9303 8.9303 8.9376 8.9376 9.3155 9.3155 9.3388 9.3388 9.5173 9.5173 9.5191 9.5191 10.1491 10.1491 10.1669 10.1669 k = 0.2484 0.4302 0.3562 ( 6928 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3018 -37.3018 -37.3016 -37.3016 0.4918 0.4918 0.4955 0.4955 5.1810 5.1810 5.2008 5.2008 6.4826 6.4826 6.5699 6.5699 7.8796 7.8796 7.9248 7.9248 8.9229 8.9229 8.9309 8.9309 9.3381 9.3381 9.3634 9.3634 9.4985 9.4985 9.5010 9.5010 10.1780 10.1780 10.1954 10.1954 k = 0.2418 0.4189 0.3562 ( 6922 PWs) bands (ev): -68.8007 -68.8007 -68.8007 -68.8007 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3017 -37.3017 -37.3016 -37.3016 0.4569 0.4569 0.4603 0.4603 5.2021 5.2021 5.2205 5.2205 6.5545 6.5545 6.6395 6.6395 7.8854 7.8854 7.9293 7.9293 8.9198 8.9198 8.9288 8.9288 9.3543 9.3543 9.3796 9.3796 9.4968 9.4968 9.4974 9.4974 10.2040 10.2040 10.2210 10.2210 k = 0.2353 0.4075 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3017 -37.3017 -37.3015 -37.3015 0.4199 0.4199 0.4231 0.4231 5.2286 5.2286 5.2460 5.2460 6.6253 6.6253 6.7079 6.7079 7.8886 7.8886 7.9309 7.9309 8.9124 8.9124 8.9227 8.9227 9.3544 9.3544 9.3763 9.3763 9.5080 9.5080 9.5130 9.5130 10.2301 10.2301 10.2468 10.2468 k = 0.2288 0.3962 0.3562 ( 6946 PWs) bands (ev): -68.8024 -68.8024 -68.8024 -68.8024 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3015 -37.3015 0.3811 0.3811 0.3841 0.3841 5.2602 5.2602 5.2767 5.2767 6.6943 6.6943 6.7745 6.7745 7.8909 7.8909 7.9315 7.9315 8.9041 8.9041 8.9155 8.9155 9.3436 9.3436 9.3615 9.3615 9.5314 9.5314 9.5431 9.5431 10.2531 10.2531 10.2695 10.2695 k = 0.2222 0.3849 0.3562 ( 6934 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3016 -37.3016 -37.3015 -37.3015 0.3408 0.3408 0.3435 0.3435 5.2974 5.2974 5.3132 5.3132 6.7631 6.7631 6.8410 6.8410 7.8965 7.8965 7.9353 7.9353 8.9018 8.9018 8.9144 8.9144 9.3302 9.3302 9.3453 9.3453 9.5714 9.5714 9.5886 9.5886 10.2823 10.2823 10.2983 10.2983 k = 0.2157 0.3736 0.3562 ( 6938 PWs) bands (ev): -68.8019 -68.8019 -68.8019 -68.8019 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3016 -37.3016 -37.3014 -37.3014 0.2991 0.2991 0.3016 0.3016 5.3393 5.3393 5.3544 5.3544 6.8291 6.8291 6.9043 6.9043 7.9002 7.9002 7.9368 7.9368 8.8972 8.8972 8.9111 8.9111 9.3101 9.3101 9.3238 9.3238 9.6151 9.6151 9.6372 9.6372 10.3088 10.3088 10.3244 10.3244 k = 0.2092 0.3623 0.3562 ( 6934 PWs) bands (ev): -68.8016 -68.8016 -68.8016 -68.8016 -38.5940 -38.5940 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3015 -37.3015 -37.3014 -37.3014 0.2563 0.2563 0.2585 0.2585 5.3858 5.3858 5.4005 5.4005 6.8936 6.8936 6.9660 6.9660 7.9058 7.9058 7.9401 7.9401 8.8958 8.8958 8.9111 8.9111 9.2875 9.2875 9.3004 9.3004 9.6657 9.6657 9.6922 9.6922 10.3357 10.3357 10.3509 10.3509 k = 0.2026 0.3509 0.3562 ( 6926 PWs) bands (ev): -68.8011 -68.8011 -68.8011 -68.8011 -38.5939 -38.5939 -38.5939 -38.5939 -37.4482 -37.4482 -37.4481 -37.4481 -37.3014 -37.3014 -37.3013 -37.3013 0.2126 0.2126 0.2146 0.2146 5.4367 5.4367 5.4509 5.4509 6.9561 6.9561 7.0256 7.0256 7.9110 7.9110 7.9430 7.9430 8.8948 8.8948 8.9116 8.9116 9.2672 9.2672 9.2799 9.2799 9.7226 9.7226 9.7534 9.7534 10.3622 10.3622 10.3769 10.3769 k = 0.1961 0.3396 0.3562 ( 6922 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5939 -38.5939 -38.5939 -38.5939 -37.4481 -37.4481 -37.4481 -37.4481 -37.3014 -37.3014 -37.3013 -37.3013 0.1683 0.1683 0.1701 0.1701 5.4914 5.4914 5.5052 5.5052 7.0156 7.0156 7.0820 7.0820 7.9151 7.9151 7.9445 7.9445 8.8936 8.8936 8.9116 8.9116 9.2479 9.2479 9.2605 9.2605 9.7823 9.7823 9.8179 9.8179 10.3873 10.3873 10.4013 10.4013 k = 0.1895 0.3283 0.3562 ( 6918 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5939 -38.5939 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3013 -37.3013 -37.3012 -37.3012 0.1235 0.1235 0.1252 0.1252 5.5501 5.5501 5.5635 5.5635 7.0727 7.0727 7.1356 7.1356 7.9195 7.9195 7.9463 7.9463 8.8934 8.8934 8.9128 8.9128 9.2269 9.2269 9.2396 9.2396 9.8455 9.8455 9.8860 9.8860 10.4120 10.4120 10.4253 10.4253 k = 0.1830 0.3170 0.3562 ( 6920 PWs) bands (ev): -68.8006 -68.8006 -68.8006 -68.8006 -38.5939 -38.5939 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3013 -37.3013 -37.3012 -37.3012 0.0786 0.0786 0.0800 0.0800 5.6122 5.6122 5.6251 5.6251 7.1266 7.1266 7.1858 7.1858 7.9226 7.9226 7.9466 7.9466 8.8919 8.8919 8.9129 8.9129 9.2041 9.2041 9.2175 9.2175 9.9120 9.9120 9.9581 9.9581 10.4353 10.4353 10.4479 10.4479 k = 0.1765 0.3057 0.3562 ( 6924 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5939 -38.5939 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3012 -37.3012 -37.3012 -37.3012 0.0336 0.0336 0.0349 0.0349 5.6769 5.6769 5.6895 5.6895 7.1772 7.1772 7.2325 7.2325 7.9250 7.9250 7.9459 7.9459 8.8908 8.8908 8.9134 8.9134 9.1845 9.1845 9.1983 9.1983 9.9825 9.9825 10.0344 10.0344 10.4537 10.4537 10.4656 10.4656 k = 0.1699 0.2943 0.3562 ( 6928 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3012 -37.3012 -37.3011 -37.3011 -0.0111 -0.0111 -0.0100 -0.0100 5.7444 5.7444 5.7566 5.7566 7.2244 7.2244 7.2754 7.2754 7.9269 7.9269 7.9445 7.9445 8.8894 8.8894 8.9124 8.9124 9.1692 9.1692 9.1828 9.1828 10.0556 10.0556 10.1135 10.1135 10.4705 10.4705 10.4813 10.4813 k = 0.1634 0.2830 0.3562 ( 6932 PWs) bands (ev): -68.8015 -68.8015 -68.8015 -68.8015 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4481 -37.4481 -37.3011 -37.3011 -37.3011 -37.3011 -0.0555 -0.0555 -0.0545 -0.0545 5.8144 5.8144 5.8262 5.8262 7.2689 7.2689 7.3158 7.3158 7.9282 7.9282 7.9428 7.9428 8.8903 8.8903 8.9147 8.9147 9.1496 9.1496 9.1638 9.1638 10.1328 10.1328 10.1975 10.1975 10.4838 10.4838 10.4942 10.4942 k = 0.1569 0.2717 0.3562 ( 6928 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5938 -38.5938 -38.5938 -38.5938 -37.4481 -37.4481 -37.4480 -37.4480 -37.3011 -37.3011 -37.3010 -37.3010 -0.0993 -0.0993 -0.0984 -0.0984 5.8871 5.8871 5.8985 5.8985 7.3106 7.3106 7.3531 7.3531 7.9296 7.9296 7.9412 7.9412 8.8923 8.8923 8.9178 8.9178 9.1332 9.1332 9.1481 9.1481 10.2127 10.2127 10.2856 10.2856 10.4971 10.4971 10.5081 10.5081 k = 0.1503 0.2604 0.3562 ( 6924 PWs) bands (ev): -68.8009 -68.8009 -68.8009 -68.8009 -38.5938 -38.5938 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3010 -37.3010 -37.3009 -37.3009 -0.1423 -0.1423 -0.1416 -0.1416 5.9613 5.9613 5.9723 5.9723 7.3489 7.3489 7.3869 7.3869 7.9307 7.9307 7.9393 7.9393 8.8953 8.8953 8.9217 8.9217 9.1192 9.1192 9.1345 9.1345 10.2941 10.2941 10.3772 10.3772 10.5048 10.5048 10.5184 10.5184 k = 0.1438 0.2491 0.3562 ( 6918 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3009 -37.3009 -37.3009 -37.3009 -0.1845 -0.1845 -0.1838 -0.1838 6.0372 6.0372 6.0477 6.0477 7.3844 7.3844 7.4183 7.4183 7.9306 7.9306 7.9366 7.9366 8.8992 8.8992 8.9263 8.9263 9.1074 9.1074 9.1232 9.1232 10.3704 10.3704 10.4663 10.4663 10.5119 10.5119 10.5309 10.5309 k = 0.1373 0.2377 0.3562 ( 6918 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3009 -37.3009 -37.3008 -37.3008 -0.2256 -0.2256 -0.2251 -0.2251 6.1141 6.1141 6.1241 6.1241 7.4167 7.4167 7.4464 7.4464 7.9282 7.9282 7.9317 7.9317 8.9031 8.9031 8.9310 8.9310 9.0947 9.0947 9.1111 9.1111 10.4272 10.4272 10.4952 10.4952 10.5593 10.5593 10.5751 10.5751 k = 0.1307 0.2264 0.3562 ( 6926 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3008 -37.3008 -37.3008 -37.3008 -0.2657 -0.2657 -0.2652 -0.2652 6.1917 6.1917 6.2011 6.2011 7.4448 7.4448 7.4702 7.4702 7.9256 7.9256 7.9267 7.9267 8.9054 8.9054 8.9344 8.9344 9.0804 9.0804 9.0979 9.0979 10.4475 10.4475 10.4863 10.4863 10.6190 10.6190 10.6705 10.6705 k = 0.1242 0.2151 0.3562 ( 6938 PWs) bands (ev): -68.8018 -68.8018 -68.8018 -68.8018 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3008 -37.3008 -37.3008 -37.3008 -0.3044 -0.3044 -0.3040 -0.3040 6.2697 6.2697 6.2785 6.2785 7.4710 7.4710 7.4924 7.4924 7.9206 7.9206 7.9215 7.9215 8.9049 8.9049 8.9338 8.9338 9.0673 9.0673 9.0852 9.0852 10.4406 10.4406 10.4676 10.4676 10.7019 10.7019 10.7707 10.7707 k = 0.1176 0.2038 0.3562 ( 6930 PWs) bands (ev): -68.8013 -68.8013 -68.8012 -68.8012 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3007 -37.3007 -37.3007 -37.3007 -0.3417 -0.3417 -0.3413 -0.3413 6.3485 6.3485 6.3568 6.3568 7.4953 7.4953 7.5131 7.5131 7.9146 7.9146 7.9173 7.9173 8.9123 8.9123 8.9405 8.9405 9.0607 9.0607 9.0783 9.0783 10.4247 10.4247 10.4466 10.4466 10.7962 10.7962 10.8743 10.8743 k = 0.1111 0.1925 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5937 -38.5937 -38.5937 -38.5937 -37.4480 -37.4480 -37.4480 -37.4480 -37.3007 -37.3007 -37.3007 -37.3007 -0.3775 -0.3775 -0.3772 -0.3772 6.4271 6.4271 6.4347 6.4347 7.5165 7.5165 7.5308 7.5308 7.9086 7.9086 7.9128 7.9128 8.9163 8.9163 8.9442 8.9442 9.0522 9.0522 9.0699 9.0699 10.4004 10.4004 10.4189 10.4189 10.8939 10.8939 10.9789 10.9789 k = 0.1046 0.1811 0.3562 ( 6930 PWs) bands (ev): -68.8012 -68.8012 -68.8012 -68.8012 -38.5936 -38.5936 -38.5936 -38.5936 -37.4480 -37.4480 -37.4480 -37.4480 -37.3006 -37.3006 -37.3006 -37.3006 -0.4117 -0.4117 -0.4115 -0.4115 6.5052 6.5052 6.5121 6.5121 7.5360 7.5360 7.5472 7.5472 7.9008 7.9008 7.9060 7.9060 8.9213 8.9213 8.9483 8.9483 9.0452 9.0452 9.0628 9.0628 10.3715 10.3715 10.3875 10.3875 10.9930 10.9930 11.0825 11.0825 k = 0.0980 0.1698 0.3562 ( 6914 PWs) bands (ev): -68.8001 -68.8001 -68.8001 -68.8001 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3005 -37.3005 -37.3005 -37.3005 -0.4442 -0.4442 -0.4440 -0.4440 6.5836 6.5836 6.5899 6.5899 7.5559 7.5559 7.5643 7.5643 7.8943 7.8943 7.9008 7.9008 8.9291 8.9291 8.9553 8.9553 9.0398 9.0398 9.0575 9.0575 10.3407 10.3407 10.3544 10.3544 11.0982 11.0982 11.1901 11.1901 k = 0.0915 0.1585 0.3562 ( 6910 PWs) bands (ev): -68.7998 -68.7998 -68.7998 -68.7998 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3005 -37.3005 -37.3005 -37.3005 -0.4750 -0.4750 -0.4748 -0.4748 6.6601 6.6601 6.6658 6.6658 7.5712 7.5712 7.5773 7.5773 7.8857 7.8857 7.8926 7.8926 8.9369 8.9369 8.9622 8.9622 9.0342 9.0342 9.0517 9.0517 10.3053 10.3053 10.3170 10.3170 11.2011 11.2011 11.2943 11.2943 k = 0.0850 0.1472 0.3562 ( 6912 PWs) bands (ev): -68.7999 -68.7999 -68.7999 -68.7999 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3004 -37.3004 -37.3004 -37.3004 -0.5039 -0.5039 -0.5038 -0.5038 6.7353 6.7353 6.7403 6.7403 7.5849 7.5849 7.5890 7.5890 7.8757 7.8757 7.8829 7.8829 8.9418 8.9418 8.9661 8.9661 9.0273 9.0273 9.0447 9.0447 10.2678 10.2678 10.2777 10.2777 11.3035 11.3035 11.3961 11.3961 k = 0.0784 0.1358 0.3562 ( 6904 PWs) bands (ev): -68.7994 -68.7994 -68.7994 -68.7994 -38.5936 -38.5936 -38.5936 -38.5936 -37.4479 -37.4479 -37.4479 -37.4479 -37.3004 -37.3004 -37.3004 -37.3004 -0.5309 -0.5309 -0.5308 -0.5308 6.8094 6.8094 6.8138 6.8138 7.5965 7.5965 7.5991 7.5991 7.8671 7.8671 7.8740 7.8740 8.9498 8.9498 8.9727 8.9727 9.0226 9.0226 9.0397 9.0397 10.2311 10.2311 10.2393 10.2393 11.4070 11.4070 11.4981 11.4981 k = 0.0719 0.1245 0.3562 ( 6904 PWs) bands (ev): -68.7994 -68.7994 -68.7994 -68.7994 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.5560 -0.5560 -0.5559 -0.5559 6.8805 6.8805 6.8845 6.8845 7.6063 7.6063 7.6081 7.6081 7.8569 7.8569 7.8632 7.8632 8.9562 8.9562 8.9774 8.9774 9.0170 9.0170 9.0333 9.0333 10.1934 10.1934 10.2000 10.2000 11.5074 11.5074 11.5941 11.5941 k = 0.0654 0.1132 0.3562 ( 6908 PWs) bands (ev): -68.7996 -68.7996 -68.7996 -68.7996 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.5791 -0.5791 -0.5790 -0.5790 6.9489 6.9489 6.9521 6.9521 7.6141 7.6141 7.6141 7.6141 7.8459 7.8459 7.8522 7.8522 8.9624 8.9624 8.9809 8.9809 9.0125 9.0125 9.0270 9.0270 10.1545 10.1545 10.1596 10.1596 11.6064 11.6064 11.6876 11.6876 k = 0.0588 0.1019 0.3562 ( 6912 PWs) bands (ev): -68.7999 -68.7999 -68.7999 -68.7999 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6001 -0.6001 -0.6000 -0.6000 7.0141 7.0141 7.0167 7.0167 7.6204 7.6204 7.6211 7.6211 7.8342 7.8342 7.8399 7.8399 8.9667 8.9667 8.9839 8.9839 9.0075 9.0075 9.0216 9.0216 10.1175 10.1175 10.1214 10.1214 11.7017 11.7017 11.7742 11.7742 k = 0.0523 0.0906 0.3562 ( 6916 PWs) bands (ev): -68.8001 -68.8001 -68.8001 -68.8001 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6190 -0.6190 -0.6189 -0.6189 7.0757 7.0757 7.0775 7.0775 7.6254 7.6254 7.6269 7.6269 7.8216 7.8216 7.8267 7.8267 8.9713 8.9713 8.9859 8.9859 9.0056 9.0056 9.0177 9.0177 10.0825 10.0825 10.0853 10.0853 11.7909 11.7909 11.8532 11.8532 k = 0.0458 0.0792 0.3562 ( 6912 PWs) bands (ev): -68.7999 -68.7999 -68.7999 -68.7999 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6357 -0.6357 -0.6357 -0.6357 7.1345 7.1345 7.1358 7.1358 7.6304 7.6304 7.6323 7.6323 7.8099 7.8099 7.8143 7.8143 8.9764 8.9764 8.9891 8.9891 9.0022 9.0022 9.0132 9.0132 10.0518 10.0518 10.0537 10.0537 11.8764 11.8764 11.9265 11.9265 k = 0.0392 0.0679 0.3562 ( 6908 PWs) bands (ev): -68.7996 -68.7996 -68.7996 -68.7996 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6503 -0.6503 -0.6503 -0.6503 7.1882 7.1882 7.1890 7.1890 7.6347 7.6347 7.6371 7.6371 7.7975 7.7975 7.8015 7.8015 8.9820 8.9820 8.9918 8.9918 9.0013 9.0013 9.0100 9.0100 10.0232 10.0232 10.0244 10.0244 11.9533 11.9533 11.9897 11.9897 k = 0.0327 0.0566 0.3562 ( 6918 PWs) bands (ev): -68.8002 -68.8002 -68.8002 -68.8002 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6627 -0.6627 -0.6627 -0.6627 7.2350 7.2350 7.2357 7.2357 7.6376 7.6376 7.6401 7.6401 7.7832 7.7832 7.7870 7.7870 8.9832 8.9832 8.9915 8.9915 8.9983 8.9983 9.0059 9.0059 9.9962 9.9962 9.9969 9.9969 12.0178 12.0178 12.0401 12.0401 k = 0.0261 0.0453 0.3562 ( 6926 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6729 -0.6729 -0.6729 -0.6729 7.2765 7.2765 7.2768 7.2768 7.6397 7.6397 7.6419 7.6419 7.7700 7.7700 7.7729 7.7729 8.9839 8.9839 8.9903 8.9903 8.9957 8.9957 9.0017 9.0017 9.9744 9.9744 9.9748 9.9748 12.0702 12.0702 12.0825 12.0825 k = 0.0196 0.0340 0.3562 ( 6926 PWs) bands (ev): -68.8008 -68.8008 -68.8008 -68.8008 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6808 -0.6808 -0.6808 -0.6808 7.3114 7.3114 7.3115 7.3115 7.6418 7.6418 7.6437 7.6437 7.7583 7.7583 7.7605 7.7605 8.9873 8.9873 8.9908 8.9908 8.9957 8.9957 8.9990 8.9990 9.9573 9.9573 9.9574 9.9574 12.1113 12.1113 12.1163 12.1163 k = 0.0131 0.0226 0.3562 ( 6942 PWs) bands (ev): -68.8019 -68.8019 -68.8019 -68.8019 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6865 -0.6865 -0.6865 -0.6865 7.3363 7.3363 7.3364 7.3364 7.6414 7.6414 7.6434 7.6434 7.7463 7.7463 7.7486 7.7486 8.9876 8.9876 8.9894 8.9894 8.9933 8.9933 8.9950 8.9950 9.9415 9.9415 9.9416 9.9416 12.1381 12.1381 12.1382 12.1382 k = 0.0065 0.0113 0.3562 ( 6956 PWs) bands (ev): -68.8029 -68.8029 -68.8029 -68.8029 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3002 -37.3002 -37.3002 -37.3002 -0.6900 -0.6900 -0.6900 -0.6900 7.3516 7.3516 7.3519 7.3519 7.6412 7.6412 7.6419 7.6419 7.7384 7.7384 7.7394 7.7394 8.9878 8.9878 8.9886 8.9886 8.9910 8.9910 8.9918 8.9918 9.9312 9.9312 9.9312 9.9312 12.1513 12.1513 12.1522 12.1522 k = 0.0000 0.0000 0.3562 ( 6968 PWs) bands (ev): -68.8037 -68.8037 -68.8037 -68.8037 -38.5935 -38.5935 -38.5935 -38.5935 -37.4479 -37.4479 -37.4479 -37.4479 -37.3003 -37.3003 -37.3003 -37.3003 -0.6911 -0.6911 -0.6911 -0.6911 7.3569 7.3569 7.3569 7.3569 7.6406 7.6406 7.6406 7.6406 7.7349 7.7349 7.7349 7.7349 8.9866 8.9866 8.9866 8.9866 8.9873 8.9873 8.9873 8.9873 9.9279 9.9279 9.9279 9.9279 12.1552 12.1552 12.1552 12.1552 k = 0.5000 0.2887 0.3562 ( 6920 PWs) bands (ev): -68.8005 -68.8005 -68.8005 -68.8005 -38.5940 -38.5940 -38.5940 -38.5940 -37.4482 -37.4482 -37.4482 -37.4482 -37.3017 -37.3017 -37.3017 -37.3017 0.5369 0.5369 0.5369 0.5369 4.6523 4.6523 4.6523 4.6523 7.3898 7.3898 7.3898 7.3898 7.8011 7.8011 7.8011 7.8011 8.9380 8.9380 8.9380 8.9380 9.3493 9.3493 9.3493 9.3493 9.4002 9.4002 9.4002 9.4002 10.8549 10.8549 10.8549 10.8549 k = 0.5000 0.2887 0.3434 ( 6928 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5949 -38.5949 -38.5931 -38.5931 -37.4496 -37.4496 -37.4468 -37.4468 -37.3020 -37.3020 -37.3014 -37.3014 0.5223 0.5223 0.5509 0.5509 4.6156 4.6156 4.6929 4.6929 7.3746 7.3746 7.4031 7.4031 7.7719 7.7719 7.8280 7.8280 8.8923 8.8923 8.9795 8.9795 9.3348 9.3348 9.3586 9.3586 9.3898 9.3898 9.4088 9.4088 10.7703 10.7703 10.9392 10.9392 k = 0.5000 0.2887 0.3307 ( 6936 PWs) bands (ev): -68.8024 -68.8024 -68.8008 -68.8008 -38.5958 -38.5958 -38.5923 -38.5923 -37.4509 -37.4509 -37.4455 -37.4455 -37.3023 -37.3023 -37.3011 -37.3011 0.5071 0.5071 0.5643 0.5643 4.5830 4.5830 4.7376 4.7376 7.3592 7.3592 7.4151 7.4151 7.7420 7.7420 7.8537 7.8537 8.8481 8.8481 9.0170 9.0170 9.3198 9.3198 9.3657 9.3657 9.3829 9.3829 9.4194 9.4194 10.6871 10.6871 11.0264 11.0264 k = 0.5000 0.2887 0.3180 ( 6932 PWs) bands (ev): -68.8024 -68.8024 -68.8003 -68.8003 -38.5966 -38.5966 -38.5914 -38.5914 -37.4523 -37.4523 -37.4441 -37.4441 -37.3025 -37.3025 -37.3009 -37.3009 0.4915 0.4915 0.5769 0.5769 4.5547 4.5547 4.7867 4.7867 7.3439 7.3439 7.4275 7.4275 7.7143 7.7143 7.8776 7.8776 8.8041 8.8041 9.0553 9.0553 9.3081 9.3081 9.3636 9.3636 9.3895 9.3895 9.4338 9.4338 10.6100 10.6100 11.1159 11.1159 k = 0.5000 0.2887 0.3053 ( 6940 PWs) bands (ev): -68.8038 -68.8038 -68.8001 -68.8001 -38.5975 -38.5975 -38.5906 -38.5906 -37.4536 -37.4536 -37.4428 -37.4428 -37.3028 -37.3028 -37.3006 -37.3006 0.4755 0.4755 0.5887 0.5887 4.5304 4.5304 4.8394 4.8394 7.3284 7.3284 7.4361 7.4361 7.6868 7.6868 7.8990 7.8990 8.7566 8.7566 9.0887 9.0887 9.2939 9.2939 9.3546 9.3546 9.3981 9.3981 9.4454 9.4454 10.5317 10.5317 11.2075 11.2075 k = 0.5000 0.2887 0.2926 ( 6936 PWs) bands (ev): -68.8030 -68.8030 -68.8004 -68.8004 -38.5984 -38.5984 -38.5897 -38.5897 -37.4550 -37.4550 -37.4414 -37.4414 -37.3030 -37.3030 -37.3003 -37.3003 0.4593 0.4593 0.5996 0.5996 4.5102 4.5102 4.8960 4.8960 7.3134 7.3134 7.4439 7.4439 7.6648 7.6648 7.9176 7.9176 8.7103 8.7103 9.1223 9.1223 9.2831 9.2831 9.3503 9.3503 9.4070 9.4070 9.4566 9.4566 10.4629 10.4629 11.3006 11.3006 k = 0.5000 0.2887 0.2798 ( 6932 PWs) bands (ev): -68.8032 -68.8032 -68.7996 -68.7996 -38.5992 -38.5992 -38.5889 -38.5889 -37.4562 -37.4562 -37.4401 -37.4401 -37.3033 -37.3033 -37.3000 -37.3000 0.4430 0.4430 0.6097 0.6097 4.4942 4.4942 4.9564 4.9564 7.2989 7.2989 7.4457 7.4457 7.6460 7.6460 7.9344 7.9344 8.6644 8.6644 9.1542 9.1542 9.2741 9.2741 9.3419 9.3419 9.4164 9.4164 9.4701 9.4701 10.3941 10.3941 11.3894 11.3894 k = 0.5000 0.2887 0.2671 ( 6932 PWs) bands (ev): -68.8029 -68.8029 -68.7999 -68.7999 -38.6001 -38.6001 -38.5881 -38.5881 -37.4575 -37.4575 -37.4387 -37.4387 -37.3036 -37.3036 -37.2998 -37.2998 0.4266 0.4266 0.6188 0.6188 4.4818 4.4818 5.0201 5.0201 7.2845 7.2845 7.4411 7.4411 7.6340 7.6340 7.9471 7.9471 8.6137 8.6137 9.1809 9.1809 9.2704 9.2704 9.3340 9.3340 9.4226 9.4226 9.4821 9.4821 10.3327 10.3327 11.3747 11.3747 k = 0.5000 0.2887 0.2544 ( 6934 PWs) bands (ev): -68.8031 -68.8031 -68.8000 -68.8000 -38.6009 -38.6009 -38.5873 -38.5873 -37.4588 -37.4588 -37.4374 -37.4374 -37.3038 -37.3038 -37.2996 -37.2996 0.4102 0.4102 0.6271 0.6271 4.4733 4.4733 5.0875 5.0875 7.2703 7.2703 7.4286 7.4286 7.6290 7.6290 7.9555 7.9555 8.5644 8.5644 9.1944 9.1944 9.2741 9.2741 9.3258 9.3258 9.4297 9.4297 9.4943 9.4943 10.2698 10.2698 11.3031 11.3031 k = 0.5000 0.2887 0.2417 ( 6938 PWs) bands (ev): -68.8039 -68.8039 -68.7998 -68.7998 -38.6017 -38.6017 -38.5865 -38.5865 -37.4600 -37.4600 -37.4362 -37.4362 -37.3041 -37.3041 -37.2993 -37.2993 0.3940 0.3940 0.6344 0.6344 4.4684 4.4684 5.1586 5.1586 7.2560 7.2560 7.4093 7.4093 7.6295 7.6295 7.9601 7.9601 8.5148 8.5148 9.1961 9.1961 9.2876 9.2876 9.3152 9.3152 9.4353 9.4353 9.5088 9.5088 10.2079 10.2079 11.2306 11.2306 k = 0.5000 0.2887 0.2290 ( 6934 PWs) bands (ev): -68.8035 -68.8035 -68.7996 -68.7996 -38.6025 -38.6025 -38.5858 -38.5858 -37.4611 -37.4611 -37.4350 -37.4350 -37.3043 -37.3043 -37.2991 -37.2991 0.3781 0.3781 0.6409 0.6409 4.4669 4.4669 5.2326 5.2326 7.2427 7.2427 7.3868 7.3868 7.6362 7.6362 7.9604 7.9604 8.4651 8.4651 9.1917 9.1917 9.3086 9.3086 9.3092 9.3092 9.4409 9.4409 9.5223 9.5223 10.1549 10.1549 11.1609 11.1609 k = 0.5000 0.2887 0.2162 ( 6938 PWs) bands (ev): -68.8043 -68.8043 -68.7994 -68.7994 -38.6032 -38.6032 -38.5851 -38.5851 -37.4622 -37.4622 -37.4338 -37.4338 -37.3045 -37.3045 -37.2989 -37.2989 0.3624 0.3624 0.6465 0.6465 4.4686 4.4686 5.3096 5.3096 7.2299 7.2299 7.3606 7.3606 7.6441 7.6441 7.9558 7.9558 8.4136 8.4136 9.1811 9.1811 9.3013 9.3013 9.3309 9.3309 9.4454 9.4454 9.5354 9.5354 10.0993 10.0993 11.0928 11.0928 k = 0.5000 0.2887 0.2035 ( 6936 PWs) bands (ev): -68.8042 -68.8042 -68.7992 -68.7992 -38.6040 -38.6040 -38.5844 -38.5844 -37.4633 -37.4633 -37.4327 -37.4327 -37.3047 -37.3047 -37.2986 -37.2986 0.3472 0.3472 0.6513 0.6513 4.4732 4.4732 5.3895 5.3895 7.2176 7.2176 7.3336 7.3336 7.6543 7.6543 7.9467 7.9467 8.3626 8.3626 9.1718 9.1718 9.2941 9.2941 9.3569 9.3569 9.4485 9.4485 9.5503 9.5503 10.0496 10.0496 11.0266 11.0266 k = 0.5000 0.2887 0.1908 ( 6948 PWs) bands (ev): -68.8049 -68.8049 -68.8002 -68.8002 -38.6047 -38.6047 -38.5838 -38.5838 -37.4643 -37.4643 -37.4316 -37.4316 -37.3049 -37.3049 -37.2984 -37.2984 0.3325 0.3325 0.6553 0.6553 4.4803 4.4803 5.4721 5.4721 7.2044 7.2044 7.3058 7.3058 7.6643 7.6643 7.9310 7.9310 8.3114 8.3114 9.1606 9.1606 9.2862 9.2862 9.3724 9.3724 9.4493 9.4493 9.5589 9.5589 10.0004 10.0004 10.9626 10.9626 k = 0.5000 0.2887 0.1781 ( 6946 PWs) bands (ev): -68.8054 -68.8054 -68.7995 -68.7995 -38.6053 -38.6053 -38.5832 -38.5832 -37.4653 -37.4653 -37.4306 -37.4306 -37.3052 -37.3052 -37.2982 -37.2982 0.3183 0.3183 0.6586 0.6586 4.4899 4.4899 5.5572 5.5572 7.1962 7.1962 7.2781 7.2781 7.6739 7.6739 7.9119 7.9119 8.2624 8.2624 9.1507 9.1507 9.2798 9.2798 9.3925 9.3925 9.4506 9.4506 9.5730 9.5730 9.9547 9.9547 10.9027 10.9027 k = 0.5000 0.2887 0.1654 ( 6936 PWs) bands (ev): -68.8050 -68.8050 -68.7985 -68.7985 -38.6060 -38.6060 -38.5826 -38.5826 -37.4662 -37.4662 -37.4296 -37.4296 -37.3053 -37.3053 -37.2980 -37.2980 0.3048 0.3048 0.6613 0.6613 4.5016 4.5016 5.6448 5.6448 7.1863 7.1863 7.2517 7.2517 7.6829 7.6829 7.8891 7.8891 8.2154 8.2154 9.1421 9.1421 9.2769 9.2769 9.4138 9.4138 9.4507 9.4507 9.5875 9.5875 9.9179 9.9179 10.8501 10.8501 k = 0.5000 0.2887 0.1526 ( 6944 PWs) bands (ev): -68.8054 -68.8054 -68.7991 -68.7991 -38.6066 -38.6066 -38.5820 -38.5820 -37.4670 -37.4670 -37.4287 -37.4287 -37.3055 -37.3055 -37.2979 -37.2979 0.2920 0.2920 0.6634 0.6634 4.5145 4.5145 5.7338 5.7338 7.1764 7.1764 7.2256 7.2256 7.6882 7.6882 7.8616 7.8616 8.1665 8.1665 9.1298 9.1298 9.2664 9.2664 9.4299 9.4299 9.4496 9.4496 9.5956 9.5956 9.8837 9.8837 10.7958 10.7958 k = 0.5000 0.2887 0.1399 ( 6944 PWs) bands (ev): -68.8049 -68.8049 -68.7996 -68.7996 -38.6071 -38.6071 -38.5815 -38.5815 -37.4679 -37.4679 -37.4278 -37.4278 -37.3057 -37.3057 -37.2977 -37.2977 0.2801 0.2801 0.6649 0.6649 4.5286 4.5286 5.8249 5.8249 7.1675 7.1675 7.2007 7.2007 7.6874 7.6874 7.8345 7.8345 8.1196 8.1196 9.1230 9.1230 9.2620 9.2620 9.4388 9.4388 9.4490 9.4490 9.6053 9.6053 9.8609 9.8609 10.7449 10.7449 k = 0.5000 0.2887 0.1272 ( 6944 PWs) bands (ev): -68.8051 -68.8051 -68.7994 -68.7994 -38.6076 -38.6076 -38.5811 -38.5811 -37.4686 -37.4686 -37.4270 -37.4270 -37.3058 -37.3058 -37.2976 -37.2976 0.2689 0.2689 0.6660 0.6660 4.5438 4.5438 5.9176 5.9176 7.1593 7.1593 7.1774 7.1774 7.6743 7.6743 7.8131 7.8131 8.0763 8.0763 9.1152 9.1152 9.2570 9.2570 9.4393 9.4393 9.4553 9.4553 9.6149 9.6149 9.8343 9.8343 10.7012 10.7012 k = 0.5000 0.2887 0.1145 ( 6948 PWs) bands (ev): -68.8063 -68.8063 -68.7987 -68.7987 -38.6081 -38.6081 -38.5807 -38.5807 -37.4693 -37.4693 -37.4263 -37.4263 -37.3060 -37.3060 -37.2974 -37.2974 0.2587 0.2587 0.6668 0.6668 4.5593 4.5593 6.0115 6.0115 7.1518 7.1518 7.1558 7.1558 7.6447 7.6447 7.8011 7.8011 8.0340 8.0340 9.1057 9.1057 9.2508 9.2508 9.4389 9.4389 9.4619 9.4619 9.6234 9.6234 9.8060 9.8060 10.6624 10.6624 k = 0.5000 0.2887 0.1018 ( 6952 PWs) bands (ev): -68.8064 -68.8064 -68.7992 -68.7992 -38.6085 -38.6085 -38.5803 -38.5803 -37.4699 -37.4699 -37.4257 -37.4257 -37.3061 -37.3061 -37.2973 -37.2973 0.2494 0.2494 0.6673 0.6673 4.5747 4.5747 6.1060 6.1060 7.1344 7.1344 7.1464 7.1464 7.6001 7.6001 7.7982 7.7982 7.9957 7.9957 9.0991 9.0991 9.2467 9.2467 9.4311 9.4311 9.4676 9.4676 9.6305 9.6305 9.7870 9.7870 10.6258 10.6258 k = 0.5000 0.2887 0.0890 ( 6952 PWs) bands (ev): -68.8065 -68.8065 -68.7991 -68.7991 -38.6089 -38.6089 -38.5799 -38.5799 -37.4704 -37.4704 -37.4251 -37.4251 -37.3062 -37.3062 -37.2972 -37.2972 0.2411 0.2411 0.6676 0.6676 4.5897 4.5897 6.2009 6.2009 7.1155 7.1155 7.1413 7.1413 7.5458 7.5458 7.8002 7.8002 7.9610 7.9610 9.0934 9.0934 9.2433 9.2433 9.4219 9.4219 9.4740 9.4740 9.6378 9.6378 9.7714 9.7714 10.5950 10.5950 k = 0.5000 0.2887 0.0763 ( 6950 PWs) bands (ev): -68.8063 -68.8063 -68.7990 -68.7990 -38.6093 -38.6093 -38.5796 -38.5796 -37.4709 -37.4709 -37.4246 -37.4246 -37.3063 -37.3063 -37.2971 -37.2971 0.2338 0.2338 0.6677 0.6677 4.6036 4.6036 6.2954 6.2954 7.0978 7.0978 7.1371 7.1371 7.4846 7.4846 7.8043 7.8043 7.9305 7.9305 9.0897 9.0897 9.2403 9.2403 9.4149 9.4149 9.4791 9.4791 9.6442 9.6442 9.7610 9.7610 10.5676 10.5676 k = 0.5000 0.2887 0.0636 ( 6956 PWs) bands (ev): -68.8066 -68.8066 -68.7995 -68.7995 -38.6095 -38.6095 -38.5794 -38.5794 -37.4713 -37.4713 -37.4241 -37.4241 -37.3064 -37.3064 -37.2970 -37.2970 0.2276 0.2276 0.6676 0.6676 4.6158 4.6158 6.3885 6.3885 7.0808 7.0808 7.1332 7.1332 7.4190 7.4190 7.8086 7.8086 7.9028 7.9028 9.0845 9.0845 9.2304 9.2304 9.4076 9.4076 9.4846 9.4846 9.6506 9.6506 9.7518 9.7518 10.5412 10.5412 k = 0.5000 0.2887 0.0509 ( 6954 PWs) bands (ev): -68.8061 -68.8061 -68.7997 -68.7997 -38.6098 -38.6098 -38.5792 -38.5792 -37.4716 -37.4716 -37.4238 -37.4238 -37.3065 -37.3065 -37.2970 -37.2970 0.2225 0.2225 0.6675 0.6675 4.6268 4.6268 6.4792 6.4792 7.0638 7.0638 7.1302 7.1302 7.3523 7.3523 7.8121 7.8121 7.8791 7.8791 9.0808 9.0808 9.2324 9.2324 9.4020 9.4020 9.4888 9.4888 9.6552 9.6552 9.7484 9.7484 10.5227 10.5227 k = 0.5000 0.2887 0.0382 ( 6952 PWs) bands (ev): -68.8064 -68.8064 -68.7991 -68.7991 -38.6100 -38.6100 -38.5790 -38.5790 -37.4719 -37.4719 -37.4235 -37.4235 -37.3065 -37.3065 -37.2969 -37.2969 0.2185 0.2185 0.6674 0.6674 4.6358 4.6358 6.5652 6.5652 7.0463 7.0463 7.1313 7.1313 7.2886 7.2886 7.8153 7.8153 7.8623 7.8623 9.0792 9.0792 9.2311 9.2311 9.3992 9.3992 9.4871 9.4871 9.6561 9.6561 9.7430 9.7430 10.5092 10.5092 k = 0.5000 0.2887 0.0254 ( 6952 PWs) bands (ev): -68.8064 -68.8064 -68.7990 -68.7990 -38.6101 -38.6101 -38.5789 -38.5789 -37.4721 -37.4721 -37.4233 -37.4233 -37.3066 -37.3066 -37.2968 -37.2968 0.2156 0.2156 0.6673 0.6673 4.6423 4.6423 6.6422 6.6422 7.0255 7.0255 7.1322 7.1322 7.2316 7.2316 7.8167 7.8167 7.8503 7.8503 9.0791 9.0791 9.2258 9.2258 9.3982 9.3982 9.4883 9.4883 9.6588 9.6588 9.7436 9.7436 10.4992 10.4992 k = 0.5000 0.2887 0.0127 ( 6944 PWs) bands (ev): -68.8053 -68.8053 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2139 0.2139 0.6673 0.6673 4.6463 4.6463 6.7009 6.7009 7.0045 7.0045 7.1387 7.1387 7.1892 7.1892 7.8172 7.8172 7.8437 7.8437 9.0791 9.0791 9.2273 9.2273 9.3971 9.3971 9.4926 9.4926 9.6629 9.6629 9.7478 9.7478 10.4929 10.4929 k = 0.5000 0.2887-0.0000 ( 6948 PWs) bands (ev): -68.8059 -68.8059 -68.7990 -68.7990 -38.6102 -38.6102 -38.5788 -38.5788 -37.4722 -37.4722 -37.4231 -37.4231 -37.3066 -37.3066 -37.2968 -37.2968 0.2133 0.2133 0.6672 0.6672 4.6474 4.6474 6.7245 6.7245 6.9948 6.9948 7.1457 7.1457 7.1688 7.1688 7.8169 7.8169 7.8417 7.8417 9.0780 9.0780 9.2243 9.2243 9.3958 9.3958 9.4897 9.4897 9.6614 9.6614 9.7457 9.7457 10.4893 10.4893 k = 0.3333 0.5774-0.0000 ( 6969 PWs) bands (ev): -68.8058 -68.8058 -68.8024 -68.8024 -38.6103 -38.6103 -38.5789 -38.5789 -37.4723 -37.4723 -37.4232 -37.4232 -37.3068 -37.3068 -37.2971 -37.2971 0.6351 0.6351 0.6380 0.6380 4.5253 4.5253 6.0096 6.0096 6.2250 6.2250 7.2608 7.2608 7.2939 7.2939 7.8960 7.8960 8.4369 8.4369 9.2461 9.2461 9.3358 9.3358 9.3923 9.3923 9.6282 9.6282 9.6654 9.6654 10.3179 10.3179 10.3742 10.3742 k = 0.3333 0.5774 0.0127 ( 6969 PWs) bands (ev): -68.8067 -68.8067 -68.8016 -68.8016 -38.6102 -38.6102 -38.5789 -38.5789 -37.4723 -37.4723 -37.4233 -37.4233 -37.3068 -37.3068 -37.2971 -37.2971 0.6354 0.6354 0.6382 0.6382 4.5269 4.5269 6.0066 6.0066 6.2215 6.2215 7.2637 7.2637 7.2965 7.2965 7.8904 7.8904 8.4358 8.4358 9.2451 9.2451 9.3346 9.3346 9.4025 9.4025 9.6234 9.6234 9.6605 9.6605 10.3144 10.3144 10.3706 10.3706 k = 0.3333 0.5774 0.0254 ( 6975 PWs) bands (ev): -68.8066 -68.8066 -68.8024 -68.8024 -38.6102 -38.6102 -38.5790 -38.5790 -37.4722 -37.4722 -37.4234 -37.4234 -37.3068 -37.3068 -37.2971 -37.2971 0.6360 0.6360 0.6389 0.6389 4.5316 4.5316 5.9958 5.9958 6.2087 6.2087 7.2724 7.2724 7.3043 7.3043 7.8737 7.8737 8.4440 8.4440 9.2432 9.2432 9.3320 9.3320 9.4029 9.4029 9.6215 9.6215 9.6579 9.6579 10.3030 10.3030 10.3591 10.3591 k = 0.3333 0.5774 0.0382 ( 6975 PWs) bands (ev): -68.8066 -68.8066 -68.8025 -68.8025 -38.6101 -38.6101 -38.5791 -38.5791 -37.4720 -37.4720 -37.4236 -37.4236 -37.3067 -37.3067 -37.2971 -37.2971 0.6371 0.6371 0.6400 0.6400 4.5396 4.5396 5.9800 5.9800 6.1903 6.1903 7.2864 7.2864 7.3172 7.3172 7.8466 7.8466 8.4480 8.4480 9.2423 9.2423 9.3297 9.3297 9.4050 9.4050 9.6219 9.6219 9.6572 9.6572 10.2876 10.2876 10.3436 10.3436 k = 0.3333 0.5774 0.0509 ( 6975 PWs) bands (ev): -68.8066 -68.8066 -68.8025 -68.8025 -38.6099 -38.6099 -38.5793 -38.5793 -37.4717 -37.4717 -37.4239 -37.4239 -37.3067 -37.3067 -37.2972 -37.2972 0.6386 0.6386 0.6416 0.6416 4.5509 4.5509 5.9588 5.9588 6.1657 6.1657 7.3045 7.3045 7.3347 7.3347 7.8101 7.8101 8.4536 8.4536 9.2409 9.2409 9.3264 9.3264 9.4074 9.4074 9.6227 9.6227 9.6563 9.6563 10.2683 10.2683 10.3242 10.3242 k = 0.3333 0.5774 0.0636 ( 6963 PWs) bands (ev): -68.8065 -68.8065 -68.8009 -68.8009 -38.6096 -38.6096 -38.5795 -38.5795 -37.4714 -37.4714 -37.4242 -37.4242 -37.3066 -37.3066 -37.2972 -37.2972 0.6406 0.6406 0.6436 0.6436 4.5652 4.5652 5.9336 5.9336 6.1367 6.1367 7.3266 7.3266 7.3575 7.3575 7.7657 7.7657 8.4609 8.4609 9.2392 9.2392 9.3222 9.3222 9.4114 9.4114 9.6242 9.6242 9.6557 9.6557 10.2533 10.2533 10.3092 10.3092 k = 0.3333 0.5774 0.0763 ( 6972 PWs) bands (ev): -68.8081 -68.8081 -68.8005 -68.8005 -38.6093 -38.6093 -38.5798 -38.5798 -37.4710 -37.4710 -37.4247 -37.4247 -37.3066 -37.3066 -37.2973 -37.2973 0.6428 0.6428 0.6460 0.6460 4.5823 4.5823 5.9035 5.9035 6.1027 6.1027 7.3479 7.3479 7.3818 7.3818 7.7153 7.7153 8.4663 8.4663 9.2292 9.2292 9.3094 9.3094 9.4180 9.4180 9.6233 9.6233 9.6523 9.6523 10.2297 10.2297 10.2856 10.2856 k = 0.3333 0.5774 0.0890 ( 6957 PWs) bands (ev): -68.8059 -68.8059 -68.8006 -68.8006 -38.6090 -38.6090 -38.5800 -38.5800 -37.4705 -37.4705 -37.4251 -37.4251 -37.3065 -37.3065 -37.2974 -37.2974 0.6455 0.6455 0.6488 0.6488 4.6030 4.6030 5.8701 5.8701 6.0653 6.0653 7.3669 7.3669 7.4089 7.4089 7.6627 7.6627 8.4882 8.4882 9.2280 9.2280 9.3052 9.3052 9.4183 9.4183 9.6332 9.6332 9.6596 9.6596 10.2055 10.2055 10.2615 10.2615 k = 0.3333 0.5774 0.1018 ( 6951 PWs) bands (ev): -68.8058 -68.8058 -68.7998 -68.7998 -38.6086 -38.6086 -38.5803 -38.5803 -37.4699 -37.4699 -37.4257 -37.4257 -37.3063 -37.3063 -37.2975 -37.2975 0.6485 0.6485 0.6519 0.6519 4.6269 4.6269 5.8347 5.8347 6.0260 6.0260 7.3772 7.3772 7.4390 7.4390 7.6151 7.6151 8.5003 8.5003 9.2251 9.2251 9.2985 9.2985 9.4171 9.4171 9.6359 9.6359 9.6590 9.6590 10.1818 10.1818 10.2379 10.2379 k = 0.3333 0.5774 0.1145 ( 6945 PWs) bands (ev): -68.8057 -68.8057 -68.7990 -68.7990 -38.6082 -38.6082 -38.5807 -38.5807 -37.4693 -37.4693 -37.4263 -37.4263 -37.3062 -37.3062 -37.2976 -37.2976 0.6519 0.6519 0.6554 0.6554 4.6539 4.6539 5.7973 5.7973 5.9851 5.9851 7.3655 7.3655 7.4697 7.4697 7.5845 7.5845 8.5140 8.5140 9.2216 9.2216 9.2908 9.2908 9.4184 9.4184 9.6393 9.6393 9.6587 9.6587 10.1581 10.1581 10.2142 10.2142 k = 0.3333 0.5774 0.1272 ( 6948 PWs) bands (ev): -68.8047 -68.8047 -68.8003 -68.8003 -38.6077 -38.6077 -38.5811 -38.5811 -37.4687 -37.4687 -37.4271 -37.4271 -37.3060 -37.3060 -37.2978 -37.2978 0.6554 0.6554 0.6591 0.6591 4.6842 4.6842 5.7578 5.7578 5.9422 5.9422 7.3235 7.3235 7.4990 7.4990 7.5777 7.5777 8.5317 8.5317 9.2203 9.2203 9.2845 9.2845 9.4080 9.4080 9.6449 9.6449 9.6599 9.6599 10.1325 10.1325 10.1888 10.1888 k = 0.3333 0.5774 0.1399 ( 6942 PWs) bands (ev): -68.8046 -68.8046 -68.7996 -68.7996 -38.6072 -38.6072 -38.5816 -38.5816 -37.4679 -37.4679 -37.4279 -37.4279 -37.3059 -37.3059 -37.2979 -37.2979 0.6592 0.6592 0.6630 0.6630 4.7173 4.7173 5.7182 5.7182 5.8996 5.8996 7.2594 7.2594 7.5300 7.5300 7.5909 7.5909 8.5486 8.5486 9.2151 9.2151 9.2746 9.2746 9.4113 9.4113 9.6501 9.6501 9.6610 9.6610 10.1098 10.1098 10.1662 10.1662 k = 0.3333 0.5774 0.1526 ( 6918 PWs) bands (ev): -68.8044 -68.8044 -68.7964 -68.7964 -38.6066 -38.6066 -38.5821 -38.5821 -37.4670 -37.4670 -37.4287 -37.4287 -37.3057 -37.3057 -37.2980 -37.2980 0.6632 0.6632 0.6672 0.6672 4.7534 4.7534 5.6799 5.6799 5.8587 5.8587 7.1830 7.1830 7.5661 7.5661 7.6186 7.6186 8.5669 8.5669 9.2112 9.2112 9.2658 9.2658 9.4041 9.4041 9.6565 9.6565 9.6633 9.6633 10.0941 10.0941 10.1506 10.1506 k = 0.3333 0.5774 0.1654 ( 6909 PWs) bands (ev): -68.8029 -68.8029 -68.7965 -68.7965 -38.6060 -38.6060 -38.5826 -38.5826 -37.4661 -37.4661 -37.4296 -37.4296 -37.3055 -37.3055 -37.2982 -37.2982 0.6673 0.6673 0.6714 0.6714 4.7927 4.7927 5.6404 5.6404 5.8168 5.8168 7.0992 7.0992 7.5970 7.5970 7.6456 7.6456 8.5878 8.5878 9.2094 9.2094 9.2593 9.2593 9.3920 9.3920 9.6669 9.6669 9.6696 9.6696 10.0727 10.0727 10.1292 10.1292 k = 0.3333 0.5774 0.1781 ( 6903 PWs) bands (ev): -68.8019 -68.8019 -68.7967 -68.7967 -38.6053 -38.6053 -38.5832 -38.5832 -37.4652 -37.4652 -37.4306 -37.4306 -37.3053 -37.3053 -37.2984 -37.2984 0.6714 0.6714 0.6757 0.6757 4.8348 4.8348 5.6019 5.6019 5.7762 5.7762 7.0114 7.0114 7.6275 7.6275 7.6742 7.6742 8.6091 8.6091 9.2071 9.2071 9.2524 9.2524 9.3732 9.3732 9.6738 9.6738 9.6751 9.6751 10.0533 10.0533 10.1098 10.1098 k = 0.3333 0.5774 0.1908 ( 6927 PWs) bands (ev): -68.8034 -68.8034 -68.7986 -68.7986 -38.6047 -38.6047 -38.5838 -38.5838 -37.4643 -37.4643 -37.4316 -37.4316 -37.3051 -37.3051 -37.2986 -37.2986 0.6755 0.6755 0.6799 0.6799 4.8795 4.8795 5.5637 5.5637 5.7363 5.7363 6.9209 6.9209 7.6536 7.6536 7.6993 7.6993 8.6260 8.6260 9.1971 9.1971 9.2370 9.2370 9.3497 9.3497 9.6696 9.6696 9.6755 9.6755 10.0315 10.0315 10.0882 10.0882 k = 0.3333 0.5774 0.2035 ( 6927 PWs) bands (ev): -68.8032 -68.8032 -68.7988 -68.7988 -38.6040 -38.6040 -38.5845 -38.5845 -37.4633 -37.4633 -37.4327 -37.4327 -37.3049 -37.3049 -37.2988 -37.2988 0.6796 0.6796 0.6842 0.6842 4.9271 4.9271 5.5277 5.5277 5.6990 5.6990 6.8290 6.8290 7.6807 7.6807 7.7263 7.7263 8.6496 8.6496 9.1895 9.1895 9.2245 9.2245 9.3310 9.3310 9.6746 9.6746 9.6846 9.6846 10.0123 10.0123 10.0689 10.0689 k = 0.3333 0.5774 0.2162 ( 6936 PWs) bands (ev): -68.8033 -68.8033 -68.7998 -68.7998 -38.6033 -38.6033 -38.5852 -38.5852 -37.4623 -37.4623 -37.4338 -37.4338 -37.3047 -37.3047 -37.2990 -37.2990 0.6836 0.6836 0.6883 0.6883 4.9773 4.9773 5.4934 5.4934 5.6637 5.6637 6.7362 6.7362 7.7054 7.7054 7.7512 7.7512 8.6813 8.6813 9.1782 9.1782 9.2082 9.2082 9.3083 9.3083 9.6779 9.6779 9.6920 9.6920 9.9892 9.9892 10.0457 10.0457 k = 0.3333 0.5774 0.2290 ( 6936 PWs) bands (ev): -68.8031 -68.8031 -68.8000 -68.8000 -38.6026 -38.6026 -38.5859 -38.5859 -37.4612 -37.4612 -37.4350 -37.4350 -37.3045 -37.3045 -37.2993 -37.2993 0.6874 0.6874 0.6924 0.6924 5.0301 5.0301 5.4614 5.4614 5.6312 5.6312 6.6432 6.6432 7.7294 7.7294 7.7756 7.7756 8.7071 8.7071 9.1703 9.1703 9.1957 9.1957 9.2863 9.2863 9.6845 9.6845 9.7023 9.7023 9.9714 9.9714 10.0278 10.0278 k = 0.3333 0.5774 0.2417 ( 6933 PWs) bands (ev): -68.8025 -68.8025 -68.8002 -68.8002 -38.6018 -38.6018 -38.5866 -38.5866 -37.4600 -37.4600 -37.4362 -37.4362 -37.3042 -37.3042 -37.2995 -37.2995 0.6911 0.6911 0.6962 0.6962 5.0852 5.0852 5.4318 5.4318 5.6017 5.6017 6.5505 6.5505 7.7523 7.7523 7.7990 7.7990 8.7356 8.7356 9.1631 9.1631 9.1834 9.1834 9.2558 9.2558 9.6936 9.6936 9.7147 9.7147 9.9572 9.9572 10.0134 10.0134 k = 0.3333 0.5774 0.2544 ( 6927 PWs) bands (ev): -68.8022 -68.8022 -68.7996 -68.7996 -38.6010 -38.6010 -38.5873 -38.5873 -37.4588 -37.4588 -37.4375 -37.4375 -37.3040 -37.3040 -37.2997 -37.2997 0.6946 0.6946 0.6998 0.6998 5.1422 5.1422 5.4049 5.4049 5.5756 5.5756 6.4583 6.4583 7.7738 7.7738 7.8212 7.8212 8.7634 8.7634 9.1566 9.1566 9.1722 9.1722 9.2364 9.2364 9.7016 9.7016 9.7257 9.7257 9.9411 9.9411 9.9970 9.9970 k = 0.3333 0.5774 0.2671 ( 6924 PWs) bands (ev): -68.8024 -68.8024 -68.7990 -68.7990 -38.6001 -38.6001 -38.5881 -38.5881 -37.4575 -37.4575 -37.4388 -37.4388 -37.3038 -37.3038 -37.3000 -37.3000 0.6978 0.6978 0.7031 0.7031 5.2006 5.2006 5.3805 5.3805 5.5533 5.5533 6.3671 6.3671 7.7920 7.7920 7.8399 7.8399 8.7894 8.7894 9.1495 9.1495 9.1609 9.1609 9.2222 9.2222 9.7087 9.7087 9.7357 9.7357 9.9254 9.9254 9.9811 9.9811 k = 0.3333 0.5774 0.2798 ( 6915 PWs) bands (ev): -68.8009 -68.8009 -68.7992 -68.7992 -38.5993 -38.5993 -38.5889 -38.5889 -37.4563 -37.4563 -37.4400 -37.4400 -37.3035 -37.3035 -37.3002 -37.3002 0.7007 0.7007 0.7061 0.7061 5.2593 5.2593 5.3592 5.3592 5.5362 5.5362 6.2773 6.2773 7.8090 7.8090 7.8575 7.8575 8.8189 8.8189 9.1463 9.1463 9.1505 9.1505 9.1989 9.1989 9.7220 9.7220 9.7512 9.7512 9.9107 9.9107 9.9661 9.9661 k = 0.3333 0.5774 0.2926 ( 6921 PWs) bands (ev): -68.8006 -68.8006 -68.8003 -68.8003 -38.5984 -38.5984 -38.5897 -38.5897 -37.4550 -37.4550 -37.4414 -37.4414 -37.3032 -37.3032 -37.3005 -37.3005 0.7031 0.7031 0.7087 0.7087 5.3156 5.3156 5.3407 5.3407 5.5262 5.5262 6.1893 6.1893 7.8215 7.8215 7.8704 7.8704 8.8489 8.8489 9.1327 9.1327 9.1392 9.1392 9.1776 9.1776 9.7306 9.7306 9.7620 9.7620 9.8952 9.8952 9.9503 9.9503 k = 0.3333 0.5774 0.3053 ( 6915 PWs) bands (ev): -68.8004 -68.8004 -68.7997 -68.7997 -38.5976 -38.5976 -38.5906 -38.5906 -37.4537 -37.4537 -37.4427 -37.4427 -37.3029 -37.3029 -37.3008 -37.3008 0.7052 0.7052 0.7109 0.7109 5.3257 5.3257 5.3643 5.3643 5.5290 5.5290 6.1039 6.1039 7.8336 7.8336 7.8831 7.8831 8.8794 8.8794 9.1114 9.1114 9.1349 9.1349 9.1632 9.1632 9.7399 9.7399 9.7730 9.7730 9.8864 9.8864 9.9410 9.9410 k = 0.3333 0.5774 0.3180 ( 6915 PWs) bands (ev): -68.8013 -68.8013 -68.7986 -68.7986 -38.5967 -38.5967 -38.5914 -38.5914 -37.4523 -37.4523 -37.4441 -37.4441 -37.3027 -37.3027 -37.3010 -37.3010 0.7069 0.7069 0.7126 0.7126 5.3140 5.3140 5.3968 5.3968 5.5517 5.5517 6.0220 6.0220 7.8412 7.8412 7.8912 7.8912 8.9110 8.9110 9.0907 9.0907 9.1263 9.1263 9.1511 9.1511 9.7491 9.7491 9.7834 9.7834 9.8769 9.8769 9.9312 9.9312 k = 0.3333 0.5774 0.3307 ( 6933 PWs) bands (ev): -68.8028 -68.8028 -68.7997 -68.7997 -38.5958 -38.5958 -38.5923 -38.5923 -37.4509 -37.4509 -37.4455 -37.4455 -37.3025 -37.3025 -37.3013 -37.3013 0.7080 0.7080 0.7138 0.7138 5.3051 5.3051 5.4111 5.4111 5.5937 5.5937 5.9459 5.9459 7.8455 7.8455 7.8955 7.8955 8.9355 8.9355 9.0626 9.0626 9.1207 9.1207 9.1413 9.1413 9.7498 9.7498 9.7857 9.7857 9.8645 9.8645 9.9187 9.9187 k = 0.3333 0.5774 0.3434 ( 6930 PWs) bands (ev): -68.8013 -68.8013 -68.8008 -68.8008 -38.5949 -38.5949 -38.5932 -38.5932 -37.4496 -37.4496 -37.4469 -37.4469 -37.3022 -37.3022 -37.3016 -37.3016 0.7088 0.7088 0.7146 0.7146 5.3000 5.3000 5.4158 5.4158 5.6407 5.6407 5.8827 5.8827 7.8490 7.8490 7.8991 7.8991 8.9690 8.9690 9.0306 9.0306 9.1190 9.1190 9.1375 9.1375 9.7583 9.7583 9.7944 9.7944 9.8589 9.8589 9.9132 9.9132 k = 0.3333 0.5774 0.3562 ( 6930 PWs) bands (ev): -68.8010 -68.8010 -68.8010 -68.8010 -38.5941 -38.5941 -38.5940 -38.5940 -37.4483 -37.4483 -37.4482 -37.4482 -37.3020 -37.3020 -37.3018 -37.3018 0.7090 0.7090 0.7148 0.7148 5.2983 5.2983 5.4168 5.4168 5.6647 5.6647 5.8539 5.8539 7.8503 7.8503 7.9005 7.9005 8.9965 8.9965 9.0036 9.0036 9.1184 9.1184 9.1363 9.1363 9.7600 9.7600 9.7963 9.7963 9.8568 9.8568 9.9110 9.9110 Writing output data file MnSb.save init_run : 0.15s CPU 0.26s WALL ( 1 calls) electrons : 153.30s CPU 155.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 153.29s CPU 155.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 337 calls) cegterg : 138.60s CPU 140.31s WALL ( 377 calls) Called by sum_band: Called by *egterg: h_psi : 87.98s CPU 89.33s WALL ( 5874 calls) s_psi : 3.55s CPU 3.88s WALL ( 5874 calls) g_psi : 0.32s CPU 0.34s WALL ( 5160 calls) cdiaghg : 37.96s CPU 37.90s WALL ( 5497 calls) cegterg:over : 6.92s CPU 7.09s WALL ( 5160 calls) cegterg:upda : 6.55s CPU 6.61s WALL ( 5160 calls) cegterg:last : 3.33s CPU 3.48s WALL ( 1073 calls) cdiaghg:chol : 2.13s CPU 2.18s WALL ( 5497 calls) cdiaghg:inve : 1.40s CPU 1.42s WALL ( 5497 calls) cdiaghg:para : 2.18s CPU 2.22s WALL ( 10994 calls) Called by h_psi: h_psi:vloc : 75.48s CPU 77.32s WALL ( 5874 calls) h_psi:vnl : 12.15s CPU 11.68s WALL ( 5874 calls) add_vuspsi : 6.43s CPU 6.00s WALL ( 5874 calls) General routines calbec : 5.70s CPU 5.65s WALL ( 5874 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 71.60s CPU 73.43s WALL ( 686884 calls) davcio : 0.27s CPU 0.30s WALL ( 674 calls) Parallel routines fft_scatter : 24.18s CPU 24.91s WALL ( 686899 calls) PWSCF : 2m53.58s CPU 3m13.43s WALL This run was terminated on: 20:52:49 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=