Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:36:51 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: ./SrLiP.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 54 15 3488 3488 508 Max 55 55 18 3496 3496 517 Sum 1945 1945 547 125713 125713 18381 bravais-lattice index = 14 lattice parameter (alat) = 8.2532 a.u. unit-cell volume = 889.5838 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 412.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.253189 celldm(2)= 1.000000 celldm(3)= 1.827220 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 1.827220 ) 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 0.547280 ) PseudoPot. # 1 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 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 1147 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 Li 3.00 6.94100 Li( 1.00) Sr 10.00 87.62000 Sr( 1.00) P 5.00 30.97380 P( 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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 ) ( 0.9136099 ) 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= 297 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 0.0068732 -0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 0.0137464 -0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 0.0206197 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 0.0274929 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 0.0343661 -0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 0.0412393 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 0.0549857 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 0.0618590 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 0.0687322 -0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 0.0756054 -0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 0.0824786 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 0.0893518 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 0.1030983 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 0.1099715 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 0.1168447 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 0.1237179 -0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 0.1305911 -0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 0.1374644 -0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 0.1512108 -0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 0.1580840 -0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 0.1649572 -0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 0.1718304 -0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 0.1787037 -0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 0.1855769 -0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 0.1993233 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 0.2061965 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 0.2130697 -0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 0.2199430 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 0.2268162 -0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 0.2336894 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 0.2474358 -0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 0.2543090 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 0.2611823 -0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 0.2680555 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.2749287 -0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 0.2818019 -0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.5653221 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.5532940 -0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.5412659 -0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.5292378 -0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.5172096 -0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.5051815 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.4931534 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.4811252 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.4690971 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.4570690 -0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.4450408 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.4330127 -0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.4209846 -0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.4089564 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.3969283 -0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.3728721 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.3608439 -0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.3488158 -0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.3367876 -0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.3247595 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.3127314 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.3007033 -0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.2766470 -0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.2646189 -0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.2525907 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.2405626 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.2285345 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.2165064 -0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.2044782 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1804220 -0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.1683938 -0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.1563657 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.1443376 -0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.1323094 -0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.1202813 -0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.1082532 -0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0962251 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0841969 -0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0721688 -0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0601406 -0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0481125 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0360844 -0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0240563 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0120281 -0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0136820), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0273640), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0410460), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.0547280), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.0684099), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.0820919), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.0957739), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.1094559), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.1231379), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.1368199), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.1505019), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.1641839), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.1778658), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.1915478), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.2052298), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.2189118), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.2325938), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.2462758), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.2599578), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.2736398), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.2736398), wk = 0.0033670 k( 140) = ( 0.0119048 0.0068732 0.2736398), wk = 0.0033670 k( 141) = ( 0.0238095 0.0137464 0.2736398), wk = 0.0033670 k( 142) = ( 0.0357143 0.0206197 0.2736398), wk = 0.0033670 k( 143) = ( 0.0476191 0.0274929 0.2736398), wk = 0.0033670 k( 144) = ( 0.0595238 0.0343661 0.2736398), wk = 0.0033670 k( 145) = ( 0.0714286 0.0412393 0.2736398), wk = 0.0033670 k( 146) = ( 0.0833333 0.0481125 0.2736398), wk = 0.0033670 k( 147) = ( 0.0952381 0.0549857 0.2736398), wk = 0.0033670 k( 148) = ( 0.1071429 0.0618590 0.2736398), wk = 0.0033670 k( 149) = ( 0.1190476 0.0687322 0.2736398), wk = 0.0033670 k( 150) = ( 0.1309524 0.0756054 0.2736398), wk = 0.0033670 k( 151) = ( 0.1428571 0.0824786 0.2736398), wk = 0.0033670 k( 152) = ( 0.1547619 0.0893518 0.2736398), wk = 0.0033670 k( 153) = ( 0.1666667 0.0962250 0.2736398), wk = 0.0033670 k( 154) = ( 0.1785714 0.1030983 0.2736398), wk = 0.0033670 k( 155) = ( 0.1904762 0.1099715 0.2736398), wk = 0.0033670 k( 156) = ( 0.2023810 0.1168447 0.2736398), wk = 0.0033670 k( 157) = ( 0.2142857 0.1237179 0.2736398), wk = 0.0033670 k( 158) = ( 0.2261905 0.1305911 0.2736398), wk = 0.0033670 k( 159) = ( 0.2380952 0.1374644 0.2736398), wk = 0.0033670 k( 160) = ( 0.2500000 0.1443376 0.2736398), wk = 0.0033670 k( 161) = ( 0.2619048 0.1512108 0.2736398), wk = 0.0033670 k( 162) = ( 0.2738095 0.1580840 0.2736398), wk = 0.0033670 k( 163) = ( 0.2857143 0.1649572 0.2736398), wk = 0.0033670 k( 164) = ( 0.2976190 0.1718304 0.2736398), wk = 0.0033670 k( 165) = ( 0.3095238 0.1787037 0.2736398), wk = 0.0033670 k( 166) = ( 0.3214286 0.1855769 0.2736398), wk = 0.0033670 k( 167) = ( 0.3333333 0.1924501 0.2736398), wk = 0.0033670 k( 168) = ( 0.3452381 0.1993233 0.2736398), wk = 0.0033670 k( 169) = ( 0.3571429 0.2061965 0.2736398), wk = 0.0033670 k( 170) = ( 0.3690476 0.2130697 0.2736398), wk = 0.0033670 k( 171) = ( 0.3809524 0.2199430 0.2736398), wk = 0.0033670 k( 172) = ( 0.3928571 0.2268162 0.2736398), wk = 0.0033670 k( 173) = ( 0.4047619 0.2336894 0.2736398), wk = 0.0033670 k( 174) = ( 0.4166667 0.2405626 0.2736398), wk = 0.0033670 k( 175) = ( 0.4285714 0.2474358 0.2736398), wk = 0.0033670 k( 176) = ( 0.4404762 0.2543090 0.2736398), wk = 0.0033670 k( 177) = ( 0.4523810 0.2611823 0.2736398), wk = 0.0033670 k( 178) = ( 0.4642857 0.2680555 0.2736398), wk = 0.0033670 k( 179) = ( 0.4761905 0.2749287 0.2736398), wk = 0.0033670 k( 180) = ( 0.4880952 0.2818019 0.2736398), wk = 0.0033670 k( 181) = ( 0.5000000 0.2886751 0.2736398), wk = 0.0033670 k( 182) = ( 0.5000000 0.2886751 0.2736398), wk = 0.0033670 k( 183) = ( 0.4930556 0.3007033 0.2736398), wk = 0.0033670 k( 184) = ( 0.4861111 0.3127314 0.2736398), wk = 0.0033670 k( 185) = ( 0.4791667 0.3247595 0.2736398), wk = 0.0033670 k( 186) = ( 0.4722222 0.3367877 0.2736398), wk = 0.0033670 k( 187) = ( 0.4652778 0.3488158 0.2736398), wk = 0.0033670 k( 188) = ( 0.4583333 0.3608439 0.2736398), wk = 0.0033670 k( 189) = ( 0.4513889 0.3728720 0.2736398), wk = 0.0033670 k( 190) = ( 0.4444444 0.3849002 0.2736398), wk = 0.0033670 k( 191) = ( 0.4375000 0.3969283 0.2736398), wk = 0.0033670 k( 192) = ( 0.4305556 0.4089564 0.2736398), wk = 0.0033670 k( 193) = ( 0.4236111 0.4209846 0.2736398), wk = 0.0033670 k( 194) = ( 0.4166667 0.4330127 0.2736398), wk = 0.0033670 k( 195) = ( 0.4097222 0.4450408 0.2736398), wk = 0.0033670 k( 196) = ( 0.4027778 0.4570690 0.2736398), wk = 0.0033670 k( 197) = ( 0.3958333 0.4690971 0.2736398), wk = 0.0033670 k( 198) = ( 0.3888889 0.4811252 0.2736398), wk = 0.0033670 k( 199) = ( 0.3819444 0.4931534 0.2736398), wk = 0.0033670 k( 200) = ( 0.3750000 0.5051815 0.2736398), wk = 0.0033670 k( 201) = ( 0.3680556 0.5172096 0.2736398), wk = 0.0033670 k( 202) = ( 0.3611111 0.5292377 0.2736398), wk = 0.0033670 k( 203) = ( 0.3541667 0.5412659 0.2736398), wk = 0.0033670 k( 204) = ( 0.3472222 0.5532940 0.2736398), wk = 0.0033670 k( 205) = ( 0.3402778 0.5653221 0.2736398), wk = 0.0033670 k( 206) = ( 0.3333333 0.5773503 0.2736398), wk = 0.0033670 k( 207) = ( 0.3333333 0.5773503 0.2736398), wk = 0.0033670 k( 208) = ( 0.3263889 0.5653221 0.2736398), wk = 0.0033670 k( 209) = ( 0.3194444 0.5532940 0.2736398), wk = 0.0033670 k( 210) = ( 0.3125000 0.5412659 0.2736398), wk = 0.0033670 k( 211) = ( 0.3055556 0.5292378 0.2736398), wk = 0.0033670 k( 212) = ( 0.2986111 0.5172096 0.2736398), wk = 0.0033670 k( 213) = ( 0.2916667 0.5051815 0.2736398), wk = 0.0033670 k( 214) = ( 0.2847222 0.4931534 0.2736398), wk = 0.0033670 k( 215) = ( 0.2777778 0.4811252 0.2736398), wk = 0.0033670 k( 216) = ( 0.2708333 0.4690971 0.2736398), wk = 0.0033670 k( 217) = ( 0.2638889 0.4570690 0.2736398), wk = 0.0033670 k( 218) = ( 0.2569444 0.4450408 0.2736398), wk = 0.0033670 k( 219) = ( 0.2500000 0.4330127 0.2736398), wk = 0.0033670 k( 220) = ( 0.2430556 0.4209846 0.2736398), wk = 0.0033670 k( 221) = ( 0.2361111 0.4089564 0.2736398), wk = 0.0033670 k( 222) = ( 0.2291667 0.3969283 0.2736398), wk = 0.0033670 k( 223) = ( 0.2222222 0.3849002 0.2736398), wk = 0.0033670 k( 224) = ( 0.2152778 0.3728721 0.2736398), wk = 0.0033670 k( 225) = ( 0.2083333 0.3608439 0.2736398), wk = 0.0033670 k( 226) = ( 0.2013889 0.3488158 0.2736398), wk = 0.0033670 k( 227) = ( 0.1944444 0.3367876 0.2736398), wk = 0.0033670 k( 228) = ( 0.1875000 0.3247595 0.2736398), wk = 0.0033670 k( 229) = ( 0.1805556 0.3127314 0.2736398), wk = 0.0033670 k( 230) = ( 0.1736111 0.3007033 0.2736398), wk = 0.0033670 k( 231) = ( 0.1666667 0.2886751 0.2736398), wk = 0.0033670 k( 232) = ( 0.1597222 0.2766470 0.2736398), wk = 0.0033670 k( 233) = ( 0.1527778 0.2646189 0.2736398), wk = 0.0033670 k( 234) = ( 0.1458333 0.2525907 0.2736398), wk = 0.0033670 k( 235) = ( 0.1388889 0.2405626 0.2736398), wk = 0.0033670 k( 236) = ( 0.1319444 0.2285345 0.2736398), wk = 0.0033670 k( 237) = ( 0.1250000 0.2165064 0.2736398), wk = 0.0033670 k( 238) = ( 0.1180556 0.2044782 0.2736398), wk = 0.0033670 k( 239) = ( 0.1111111 0.1924501 0.2736398), wk = 0.0033670 k( 240) = ( 0.1041667 0.1804220 0.2736398), wk = 0.0033670 k( 241) = ( 0.0972222 0.1683938 0.2736398), wk = 0.0033670 k( 242) = ( 0.0902778 0.1563657 0.2736398), wk = 0.0033670 k( 243) = ( 0.0833333 0.1443376 0.2736398), wk = 0.0033670 k( 244) = ( 0.0763889 0.1323094 0.2736398), wk = 0.0033670 k( 245) = ( 0.0694444 0.1202813 0.2736398), wk = 0.0033670 k( 246) = ( 0.0625000 0.1082532 0.2736398), wk = 0.0033670 k( 247) = ( 0.0555556 0.0962251 0.2736398), wk = 0.0033670 k( 248) = ( 0.0486111 0.0841969 0.2736398), wk = 0.0033670 k( 249) = ( 0.0416667 0.0721688 0.2736398), wk = 0.0033670 k( 250) = ( 0.0347222 0.0601406 0.2736398), wk = 0.0033670 k( 251) = ( 0.0277778 0.0481125 0.2736398), wk = 0.0033670 k( 252) = ( 0.0208333 0.0360844 0.2736398), wk = 0.0033670 k( 253) = ( 0.0138889 0.0240563 0.2736398), wk = 0.0033670 k( 254) = ( 0.0069444 0.0120281 0.2736398), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.2736398), wk = 0.0033670 k( 256) = ( 0.5000000 0.2886751 0.2736398), wk = 0.0033670 k( 257) = ( 0.5000000 0.2886751 0.2599578), wk = 0.0033670 k( 258) = ( 0.5000000 0.2886751 0.2462758), wk = 0.0033670 k( 259) = ( 0.5000000 0.2886751 0.2325938), wk = 0.0033670 k( 260) = ( 0.5000000 0.2886751 0.2189118), wk = 0.0033670 k( 261) = ( 0.5000000 0.2886751 0.2052298), wk = 0.0033670 k( 262) = ( 0.5000000 0.2886751 0.1915478), wk = 0.0033670 k( 263) = ( 0.5000000 0.2886751 0.1778658), wk = 0.0033670 k( 264) = ( 0.5000000 0.2886751 0.1641839), wk = 0.0033670 k( 265) = ( 0.5000000 0.2886751 0.1505019), wk = 0.0033670 k( 266) = ( 0.5000000 0.2886751 0.1368199), wk = 0.0033670 k( 267) = ( 0.5000000 0.2886751 0.1231379), wk = 0.0033670 k( 268) = ( 0.5000000 0.2886751 0.1094559), wk = 0.0033670 k( 269) = ( 0.5000000 0.2886751 0.0957739), wk = 0.0033670 k( 270) = ( 0.5000000 0.2886751 0.0820919), wk = 0.0033670 k( 271) = ( 0.5000000 0.2886751 0.0684099), wk = 0.0033670 k( 272) = ( 0.5000000 0.2886751 0.0547280), wk = 0.0033670 k( 273) = ( 0.5000000 0.2886751 0.0410460), wk = 0.0033670 k( 274) = ( 0.5000000 0.2886751 0.0273640), wk = 0.0033670 k( 275) = ( 0.5000000 0.2886751 0.0136820), wk = 0.0033670 k( 276) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.5773503 0.0136820), wk = 0.0033670 k( 279) = ( 0.3333333 0.5773503 0.0273640), wk = 0.0033670 k( 280) = ( 0.3333333 0.5773503 0.0410460), wk = 0.0033670 k( 281) = ( 0.3333333 0.5773503 0.0547280), wk = 0.0033670 k( 282) = ( 0.3333333 0.5773503 0.0684099), wk = 0.0033670 k( 283) = ( 0.3333333 0.5773503 0.0820919), wk = 0.0033670 k( 284) = ( 0.3333333 0.5773503 0.0957739), wk = 0.0033670 k( 285) = ( 0.3333333 0.5773503 0.1094559), wk = 0.0033670 k( 286) = ( 0.3333333 0.5773503 0.1231379), wk = 0.0033670 k( 287) = ( 0.3333333 0.5773503 0.1368199), wk = 0.0033670 k( 288) = ( 0.3333333 0.5773503 0.1505019), wk = 0.0033670 k( 289) = ( 0.3333333 0.5773503 0.1641839), wk = 0.0033670 k( 290) = ( 0.3333333 0.5773503 0.1778658), wk = 0.0033670 k( 291) = ( 0.3333333 0.5773503 0.1915478), wk = 0.0033670 k( 292) = ( 0.3333333 0.5773503 0.2052298), wk = 0.0033670 k( 293) = ( 0.3333333 0.5773503 0.2189118), wk = 0.0033670 k( 294) = ( 0.3333333 0.5773503 0.2325938), wk = 0.0033670 k( 295) = ( 0.3333333 0.5773503 0.2462758), wk = 0.0033670 k( 296) = ( 0.3333333 0.5773503 0.2599578), wk = 0.0033670 k( 297) = ( 0.3333333 0.5773503 0.2736398), wk = 0.0033670 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0033670 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0033670 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0033670 k( 5) = ( 0.0476191 0.0000000 -0.0000000), wk = 0.0033670 k( 6) = ( 0.0595238 0.0000000 0.0000000), wk = 0.0033670 k( 7) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0033670 k( 8) = ( 0.0833333 -0.0000000 -0.0000000), wk = 0.0033670 k( 9) = ( 0.0952381 0.0000000 -0.0000000), wk = 0.0033670 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0033670 k( 11) = ( 0.1190476 0.0000000 0.0000000), wk = 0.0033670 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0033670 k( 13) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0033670 k( 14) = ( 0.1547619 0.0000000 -0.0000000), wk = 0.0033670 k( 15) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0033670 k( 16) = ( 0.1785714 -0.0000000 -0.0000000), wk = 0.0033670 k( 17) = ( 0.1904762 0.0000000 -0.0000000), wk = 0.0033670 k( 18) = ( 0.2023810 0.0000000 -0.0000000), wk = 0.0033670 k( 19) = ( 0.2142857 -0.0000000 0.0000000), wk = 0.0033670 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0033670 k( 21) = ( 0.2380952 0.0000000 0.0000000), wk = 0.0033670 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033670 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0033670 k( 24) = ( 0.2738095 -0.0000000 0.0000000), wk = 0.0033670 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0033670 k( 26) = ( 0.2976190 0.0000000 0.0000000), wk = 0.0033670 k( 27) = ( 0.3095238 -0.0000000 0.0000000), wk = 0.0033670 k( 28) = ( 0.3214286 -0.0000000 0.0000000), wk = 0.0033670 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0033670 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0033670 k( 31) = ( 0.3571429 -0.0000000 -0.0000000), wk = 0.0033670 k( 32) = ( 0.3690476 -0.0000000 0.0000000), wk = 0.0033670 k( 33) = ( 0.3809524 0.0000000 -0.0000000), wk = 0.0033670 k( 34) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0033670 k( 35) = ( 0.4047619 0.0000000 -0.0000000), wk = 0.0033670 k( 36) = ( 0.4166667 0.0000000 -0.0000000), wk = 0.0033670 k( 37) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0033670 k( 38) = ( 0.4404762 -0.0000000 -0.0000000), wk = 0.0033670 k( 39) = ( 0.4523810 0.0000000 0.0000000), wk = 0.0033670 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0033670 k( 41) = ( 0.4761905 0.0000000 0.0000000), wk = 0.0033670 k( 42) = ( 0.4880952 0.0000000 0.0000000), wk = 0.0033670 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 45) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0033670 k( 46) = ( 0.4861111 0.0277778 0.0000000), wk = 0.0033670 k( 47) = ( 0.4791667 0.0416667 0.0000000), wk = 0.0033670 k( 48) = ( 0.4722222 0.0555556 -0.0000000), wk = 0.0033670 k( 49) = ( 0.4652778 0.0694444 0.0000000), wk = 0.0033670 k( 50) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0033670 k( 51) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0033670 k( 52) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0033670 k( 53) = ( 0.4375000 0.1250000 0.0000000), wk = 0.0033670 k( 54) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0033670 k( 55) = ( 0.4236111 0.1527778 -0.0000000), wk = 0.0033670 k( 56) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0033670 k( 57) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0033670 k( 58) = ( 0.4027778 0.1944444 -0.0000000), wk = 0.0033670 k( 59) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0033670 k( 60) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033670 k( 61) = ( 0.3819444 0.2361111 -0.0000000), wk = 0.0033670 k( 62) = ( 0.3750000 0.2500000 0.0000000), wk = 0.0033670 k( 63) = ( 0.3680556 0.2638889 -0.0000000), wk = 0.0033670 k( 64) = ( 0.3611111 0.2777778 -0.0000000), wk = 0.0033670 k( 65) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0033670 k( 66) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0033670 k( 67) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0033670 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 69) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 70) = ( 0.3263889 0.3263889 -0.0000000), wk = 0.0033670 k( 71) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0033670 k( 72) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0033670 k( 73) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0033670 k( 74) = ( 0.2986111 0.2986111 0.0000000), wk = 0.0033670 k( 75) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0033670 k( 76) = ( 0.2847222 0.2847222 -0.0000000), wk = 0.0033670 k( 77) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0033670 k( 78) = ( 0.2708333 0.2708333 -0.0000000), wk = 0.0033670 k( 79) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0033670 k( 80) = ( 0.2569444 0.2569444 -0.0000000), wk = 0.0033670 k( 81) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033670 k( 82) = ( 0.2430556 0.2430556 0.0000000), wk = 0.0033670 k( 83) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0033670 k( 84) = ( 0.2291667 0.2291667 0.0000000), wk = 0.0033670 k( 85) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0033670 k( 86) = ( 0.2152778 0.2152778 -0.0000000), wk = 0.0033670 k( 87) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0033670 k( 88) = ( 0.2013889 0.2013889 0.0000000), wk = 0.0033670 k( 89) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0033670 k( 90) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0033670 k( 91) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0033670 k( 92) = ( 0.1736111 0.1736111 0.0000000), wk = 0.0033670 k( 93) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033670 k( 94) = ( 0.1597222 0.1597222 -0.0000000), wk = 0.0033670 k( 95) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0033670 k( 96) = ( 0.1458333 0.1458333 -0.0000000), wk = 0.0033670 k( 97) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0033670 k( 98) = ( 0.1319444 0.1319444 -0.0000000), wk = 0.0033670 k( 99) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0033670 k( 100) = ( 0.1180556 0.1180556 -0.0000000), wk = 0.0033670 k( 101) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0033670 k( 102) = ( 0.1041667 0.1041667 0.0000000), wk = 0.0033670 k( 103) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0033670 k( 104) = ( 0.0902778 0.0902778 -0.0000000), wk = 0.0033670 k( 105) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0033670 k( 106) = ( 0.0763889 0.0763889 0.0000000), wk = 0.0033670 k( 107) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0033670 k( 108) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0033670 k( 109) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0033670 k( 110) = ( 0.0486111 0.0486111 0.0000000), wk = 0.0033670 k( 111) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0033670 k( 112) = ( 0.0347222 0.0347222 0.0000000), wk = 0.0033670 k( 113) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0033670 k( 114) = ( 0.0208333 0.0208333 0.0000000), wk = 0.0033670 k( 115) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0033670 k( 116) = ( 0.0069444 0.0069444 0.0000000), wk = 0.0033670 k( 117) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 118) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033670 k( 119) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0033670 k( 120) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0033670 k( 121) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0033670 k( 122) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0033670 k( 123) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0033670 k( 124) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0033670 k( 125) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0033670 k( 126) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0033670 k( 127) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0033670 k( 128) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033670 k( 129) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0033670 k( 130) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0033670 k( 131) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0033670 k( 132) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0033670 k( 133) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0033670 k( 134) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0033670 k( 135) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0033670 k( 136) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0033670 k( 137) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0033670 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 139) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 140) = ( 0.0119048 0.0000000 0.5000000), wk = 0.0033670 k( 141) = ( 0.0238095 0.0000000 0.5000000), wk = 0.0033670 k( 142) = ( 0.0357143 0.0000000 0.5000000), wk = 0.0033670 k( 143) = ( 0.0476191 0.0000000 0.5000000), wk = 0.0033670 k( 144) = ( 0.0595238 0.0000000 0.5000000), wk = 0.0033670 k( 145) = ( 0.0714286 0.0000000 0.5000000), wk = 0.0033670 k( 146) = ( 0.0833333 -0.0000000 0.5000000), wk = 0.0033670 k( 147) = ( 0.0952381 0.0000000 0.5000000), wk = 0.0033670 k( 148) = ( 0.1071429 -0.0000000 0.5000000), wk = 0.0033670 k( 149) = ( 0.1190476 0.0000000 0.5000000), wk = 0.0033670 k( 150) = ( 0.1309524 0.0000000 0.5000000), wk = 0.0033670 k( 151) = ( 0.1428571 0.0000000 0.5000000), wk = 0.0033670 k( 152) = ( 0.1547619 0.0000000 0.5000000), wk = 0.0033670 k( 153) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0033670 k( 154) = ( 0.1785714 -0.0000000 0.5000000), wk = 0.0033670 k( 155) = ( 0.1904762 0.0000000 0.5000000), wk = 0.0033670 k( 156) = ( 0.2023810 0.0000000 0.5000000), wk = 0.0033670 k( 157) = ( 0.2142857 -0.0000000 0.5000000), wk = 0.0033670 k( 158) = ( 0.2261905 0.0000000 0.5000000), wk = 0.0033670 k( 159) = ( 0.2380952 0.0000000 0.5000000), wk = 0.0033670 k( 160) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033670 k( 161) = ( 0.2619048 0.0000000 0.5000000), wk = 0.0033670 k( 162) = ( 0.2738095 -0.0000000 0.5000000), wk = 0.0033670 k( 163) = ( 0.2857143 0.0000000 0.5000000), wk = 0.0033670 k( 164) = ( 0.2976190 0.0000000 0.5000000), wk = 0.0033670 k( 165) = ( 0.3095238 -0.0000000 0.5000000), wk = 0.0033670 k( 166) = ( 0.3214286 -0.0000000 0.5000000), wk = 0.0033670 k( 167) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0033670 k( 168) = ( 0.3452381 -0.0000000 0.5000000), wk = 0.0033670 k( 169) = ( 0.3571429 -0.0000000 0.5000000), wk = 0.0033670 k( 170) = ( 0.3690476 -0.0000000 0.5000000), wk = 0.0033670 k( 171) = ( 0.3809524 0.0000000 0.5000000), wk = 0.0033670 k( 172) = ( 0.3928571 0.0000000 0.5000000), wk = 0.0033670 k( 173) = ( 0.4047619 0.0000000 0.5000000), wk = 0.0033670 k( 174) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0033670 k( 175) = ( 0.4285714 0.0000000 0.5000000), wk = 0.0033670 k( 176) = ( 0.4404762 -0.0000000 0.5000000), wk = 0.0033670 k( 177) = ( 0.4523810 0.0000000 0.5000000), wk = 0.0033670 k( 178) = ( 0.4642857 -0.0000000 0.5000000), wk = 0.0033670 k( 179) = ( 0.4761905 0.0000000 0.5000000), wk = 0.0033670 k( 180) = ( 0.4880952 0.0000000 0.5000000), wk = 0.0033670 k( 181) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 182) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 183) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0033670 k( 184) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0033670 k( 185) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0033670 k( 186) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0033670 k( 187) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0033670 k( 188) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0033670 k( 189) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0033670 k( 190) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033670 k( 191) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0033670 k( 192) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0033670 k( 193) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0033670 k( 194) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0033670 k( 195) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0033670 k( 196) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0033670 k( 197) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0033670 k( 198) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033670 k( 199) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0033670 k( 200) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0033670 k( 201) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0033670 k( 202) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0033670 k( 203) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0033670 k( 204) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0033670 k( 205) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0033670 k( 206) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 207) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 k( 208) = ( 0.3263889 0.3263889 0.5000000), wk = 0.0033670 k( 209) = ( 0.3194444 0.3194444 0.5000000), wk = 0.0033670 k( 210) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0033670 k( 211) = ( 0.3055556 0.3055556 0.5000000), wk = 0.0033670 k( 212) = ( 0.2986111 0.2986111 0.5000000), wk = 0.0033670 k( 213) = ( 0.2916667 0.2916667 0.5000000), wk = 0.0033670 k( 214) = ( 0.2847222 0.2847222 0.5000000), wk = 0.0033670 k( 215) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0033670 k( 216) = ( 0.2708333 0.2708333 0.5000000), wk = 0.0033670 k( 217) = ( 0.2638889 0.2638889 0.5000000), wk = 0.0033670 k( 218) = ( 0.2569444 0.2569444 0.5000000), wk = 0.0033670 k( 219) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0033670 k( 220) = ( 0.2430556 0.2430556 0.5000000), wk = 0.0033670 k( 221) = ( 0.2361111 0.2361111 0.5000000), wk = 0.0033670 k( 222) = ( 0.2291667 0.2291667 0.5000000), wk = 0.0033670 k( 223) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0033670 k( 224) = ( 0.2152778 0.2152778 0.5000000), wk = 0.0033670 k( 225) = ( 0.2083333 0.2083333 0.5000000), wk = 0.0033670 k( 226) = ( 0.2013889 0.2013889 0.5000000), wk = 0.0033670 k( 227) = ( 0.1944444 0.1944444 0.5000000), wk = 0.0033670 k( 228) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0033670 k( 229) = ( 0.1805556 0.1805556 0.5000000), wk = 0.0033670 k( 230) = ( 0.1736111 0.1736111 0.5000000), wk = 0.0033670 k( 231) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033670 k( 232) = ( 0.1597222 0.1597222 0.5000000), wk = 0.0033670 k( 233) = ( 0.1527778 0.1527778 0.5000000), wk = 0.0033670 k( 234) = ( 0.1458333 0.1458333 0.5000000), wk = 0.0033670 k( 235) = ( 0.1388889 0.1388889 0.5000000), wk = 0.0033670 k( 236) = ( 0.1319444 0.1319444 0.5000000), wk = 0.0033670 k( 237) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0033670 k( 238) = ( 0.1180556 0.1180556 0.5000000), wk = 0.0033670 k( 239) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0033670 k( 240) = ( 0.1041667 0.1041667 0.5000000), wk = 0.0033670 k( 241) = ( 0.0972222 0.0972222 0.5000000), wk = 0.0033670 k( 242) = ( 0.0902778 0.0902778 0.5000000), wk = 0.0033670 k( 243) = ( 0.0833333 0.0833333 0.5000000), wk = 0.0033670 k( 244) = ( 0.0763889 0.0763889 0.5000000), wk = 0.0033670 k( 245) = ( 0.0694444 0.0694444 0.5000000), wk = 0.0033670 k( 246) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0033670 k( 247) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0033670 k( 248) = ( 0.0486111 0.0486111 0.5000000), wk = 0.0033670 k( 249) = ( 0.0416667 0.0416667 0.5000000), wk = 0.0033670 k( 250) = ( 0.0347222 0.0347222 0.5000000), wk = 0.0033670 k( 251) = ( 0.0277778 0.0277778 0.5000000), wk = 0.0033670 k( 252) = ( 0.0208333 0.0208333 0.5000000), wk = 0.0033670 k( 253) = ( 0.0138889 0.0138889 0.5000000), wk = 0.0033670 k( 254) = ( 0.0069444 0.0069444 0.5000000), wk = 0.0033670 k( 255) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033670 k( 256) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033670 k( 257) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0033670 k( 258) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0033670 k( 259) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0033670 k( 260) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0033670 k( 261) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0033670 k( 262) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0033670 k( 263) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0033670 k( 264) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0033670 k( 265) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0033670 k( 266) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033670 k( 267) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0033670 k( 268) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0033670 k( 269) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0033670 k( 270) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0033670 k( 271) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0033670 k( 272) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0033670 k( 273) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0033670 k( 274) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0033670 k( 275) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0033670 k( 276) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033670 k( 277) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033670 k( 278) = ( 0.3333333 0.3333333 0.0250000), wk = 0.0033670 k( 279) = ( 0.3333333 0.3333333 0.0500000), wk = 0.0033670 k( 280) = ( 0.3333333 0.3333333 0.0750000), wk = 0.0033670 k( 281) = ( 0.3333333 0.3333333 0.1000000), wk = 0.0033670 k( 282) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0033670 k( 283) = ( 0.3333333 0.3333333 0.1500000), wk = 0.0033670 k( 284) = ( 0.3333333 0.3333333 0.1750000), wk = 0.0033670 k( 285) = ( 0.3333333 0.3333333 0.2000000), wk = 0.0033670 k( 286) = ( 0.3333333 0.3333333 0.2250000), wk = 0.0033670 k( 287) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033670 k( 288) = ( 0.3333333 0.3333333 0.2750000), wk = 0.0033670 k( 289) = ( 0.3333333 0.3333333 0.3000000), wk = 0.0033670 k( 290) = ( 0.3333333 0.3333333 0.3250000), wk = 0.0033670 k( 291) = ( 0.3333333 0.3333333 0.3500000), wk = 0.0033670 k( 292) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0033670 k( 293) = ( 0.3333333 0.3333333 0.4000000), wk = 0.0033670 k( 294) = ( 0.3333333 0.3333333 0.4250000), wk = 0.0033670 k( 295) = ( 0.3333333 0.3333333 0.4500000), wk = 0.0033670 k( 296) = ( 0.3333333 0.3333333 0.4750000), wk = 0.0033670 k( 297) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033670 Dense grid: 125713 G-vectors FFT dimensions: ( 54, 54, 100) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.60 Mb ( 892, 44) NL pseudopotentials 1.12 Mb ( 446, 164) Each V/rho on FFT grid 0.13 Mb ( 8748) Each G-vector array 0.03 Mb ( 3492) G-vector shells 0.01 Mb ( 1533) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.40 Mb ( 892, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 164, 2, 44) The potential is recalculated from file : ./SrLiP.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 5.0 secs Computing kpt #: 4 total cpu time spent up to now is 5.9 secs Computing kpt #: 5 total cpu time spent up to now is 6.9 secs Computing kpt #: 6 total cpu time spent up to now is 7.9 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.9 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 12.1 secs Computing kpt #: 11 total cpu time spent up to now is 13.4 secs Computing kpt #: 12 total cpu time spent up to now is 14.5 secs Computing kpt #: 13 total cpu time spent up to now is 15.5 secs Computing kpt #: 14 total cpu time spent up to now is 16.5 secs Computing kpt #: 15 total cpu time spent up to now is 17.6 secs Computing kpt #: 16 total cpu time spent up to now is 18.6 secs Computing kpt #: 17 total cpu time spent up to now is 19.6 secs Computing kpt #: 18 total cpu time spent up to now is 20.6 secs Computing kpt #: 19 total cpu time spent up to now is 21.5 secs Computing kpt #: 20 total cpu time spent up to now is 22.3 secs Computing kpt #: 21 total cpu time spent up to now is 23.2 secs Computing kpt #: 22 total cpu time spent up to now is 24.1 secs Computing kpt #: 23 total cpu time spent up to now is 25.2 secs Computing kpt #: 24 total cpu time spent up to now is 26.2 secs Computing kpt #: 25 total cpu time spent up to now is 27.2 secs Computing kpt #: 26 total cpu time spent up to now is 28.6 secs Computing kpt #: 27 total cpu time spent up to now is 30.6 secs Computing kpt #: 28 total cpu time spent up to now is 32.0 secs Computing kpt #: 29 total cpu time spent up to now is 33.0 secs Computing kpt #: 30 total cpu time spent up to now is 34.1 secs Computing kpt #: 31 total cpu time spent up to now is 34.9 secs Computing kpt #: 32 total cpu time spent up to now is 35.8 secs Computing kpt #: 33 total cpu time spent up to now is 36.7 secs Computing kpt #: 34 total cpu time spent up to now is 37.5 secs Computing kpt #: 35 total cpu time spent up to now is 38.3 secs Computing kpt #: 36 total cpu time spent up to now is 39.2 secs Computing kpt #: 37 total cpu time spent up to now is 40.0 secs Computing kpt #: 38 total cpu time spent up to now is 40.8 secs Computing kpt #: 39 total cpu time spent up to now is 41.7 secs Computing kpt #: 40 total cpu time spent up to now is 42.5 secs Computing kpt #: 41 total cpu time spent up to now is 43.3 secs Computing kpt #: 42 total cpu time spent up to now is 44.1 secs Computing kpt #: 43 total cpu time spent up to now is 44.9 secs Computing kpt #: 44 total cpu time spent up to now is 45.7 secs Computing kpt #: 45 total cpu time spent up to now is 46.7 secs Computing kpt #: 46 total cpu time spent up to now is 47.6 secs Computing kpt #: 47 total cpu time spent up to now is 48.5 secs Computing kpt #: 48 total cpu time spent up to now is 49.4 secs Computing kpt #: 49 total cpu time spent up to now is 50.2 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.9 secs Computing kpt #: 52 total cpu time spent up to now is 52.7 secs Computing kpt #: 53 total cpu time spent up to now is 53.6 secs Computing kpt #: 54 total cpu time spent up to now is 54.4 secs Computing kpt #: 55 total cpu time spent up to now is 55.2 secs Computing kpt #: 56 total cpu time spent up to now is 56.1 secs Computing kpt #: 57 total cpu time spent up to now is 56.9 secs Computing kpt #: 58 total cpu time spent up to now is 57.7 secs Computing kpt #: 59 total cpu time spent up to now is 58.6 secs Computing kpt #: 60 total cpu time spent up to now is 59.4 secs Computing kpt #: 61 total cpu time spent up to now is 60.2 secs Computing kpt #: 62 total cpu time spent up to now is 61.1 secs Computing kpt #: 63 total cpu time spent up to now is 61.9 secs Computing kpt #: 64 total cpu time spent up to now is 62.7 secs Computing kpt #: 65 total cpu time spent up to now is 63.6 secs Computing kpt #: 66 total cpu time spent up to now is 64.5 secs Computing kpt #: 67 total cpu time spent up to now is 65.4 secs Computing kpt #: 68 total cpu time spent up to now is 66.4 secs Computing kpt #: 69 total cpu time spent up to now is 67.3 secs Computing kpt #: 70 total cpu time spent up to now is 68.2 secs Computing kpt #: 71 total cpu time spent up to now is 69.1 secs Computing kpt #: 72 total cpu time spent up to now is 70.0 secs Computing kpt #: 73 total cpu time spent up to now is 70.8 secs Computing kpt #: 74 total cpu time spent up to now is 71.7 secs Computing kpt #: 75 total cpu time spent up to now is 72.5 secs Computing kpt #: 76 total cpu time spent up to now is 73.3 secs Computing kpt #: 77 total cpu time spent up to now is 74.2 secs Computing kpt #: 78 total cpu time spent up to now is 75.0 secs Computing kpt #: 79 total cpu time spent up to now is 75.8 secs Computing kpt #: 80 total cpu time spent up to now is 76.7 secs Computing kpt #: 81 total cpu time spent up to now is 77.5 secs Computing kpt #: 82 total cpu time spent up to now is 78.3 secs Computing kpt #: 83 total cpu time spent up to now is 79.2 secs Computing kpt #: 84 total cpu time spent up to now is 80.1 secs Computing kpt #: 85 total cpu time spent up to now is 80.9 secs Computing kpt #: 86 total cpu time spent up to now is 81.8 secs Computing kpt #: 87 total cpu time spent up to now is 82.7 secs Computing kpt #: 88 total cpu time spent up to now is 83.6 secs Computing kpt #: 89 total cpu time spent up to now is 84.5 secs Computing kpt #: 90 total cpu time spent up to now is 85.3 secs Computing kpt #: 91 total cpu time spent up to now is 86.2 secs Computing kpt #: 92 total cpu time spent up to now is 87.1 secs Computing kpt #: 93 total cpu time spent up to now is 88.0 secs Computing kpt #: 94 total cpu time spent up to now is 88.8 secs Computing kpt #: 95 total cpu time spent up to now is 89.7 secs Computing kpt #: 96 total cpu time spent up to now is 90.6 secs Computing kpt #: 97 total cpu time spent up to now is 91.5 secs Computing kpt #: 98 total cpu time spent up to now is 92.3 secs Computing kpt #: 99 total cpu time spent up to now is 93.2 secs Computing kpt #: 100 total cpu time spent up to now is 94.1 secs Computing kpt #: 101 total cpu time spent up to now is 95.0 secs Computing kpt #: 102 total cpu time spent up to now is 96.0 secs Computing kpt #: 103 total cpu time spent up to now is 96.8 secs Computing kpt #: 104 total cpu time spent up to now is 97.8 secs Computing kpt #: 105 total cpu time spent up to now is 98.9 secs Computing kpt #: 106 total cpu time spent up to now is 99.9 secs Computing kpt #: 107 total cpu time spent up to now is 101.0 secs Computing kpt #: 108 total cpu time spent up to now is 102.1 secs Computing kpt #: 109 total cpu time spent up to now is 103.1 secs Computing kpt #: 110 total cpu time spent up to now is 104.1 secs Computing kpt #: 111 total cpu time spent up to now is 105.1 secs Computing kpt #: 112 total cpu time spent up to now is 106.1 secs Computing kpt #: 113 total cpu time spent up to now is 107.1 secs Computing kpt #: 114 total cpu time spent up to now is 108.0 secs Computing kpt #: 115 total cpu time spent up to now is 108.9 secs Computing kpt #: 116 total cpu time spent up to now is 109.8 secs Computing kpt #: 117 total cpu time spent up to now is 110.8 secs Computing kpt #: 118 total cpu time spent up to now is 111.7 secs Computing kpt #: 119 total cpu time spent up to now is 112.5 secs Computing kpt #: 120 total cpu time spent up to now is 113.4 secs Computing kpt #: 121 total cpu time spent up to now is 114.4 secs Computing kpt #: 122 total cpu time spent up to now is 115.4 secs Computing kpt #: 123 total cpu time spent up to now is 116.5 secs Computing kpt #: 124 total cpu time spent up to now is 117.5 secs Computing kpt #: 125 total cpu time spent up to now is 118.5 secs Computing kpt #: 126 total cpu time spent up to now is 119.5 secs Computing kpt #: 127 total cpu time spent up to now is 120.6 secs Computing kpt #: 128 total cpu time spent up to now is 121.6 secs Computing kpt #: 129 total cpu time spent up to now is 122.7 secs Computing kpt #: 130 total cpu time spent up to now is 123.7 secs Computing kpt #: 131 total cpu time spent up to now is 124.8 secs Computing kpt #: 132 total cpu time spent up to now is 126.0 secs Computing kpt #: 133 total cpu time spent up to now is 127.1 secs Computing kpt #: 134 total cpu time spent up to now is 128.2 secs Computing kpt #: 135 total cpu time spent up to now is 129.2 secs Computing kpt #: 136 total cpu time spent up to now is 130.4 secs Computing kpt #: 137 total cpu time spent up to now is 131.6 secs Computing kpt #: 138 total cpu time spent up to now is 132.8 secs Computing kpt #: 139 total cpu time spent up to now is 134.7 secs Computing kpt #: 140 total cpu time spent up to now is 136.0 secs Computing kpt #: 141 total cpu time spent up to now is 137.3 secs Computing kpt #: 142 total cpu time spent up to now is 138.5 secs Computing kpt #: 143 total cpu time spent up to now is 139.8 secs Computing kpt #: 144 total cpu time spent up to now is 141.2 secs Computing kpt #: 145 total cpu time spent up to now is 142.5 secs Computing kpt #: 146 total cpu time spent up to now is 143.8 secs Computing kpt #: 147 total cpu time spent up to now is 145.2 secs Computing kpt #: 148 total cpu time spent up to now is 146.6 secs Computing kpt #: 149 total cpu time spent up to now is 148.0 secs Computing kpt #: 150 total cpu time spent up to now is 149.5 secs Computing kpt #: 151 total cpu time spent up to now is 150.8 secs Computing kpt #: 152 total cpu time spent up to now is 152.1 secs Computing kpt #: 153 total cpu time spent up to now is 153.2 secs Computing kpt #: 154 total cpu time spent up to now is 154.2 secs Computing kpt #: 155 total cpu time spent up to now is 155.1 secs Computing kpt #: 156 total cpu time spent up to now is 156.0 secs Computing kpt #: 157 total cpu time spent up to now is 156.9 secs Computing kpt #: 158 total cpu time spent up to now is 157.7 secs Computing kpt #: 159 total cpu time spent up to now is 158.6 secs Computing kpt #: 160 total cpu time spent up to now is 159.4 secs Computing kpt #: 161 total cpu time spent up to now is 160.3 secs Computing kpt #: 162 total cpu time spent up to now is 161.1 secs Computing kpt #: 163 total cpu time spent up to now is 162.0 secs Computing kpt #: 164 total cpu time spent up to now is 162.8 secs Computing kpt #: 165 total cpu time spent up to now is 163.6 secs Computing kpt #: 166 total cpu time spent up to now is 164.4 secs Computing kpt #: 167 total cpu time spent up to now is 165.2 secs Computing kpt #: 168 total cpu time spent up to now is 166.0 secs Computing kpt #: 169 total cpu time spent up to now is 166.8 secs Computing kpt #: 170 total cpu time spent up to now is 167.7 secs Computing kpt #: 171 total cpu time spent up to now is 168.5 secs Computing kpt #: 172 total cpu time spent up to now is 169.4 secs Computing kpt #: 173 total cpu time spent up to now is 170.2 secs Computing kpt #: 174 total cpu time spent up to now is 171.0 secs Computing kpt #: 175 total cpu time spent up to now is 171.8 secs Computing kpt #: 176 total cpu time spent up to now is 172.6 secs Computing kpt #: 177 total cpu time spent up to now is 173.4 secs Computing kpt #: 178 total cpu time spent up to now is 174.1 secs Computing kpt #: 179 total cpu time spent up to now is 174.9 secs Computing kpt #: 180 total cpu time spent up to now is 175.7 secs Computing kpt #: 181 total cpu time spent up to now is 176.5 secs Computing kpt #: 182 total cpu time spent up to now is 177.3 secs Computing kpt #: 183 total cpu time spent up to now is 178.1 secs Computing kpt #: 184 total cpu time spent up to now is 178.8 secs Computing kpt #: 185 total cpu time spent up to now is 179.6 secs Computing kpt #: 186 total cpu time spent up to now is 180.4 secs Computing kpt #: 187 total cpu time spent up to now is 181.2 secs Computing kpt #: 188 total cpu time spent up to now is 182.0 secs Computing kpt #: 189 total cpu time spent up to now is 182.8 secs Computing kpt #: 190 total cpu time spent up to now is 183.6 secs Computing kpt #: 191 total cpu time spent up to now is 184.4 secs Computing kpt #: 192 total cpu time spent up to now is 185.2 secs Computing kpt #: 193 total cpu time spent up to now is 186.1 secs Computing kpt #: 194 total cpu time spent up to now is 186.9 secs Computing kpt #: 195 total cpu time spent up to now is 187.7 secs Computing kpt #: 196 total cpu time spent up to now is 188.6 secs Computing kpt #: 197 total cpu time spent up to now is 189.4 secs Computing kpt #: 198 total cpu time spent up to now is 190.3 secs Computing kpt #: 199 total cpu time spent up to now is 191.2 secs Computing kpt #: 200 total cpu time spent up to now is 192.1 secs Computing kpt #: 201 total cpu time spent up to now is 193.0 secs Computing kpt #: 202 total cpu time spent up to now is 194.0 secs Computing kpt #: 203 total cpu time spent up to now is 195.1 secs Computing kpt #: 204 total cpu time spent up to now is 196.2 secs Computing kpt #: 205 total cpu time spent up to now is 197.2 secs Computing kpt #: 206 total cpu time spent up to now is 198.3 secs Computing kpt #: 207 total cpu time spent up to now is 199.5 secs Computing kpt #: 208 total cpu time spent up to now is 200.6 secs Computing kpt #: 209 total cpu time spent up to now is 201.7 secs Computing kpt #: 210 total cpu time spent up to now is 202.7 secs Computing kpt #: 211 total cpu time spent up to now is 203.7 secs Computing kpt #: 212 total cpu time spent up to now is 204.6 secs Computing kpt #: 213 total cpu time spent up to now is 205.5 secs Computing kpt #: 214 total cpu time spent up to now is 206.4 secs Computing kpt #: 215 total cpu time spent up to now is 207.2 secs Computing kpt #: 216 total cpu time spent up to now is 208.1 secs Computing kpt #: 217 total cpu time spent up to now is 208.9 secs Computing kpt #: 218 total cpu time spent up to now is 209.8 secs Computing kpt #: 219 total cpu time spent up to now is 210.6 secs Computing kpt #: 220 total cpu time spent up to now is 211.5 secs Computing kpt #: 221 total cpu time spent up to now is 212.4 secs Computing kpt #: 222 total cpu time spent up to now is 213.2 secs Computing kpt #: 223 total cpu time spent up to now is 214.1 secs Computing kpt #: 224 total cpu time spent up to now is 215.0 secs Computing kpt #: 225 total cpu time spent up to now is 215.9 secs Computing kpt #: 226 total cpu time spent up to now is 216.7 secs Computing kpt #: 227 total cpu time spent up to now is 217.6 secs Computing kpt #: 228 total cpu time spent up to now is 218.5 secs Computing kpt #: 229 total cpu time spent up to now is 219.4 secs Computing kpt #: 230 total cpu time spent up to now is 220.2 secs Computing kpt #: 231 total cpu time spent up to now is 221.1 secs Computing kpt #: 232 total cpu time spent up to now is 222.0 secs Computing kpt #: 233 total cpu time spent up to now is 223.0 secs Computing kpt #: 234 total cpu time spent up to now is 223.9 secs Computing kpt #: 235 total cpu time spent up to now is 224.8 secs Computing kpt #: 236 total cpu time spent up to now is 225.6 secs Computing kpt #: 237 total cpu time spent up to now is 226.5 secs Computing kpt #: 238 total cpu time spent up to now is 227.4 secs Computing kpt #: 239 total cpu time spent up to now is 228.2 secs Computing kpt #: 240 total cpu time spent up to now is 229.1 secs Computing kpt #: 241 total cpu time spent up to now is 230.0 secs Computing kpt #: 242 total cpu time spent up to now is 230.8 secs Computing kpt #: 243 total cpu time spent up to now is 231.7 secs Computing kpt #: 244 total cpu time spent up to now is 232.6 secs Computing kpt #: 245 total cpu time spent up to now is 233.5 secs Computing kpt #: 246 total cpu time spent up to now is 234.3 secs Computing kpt #: 247 total cpu time spent up to now is 235.2 secs Computing kpt #: 248 total cpu time spent up to now is 236.1 secs Computing kpt #: 249 total cpu time spent up to now is 237.0 secs Computing kpt #: 250 total cpu time spent up to now is 237.9 secs Computing kpt #: 251 total cpu time spent up to now is 238.7 secs Computing kpt #: 252 total cpu time spent up to now is 239.8 secs Computing kpt #: 253 total cpu time spent up to now is 241.1 secs Computing kpt #: 254 total cpu time spent up to now is 242.3 secs Computing kpt #: 255 total cpu time spent up to now is 243.5 secs Computing kpt #: 256 total cpu time spent up to now is 244.3 secs Computing kpt #: 257 total cpu time spent up to now is 245.1 secs Computing kpt #: 258 total cpu time spent up to now is 245.9 secs Computing kpt #: 259 total cpu time spent up to now is 246.7 secs Computing kpt #: 260 total cpu time spent up to now is 247.4 secs Computing kpt #: 261 total cpu time spent up to now is 248.2 secs Computing kpt #: 262 total cpu time spent up to now is 249.0 secs Computing kpt #: 263 total cpu time spent up to now is 249.8 secs Computing kpt #: 264 total cpu time spent up to now is 250.6 secs Computing kpt #: 265 total cpu time spent up to now is 251.4 secs Computing kpt #: 266 total cpu time spent up to now is 252.2 secs Computing kpt #: 267 total cpu time spent up to now is 252.9 secs Computing kpt #: 268 total cpu time spent up to now is 253.7 secs Computing kpt #: 269 total cpu time spent up to now is 254.5 secs Computing kpt #: 270 total cpu time spent up to now is 255.3 secs Computing kpt #: 271 total cpu time spent up to now is 256.1 secs Computing kpt #: 272 total cpu time spent up to now is 257.0 secs Computing kpt #: 273 total cpu time spent up to now is 257.8 secs Computing kpt #: 274 total cpu time spent up to now is 258.6 secs Computing kpt #: 275 total cpu time spent up to now is 259.4 secs Computing kpt #: 276 total cpu time spent up to now is 260.2 secs Computing kpt #: 277 total cpu time spent up to now is 261.1 secs Computing kpt #: 278 total cpu time spent up to now is 262.0 secs Computing kpt #: 279 total cpu time spent up to now is 262.9 secs Computing kpt #: 280 total cpu time spent up to now is 263.9 secs Computing kpt #: 281 total cpu time spent up to now is 264.8 secs Computing kpt #: 282 total cpu time spent up to now is 265.8 secs Computing kpt #: 283 total cpu time spent up to now is 266.9 secs Computing kpt #: 284 total cpu time spent up to now is 267.9 secs Computing kpt #: 285 total cpu time spent up to now is 268.9 secs Computing kpt #: 286 total cpu time spent up to now is 270.0 secs Computing kpt #: 287 total cpu time spent up to now is 271.0 secs Computing kpt #: 288 total cpu time spent up to now is 272.1 secs Computing kpt #: 289 total cpu time spent up to now is 273.1 secs Computing kpt #: 290 total cpu time spent up to now is 274.3 secs Computing kpt #: 291 total cpu time spent up to now is 275.3 secs Computing kpt #: 292 total cpu time spent up to now is 276.4 secs Computing kpt #: 293 total cpu time spent up to now is 277.8 secs Computing kpt #: 294 total cpu time spent up to now is 279.3 secs Computing kpt #: 295 total cpu time spent up to now is 280.6 secs Computing kpt #: 296 total cpu time spent up to now is 281.8 secs Computing kpt #: 297 total cpu time spent up to now is 282.9 secs ethr = 2.78E-08, avg # of iterations = 21.9 total cpu time spent up to now is 282.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 15715 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1851 -11.1851 -11.1098 -11.1098 -10.1233 -10.1233 -9.9799 -9.9799 -9.9501 -9.9501 -9.9467 -9.9467 -2.7482 -2.7482 -2.0193 -2.0193 3.2462 3.2462 5.4017 5.4017 5.4243 5.4243 6.2675 6.2675 6.3281 6.3281 6.3449 6.3449 7.8087 7.8087 8.8378 8.8378 8.8439 8.8439 9.0408 9.0408 k = 0.0119 0.0069-0.0000 ( 15699 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1852 -11.1852 -11.1099 -11.1099 -10.1233 -10.1233 -9.9801 -9.9801 -9.9502 -9.9502 -9.9467 -9.9467 -2.7474 -2.7474 -2.0194 -2.0194 3.2479 3.2479 5.4006 5.4006 5.4232 5.4232 6.2627 6.2627 6.3222 6.3222 6.3424 6.3424 7.8103 7.8103 8.8419 8.8419 8.8482 8.8482 9.0457 9.0457 k = 0.0238 0.0137-0.0000 ( 15695 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1853 -11.1853 -11.1101 -11.1101 -10.1234 -10.1234 -9.9806 -9.9806 -9.9507 -9.9507 -9.9468 -9.9468 -2.7448 -2.7448 -2.0199 -2.0199 3.2532 3.2532 5.3970 5.3970 5.4203 5.4203 6.2471 6.2471 6.3058 6.3058 6.3355 6.3355 7.8150 7.8150 8.8510 8.8510 8.8623 8.8623 9.0619 9.0619 k = 0.0357 0.0206-0.0000 ( 15691 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3312 -28.3312 -28.3183 -28.3183 -11.1854 -11.1854 -11.1106 -11.1106 -10.1234 -10.1234 -9.9815 -9.9815 -9.9514 -9.9514 -9.9470 -9.9470 -2.7405 -2.7405 -2.0208 -2.0208 3.2620 3.2620 5.3899 5.3899 5.4165 5.4165 6.2166 6.2166 6.2832 6.2832 6.3253 6.3253 7.8228 7.8228 8.8604 8.8604 8.8872 8.8872 9.0920 9.0920 k = 0.0476 0.0275-0.0000 ( 15695 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3312 -28.3312 -28.3182 -28.3182 -11.1857 -11.1857 -11.1111 -11.1111 -10.1235 -10.1235 -9.9827 -9.9827 -9.9523 -9.9523 -9.9472 -9.9472 -2.7346 -2.7346 -2.0219 -2.0219 3.2743 3.2743 5.3788 5.3788 5.4125 5.4125 6.1690 6.1690 6.2585 6.2585 6.3121 6.3121 7.8332 7.8332 8.8668 8.8668 8.9220 8.9220 9.1384 9.1384 k = 0.0595 0.0344-0.0000 ( 15687 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3311 -28.3311 -28.3181 -28.3181 -11.1860 -11.1860 -11.1119 -11.1119 -10.1236 -10.1236 -9.9842 -9.9842 -9.9536 -9.9536 -9.9474 -9.9474 -2.7270 -2.7270 -2.0234 -2.0234 3.2900 3.2900 5.3635 5.3635 5.4086 5.4086 6.1067 6.1067 6.2316 6.2316 6.2962 6.2962 7.8459 7.8459 8.8688 8.8688 8.9660 8.9660 9.2012 9.2012 k = 0.0714 0.0412-0.0000 ( 15699 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3310 -28.3310 -28.3180 -28.3180 -11.1863 -11.1863 -11.1128 -11.1128 -10.1237 -10.1237 -9.9861 -9.9861 -9.9550 -9.9550 -9.9477 -9.9477 -2.7177 -2.7177 -2.0252 -2.0252 3.3091 3.3091 5.3446 5.3446 5.4046 5.4046 6.0327 6.0327 6.2018 6.2018 6.2778 6.2778 7.8608 7.8608 8.8668 8.8668 9.0184 9.0184 9.2787 9.2787 k = 0.0833 0.0481-0.0000 ( 15719 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3308 -28.3308 -28.3179 -28.3179 -11.1868 -11.1868 -11.1138 -11.1138 -10.1238 -10.1238 -9.9883 -9.9883 -9.9568 -9.9568 -9.9479 -9.9479 -2.7069 -2.7069 -2.0272 -2.0272 3.3317 3.3317 5.3224 5.3224 5.4002 5.4002 5.9498 5.9498 6.1690 6.1690 6.2570 6.2570 7.8775 7.8775 8.8616 8.8616 9.0785 9.0785 9.3685 9.3685 k = 0.0952 0.0550-0.0000 ( 15719 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3307 -28.3307 -28.3177 -28.3177 -11.1873 -11.1873 -11.1150 -11.1150 -10.1239 -10.1239 -9.9909 -9.9909 -9.9587 -9.9587 -9.9482 -9.9482 -2.6946 -2.6946 -2.0296 -2.0296 3.3575 3.3575 5.2973 5.2973 5.3952 5.3952 5.8601 5.8601 6.1333 6.1333 6.2341 6.2341 7.8957 7.8957 8.8542 8.8542 9.1457 9.1457 9.4683 9.4683 k = 0.1071 0.0619-0.0000 ( 15735 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3305 -28.3305 -28.3176 -28.3176 -11.1878 -11.1878 -11.1163 -11.1163 -10.1241 -10.1241 -9.9937 -9.9937 -9.9609 -9.9609 -9.9485 -9.9485 -2.6808 -2.6808 -2.0322 -2.0322 3.3865 3.3865 5.2695 5.2695 5.3897 5.3897 5.7653 5.7653 6.0954 6.0954 6.2091 6.2091 7.9150 7.9150 8.8458 8.8458 9.2193 9.2193 9.5237 9.5237 k = 0.1190 0.0687-0.0000 ( 15735 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3303 -28.3303 -28.3174 -28.3174 -11.1884 -11.1884 -11.1178 -11.1178 -10.1242 -10.1242 -9.9969 -9.9969 -9.9633 -9.9633 -9.9488 -9.9488 -2.6656 -2.6656 -2.0350 -2.0350 3.4187 3.4187 5.2394 5.2394 5.3835 5.3835 5.6669 5.6669 6.0557 6.0557 6.1823 6.1823 7.9349 7.9349 8.8371 8.8371 9.2985 9.2985 9.4832 9.4832 k = 0.1310 0.0756-0.0000 ( 15735 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3301 -28.3301 -28.3172 -28.3172 -11.1891 -11.1891 -11.1194 -11.1194 -10.1244 -10.1244 -10.0003 -10.0003 -9.9658 -9.9658 -9.9491 -9.9491 -2.6491 -2.6491 -2.0380 -2.0380 3.4540 3.4540 5.2071 5.2071 5.3765 5.3765 5.5660 5.5660 6.0149 6.0149 6.1537 6.1537 7.9551 7.9551 8.8291 8.8291 9.3827 9.3827 9.4405 9.4405 k = 0.1429 0.0825-0.0000 ( 15731 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3298 -28.3298 -28.3169 -28.3169 -11.1898 -11.1898 -11.1211 -11.1211 -10.1247 -10.1247 -10.0040 -10.0040 -9.9685 -9.9685 -9.9494 -9.9494 -2.6313 -2.6313 -2.0412 -2.0412 3.4922 3.4922 5.1725 5.1725 5.3686 5.3686 5.4641 5.4641 5.9736 5.9736 6.1236 6.1236 7.9747 7.9747 8.8227 8.8227 9.3955 9.3955 9.4718 9.4718 k = 0.1548 0.0894-0.0000 ( 15729 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3296 -28.3296 -28.3167 -28.3167 -11.1906 -11.1906 -11.1229 -11.1229 -10.1249 -10.1249 -10.0080 -10.0080 -9.9714 -9.9714 -9.9496 -9.9496 -2.6124 -2.6124 -2.0445 -2.0445 3.5333 3.5333 5.1354 5.1354 5.3594 5.3594 5.3629 5.3629 5.9321 5.9321 6.0922 6.0922 7.9930 7.9930 8.8190 8.8190 9.3492 9.3492 9.5644 9.5644 k = 0.1667 0.0962-0.0000 ( 15721 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3293 -28.3293 -28.3164 -28.3164 -11.1915 -11.1915 -11.1248 -11.1248 -10.1252 -10.1252 -10.0121 -10.0121 -9.9743 -9.9743 -9.9499 -9.9499 -2.5924 -2.5924 -2.0480 -2.0480 3.5772 3.5772 5.0944 5.0944 5.2634 5.2634 5.3500 5.3500 5.8911 5.8911 6.0597 6.0597 8.0092 8.0092 8.8190 8.8190 9.3017 9.3017 9.6605 9.6605 k = 0.1786 0.1031-0.0000 ( 15733 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3291 -28.3291 -28.3162 -28.3162 -11.1923 -11.1923 -11.1269 -11.1269 -10.1255 -10.1255 -10.0164 -10.0164 -9.9774 -9.9774 -9.9502 -9.9502 -2.5715 -2.5715 -2.0515 -2.0515 3.6236 3.6236 5.0454 5.0454 5.1719 5.1719 5.3391 5.3391 5.8509 5.8509 6.0262 6.0262 8.0224 8.0224 8.8240 8.8240 9.2531 9.2531 9.7594 9.7594 k = 0.1905 0.1100-0.0000 ( 15727 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3288 -28.3288 -28.3159 -28.3159 -11.1933 -11.1933 -11.1290 -11.1290 -10.1259 -10.1259 -10.0209 -10.0209 -9.9805 -9.9805 -9.9504 -9.9504 -2.5497 -2.5497 -2.0550 -2.0550 3.6726 3.6726 4.9802 4.9802 5.0969 5.0969 5.3269 5.3269 5.8119 5.8119 5.9921 5.9921 8.0319 8.0319 8.8349 8.8349 9.2038 9.2038 9.8606 9.8606 k = 0.2024 0.1168-0.0000 ( 15723 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3285 -28.3285 -28.3156 -28.3156 -11.1942 -11.1942 -11.1312 -11.1312 -10.1262 -10.1262 -10.0254 -10.0254 -9.9837 -9.9837 -9.9506 -9.9506 -2.5273 -2.5273 -2.0584 -2.0584 3.7238 3.7238 4.8965 4.8965 5.0414 5.0414 5.3135 5.3135 5.7745 5.7745 5.9574 5.9574 8.0368 8.0368 8.8525 8.8525 9.1539 9.1539 9.9638 9.9638 k = 0.2143 0.1237-0.0000 ( 15727 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3282 -28.3282 -28.3154 -28.3154 -11.1952 -11.1952 -11.1334 -11.1334 -10.1266 -10.1266 -10.0301 -10.0301 -9.9869 -9.9869 -9.9508 -9.9508 -2.5044 -2.5044 -2.0617 -2.0617 3.7772 3.7772 4.8031 4.8031 4.9971 4.9971 5.2987 5.2987 5.7390 5.7390 5.9224 5.9224 8.0370 8.0370 8.8773 8.8773 9.1035 9.1035 10.0683 10.0683 k = 0.2262 0.1306-0.0000 ( 15719 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3279 -28.3279 -28.3151 -28.3151 -11.1963 -11.1963 -11.1357 -11.1357 -10.1271 -10.1271 -10.0349 -10.0349 -9.9901 -9.9901 -9.9510 -9.9510 -2.4811 -2.4811 -2.0648 -2.0648 3.8326 3.8326 4.7068 4.7068 4.9578 4.9578 5.2825 5.2825 5.7057 5.7057 5.8872 5.8872 8.0324 8.0324 8.9095 8.9095 9.0529 9.0529 10.1738 10.1738 k = 0.2381 0.1375-0.0000 ( 15723 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3276 -28.3276 -28.3148 -28.3148 -11.1973 -11.1973 -11.1380 -11.1380 -10.1276 -10.1276 -10.0396 -10.0396 -9.9932 -9.9932 -9.9512 -9.9512 -2.4576 -2.4576 -2.0676 -2.0676 3.8898 3.8898 4.6104 4.6104 4.9211 4.9211 5.2650 5.2650 5.6748 5.6748 5.8521 5.8521 8.0232 8.0232 8.9485 8.9485 9.0024 9.0024 10.2797 10.2797 k = 0.2500 0.1443-0.0000 ( 15723 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3273 -28.3273 -28.3145 -28.3145 -11.1984 -11.1984 -11.1404 -11.1404 -10.1281 -10.1281 -10.0444 -10.0444 -9.9964 -9.9964 -9.9514 -9.9514 -2.4342 -2.4342 -2.0700 -2.0700 3.9485 3.9485 4.5153 4.5153 4.8862 4.8862 5.2461 5.2461 5.6462 5.6462 5.8172 5.8172 8.0100 8.0100 8.9494 8.9494 8.9968 8.9968 10.3855 10.3855 k = 0.2619 0.1512-0.0000 ( 15733 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3270 -28.3270 -28.3142 -28.3142 -11.1995 -11.1995 -11.1427 -11.1427 -10.1287 -10.1287 -10.0491 -10.0491 -9.9994 -9.9994 -9.9515 -9.9515 -2.4110 -2.4110 -2.0719 -2.0719 4.0086 4.0086 4.4222 4.4222 4.8528 4.8528 5.2260 5.2260 5.6202 5.6202 5.7827 5.7827 7.9934 7.9934 8.8987 8.8987 9.0488 9.0488 10.4908 10.4908 k = 0.2738 0.1581-0.0000 ( 15717 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3267 -28.3267 -28.3139 -28.3139 -11.2006 -11.2006 -11.1451 -11.1451 -10.1292 -10.1292 -10.0538 -10.0538 -10.0024 -10.0024 -9.9517 -9.9517 -2.3884 -2.3884 -2.0731 -2.0731 4.0697 4.0697 4.3315 4.3315 4.8208 4.8208 5.2049 5.2049 5.5966 5.5966 5.7486 5.7486 7.9740 7.9740 8.8475 8.8475 9.1071 9.1071 10.5950 10.5950 k = 0.2857 0.1650-0.0000 ( 15701 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3264 -28.3264 -28.3136 -28.3136 -11.2017 -11.2017 -11.1474 -11.1474 -10.1299 -10.1299 -10.0585 -10.0585 -10.0053 -10.0053 -9.9518 -9.9518 -2.3666 -2.3666 -2.0734 -2.0734 4.1317 4.1317 4.2437 4.2437 4.7901 4.7901 5.1831 5.1831 5.5753 5.5753 5.7152 5.7152 7.9526 7.9526 8.7963 8.7963 9.1705 9.1705 10.6974 10.6974 k = 0.2976 0.1718-0.0000 ( 15707 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3262 -28.3262 -28.3133 -28.3133 -11.2028 -11.2028 -11.1498 -11.1498 -10.1306 -10.1306 -10.0630 -10.0630 -10.0081 -10.0081 -9.9520 -9.9520 -2.3459 -2.3459 -2.0727 -2.0727 4.1584 4.1584 4.1948 4.1948 4.7608 4.7608 5.1608 5.1608 5.5562 5.5562 5.6826 5.6826 7.9297 7.9297 8.7452 8.7452 9.2382 9.2382 10.7965 10.7965 k = 0.3095 0.1787-0.0000 ( 15705 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3259 -28.3259 -28.3131 -28.3131 -11.2039 -11.2039 -11.1520 -11.1520 -10.1313 -10.1313 -10.0673 -10.0673 -10.0107 -10.0107 -9.9521 -9.9521 -2.3266 -2.3266 -2.0708 -2.0708 4.0772 4.0772 4.2574 4.2574 4.7330 4.7330 5.1384 5.1384 5.5390 5.5390 5.6509 5.6509 7.9060 7.9060 8.6944 8.6944 9.3097 9.3097 10.8854 10.8854 k = 0.3214 0.1856-0.0000 ( 15709 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3256 -28.3256 -28.3128 -28.3128 -11.2050 -11.2050 -11.1542 -11.1542 -10.1320 -10.1320 -10.0716 -10.0716 -10.0132 -10.0132 -9.9522 -9.9522 -2.3091 -2.3091 -2.0675 -2.0675 3.9994 3.9994 4.3202 4.3202 4.7067 4.7067 5.1160 5.1160 5.5235 5.5235 5.6201 5.6201 7.8818 7.8818 8.6440 8.6440 9.3842 9.3842 10.9453 10.9453 k = 0.3333 0.1925-0.0000 ( 15707 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3253 -28.3253 -28.3125 -28.3125 -11.2060 -11.2060 -11.1564 -11.1564 -10.1327 -10.1327 -10.0756 -10.0756 -10.0156 -10.0156 -9.9523 -9.9523 -2.2936 -2.2936 -2.0626 -2.0626 3.9254 3.9254 4.3827 4.3827 4.6820 4.6820 5.0940 5.0940 5.5095 5.5095 5.5905 5.5905 7.8577 7.8577 8.5943 8.5943 9.4613 9.4613 10.9270 10.9270 k = 0.3452 0.1993-0.0000 ( 15711 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3251 -28.3251 -28.3123 -28.3123 -11.2070 -11.2070 -11.1584 -11.1584 -10.1335 -10.1335 -10.0795 -10.0795 -10.0178 -10.0178 -9.9524 -9.9524 -2.2803 -2.2803 -2.0561 -2.0561 3.8553 3.8553 4.4444 4.4444 4.6589 4.6589 5.0727 5.0727 5.4968 5.4968 5.5622 5.5622 7.8339 7.8339 8.5456 8.5456 9.5401 9.5401 10.9112 10.9112 k = 0.3571 0.2062-0.0000 ( 15707 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3248 -28.3248 -28.3120 -28.3120 -11.2080 -11.2080 -11.1604 -11.1604 -10.1343 -10.1343 -10.0831 -10.0831 -10.0198 -10.0198 -9.9525 -9.9525 -2.2693 -2.2693 -2.0482 -2.0482 3.7896 3.7896 4.5048 4.5048 4.6377 4.6377 5.0523 5.0523 5.4848 5.4848 5.5354 5.5354 7.8109 7.8109 8.4981 8.4981 9.6201 9.6201 10.9000 10.9000 k = 0.3690 0.2131-0.0000 ( 15713 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3246 -28.3246 -28.3118 -28.3118 -11.2089 -11.2089 -11.1623 -11.1623 -10.1350 -10.1350 -10.0865 -10.0865 -10.0216 -10.0216 -9.9526 -9.9526 -2.2604 -2.2604 -2.0389 -2.0389 3.7282 3.7282 4.5627 4.5627 4.6192 4.6192 5.0329 5.0329 5.4729 5.4729 5.5109 5.5109 7.7888 7.7888 8.4521 8.4521 9.7005 9.7005 10.8932 10.8932 k = 0.3810 0.2199-0.0000 ( 15701 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3244 -28.3244 -28.3116 -28.3116 -11.2098 -11.2098 -11.1640 -11.1640 -10.1358 -10.1358 -10.0897 -10.0897 -10.0233 -10.0233 -9.9526 -9.9526 -2.2534 -2.2534 -2.0287 -2.0287 3.6715 3.6715 4.5937 4.5937 4.6273 4.6273 5.0147 5.0147 5.4596 5.4596 5.4900 5.4900 7.7680 7.7680 8.4080 8.4080 9.7806 9.7806 10.8907 10.8907 k = 0.3929 0.2268-0.0000 ( 15691 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3242 -28.3242 -28.3114 -28.3114 -11.2106 -11.2106 -11.1656 -11.1656 -10.1365 -10.1365 -10.0926 -10.0926 -10.0249 -10.0249 -9.9527 -9.9527 -2.2482 -2.2482 -2.0180 -2.0180 3.6195 3.6195 4.5803 4.5803 4.6792 4.6792 4.9980 4.9980 5.4430 5.4430 5.4746 5.4746 7.7485 7.7485 8.3663 8.3663 9.8593 9.8593 10.8920 10.8920 k = 0.4048 0.2337-0.0000 ( 15691 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3240 -28.3240 -28.3112 -28.3112 -11.2114 -11.2114 -11.1671 -11.1671 -10.1372 -10.1372 -10.0952 -10.0952 -10.0262 -10.0262 -9.9528 -9.9528 -2.2443 -2.2443 -2.0072 -2.0072 3.5726 3.5726 4.5660 4.5660 4.7310 4.7310 4.9827 4.9827 5.4236 5.4236 5.4641 5.4641 7.7307 7.7307 8.3272 8.3272 9.9358 9.9358 10.8966 10.8966 k = 0.4167 0.2406-0.0000 ( 15703 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3239 -28.3239 -28.3111 -28.3111 -11.2120 -11.2120 -11.1684 -11.1684 -10.1378 -10.1378 -10.0975 -10.0975 -10.0274 -10.0274 -9.9528 -9.9528 -2.2415 -2.2415 -1.9967 -1.9967 3.5307 3.5307 4.5530 4.5530 4.7798 4.7798 4.9691 4.9691 5.4033 5.4033 5.4565 5.4565 7.7147 7.7147 8.2914 8.2914 10.0088 10.0088 10.9040 10.9040 k = 0.4286 0.2474-0.0000 ( 15715 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3237 -28.3237 -28.3109 -28.3109 -11.2126 -11.2126 -11.1696 -11.1696 -10.1384 -10.1384 -10.0996 -10.0996 -10.0284 -10.0284 -9.9528 -9.9528 -2.2395 -2.2395 -1.9868 -1.9868 3.4941 3.4941 4.5417 4.5417 4.8249 4.8249 4.9572 4.9572 5.3836 5.3836 5.4506 5.4506 7.7005 7.7005 8.2592 8.2592 10.0771 10.0771 10.9134 10.9134 k = 0.4405 0.2543-0.0000 ( 15703 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3236 -28.3236 -28.3108 -28.3108 -11.2131 -11.2131 -11.1705 -11.1705 -10.1389 -10.1389 -10.1013 -10.1013 -10.0293 -10.0293 -9.9529 -9.9529 -2.2382 -2.2382 -1.9780 -1.9780 3.4629 3.4629 4.5321 4.5321 4.8653 4.8653 4.9473 4.9473 5.3650 5.3650 5.4459 5.4459 7.6884 7.6884 8.2311 8.2311 10.1391 10.1391 10.9239 10.9239 k = 0.4524 0.2612-0.0000 ( 15709 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3235 -28.3235 -28.3107 -28.3107 -11.2135 -11.2135 -11.1714 -11.1714 -10.1394 -10.1394 -10.1027 -10.1027 -10.0300 -10.0300 -9.9529 -9.9529 -2.2373 -2.2373 -1.9705 -1.9705 3.4373 3.4373 4.5242 4.5242 4.8998 4.8998 4.9400 4.9400 5.3481 5.3481 5.4423 5.4423 7.6783 7.6783 8.2074 8.2074 10.1933 10.1933 10.9346 10.9346 k = 0.4643 0.2681-0.0000 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3234 -28.3234 -28.3107 -28.3107 -11.2139 -11.2139 -11.1720 -11.1720 -10.1397 -10.1397 -10.1039 -10.1039 -10.0305 -10.0305 -9.9529 -9.9529 -2.2367 -2.2367 -1.9644 -1.9644 3.4172 3.4172 4.5180 4.5180 4.9224 4.9224 4.9403 4.9403 5.3335 5.3335 5.4395 5.4395 7.6704 7.6704 8.1886 8.1886 10.2380 10.2380 10.9443 10.9443 k = 0.4762 0.2749-0.0000 ( 15720 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3234 -28.3234 -28.3106 -28.3106 -11.2141 -11.2141 -11.1725 -11.1725 -10.1400 -10.1400 -10.1047 -10.1047 -10.0309 -10.0309 -9.9529 -9.9529 -2.2363 -2.2363 -1.9599 -1.9599 3.4028 3.4028 4.5136 4.5136 4.9237 4.9237 4.9565 4.9565 5.3221 5.3221 5.4375 5.4375 7.6647 7.6647 8.1749 8.1749 10.2714 10.2714 10.9522 10.9522 k = 0.4881 0.2818-0.0000 ( 15724 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2143 -11.2143 -11.1728 -11.1728 -10.1401 -10.1401 -10.1051 -10.1051 -10.0311 -10.0311 -9.9529 -9.9529 -2.2362 -2.2362 -1.9572 -1.9572 3.3941 3.3941 4.5110 4.5110 4.9218 4.9218 4.9696 4.9696 5.3146 5.3146 5.4363 5.4363 7.6613 7.6613 8.1666 8.1666 10.2922 10.2922 10.9573 10.9573 k = 0.5000 0.2887-0.0000 ( 15746 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2143 -11.2143 -11.1729 -11.1729 -10.1402 -10.1402 -10.1053 -10.1053 -10.0312 -10.0312 -9.9529 -9.9529 -2.2361 -2.2361 -1.9563 -1.9563 3.3912 3.3912 4.5101 4.5101 4.9210 4.9210 4.9742 4.9742 5.3120 5.3120 5.4359 5.4359 7.6601 7.6601 8.1638 8.1638 10.2992 10.2992 10.9591 10.9591 k = 0.5000 0.2887-0.0000 ( 15746 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2143 -11.2143 -11.1729 -11.1729 -10.1402 -10.1402 -10.1053 -10.1053 -10.0312 -10.0312 -9.9529 -9.9529 -2.2361 -2.2361 -1.9563 -1.9563 3.3912 3.3912 4.5101 4.5101 4.9210 4.9210 4.9742 4.9742 5.3120 5.3120 5.4359 5.4359 7.6601 7.6601 8.1638 8.1638 10.2992 10.2992 10.9591 10.9591 k = 0.4931 0.3007-0.0000 ( 15738 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2143 -11.2143 -11.1729 -11.1729 -10.1401 -10.1401 -10.1053 -10.1053 -10.0313 -10.0313 -9.9530 -9.9530 -2.2356 -2.2356 -1.9565 -1.9565 3.3920 3.3920 4.5095 4.5095 4.9210 4.9210 4.9753 4.9753 5.3117 5.3117 5.4300 5.4300 7.6678 7.6678 8.1657 8.1657 10.2999 10.2999 10.9178 10.9178 k = 0.4861 0.3127-0.0000 ( 15724 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3105 -28.3105 -11.2143 -11.2143 -11.1729 -11.1729 -10.1399 -10.1399 -10.1054 -10.1054 -10.0316 -10.0316 -9.9532 -9.9532 -2.2340 -2.2340 -1.9572 -1.9572 3.3944 3.3944 4.5076 4.5076 4.9207 4.9207 4.9785 4.9785 5.3108 5.3108 5.4127 5.4127 7.6906 7.6906 8.1713 8.1713 10.3020 10.3020 10.8299 10.8299 k = 0.4792 0.3248-0.0000 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3105 -28.3105 -11.2144 -11.2144 -11.1730 -11.1730 -10.1396 -10.1396 -10.1055 -10.1055 -10.0322 -10.0322 -9.9535 -9.9535 -2.2314 -2.2314 -1.9585 -1.9585 3.3984 3.3984 4.5045 4.5045 4.9203 4.9203 4.9837 4.9837 5.3089 5.3089 5.3849 5.3849 7.7278 7.7278 8.1806 8.1806 10.3051 10.3051 10.7283 10.7283 k = 0.4722 0.3368-0.0000 ( 15718 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3105 -28.3105 -11.2144 -11.2144 -11.1731 -11.1731 -10.1392 -10.1392 -10.1056 -10.1056 -10.0330 -10.0330 -9.9540 -9.9540 -2.2277 -2.2277 -1.9602 -1.9602 3.4039 3.4039 4.5002 4.5002 4.9196 4.9196 4.9912 4.9912 5.3049 5.3049 5.3492 5.3492 7.7782 7.7782 8.1936 8.1936 10.3086 10.3086 10.6234 10.6234 k = 0.4653 0.3488-0.0000 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3232 -28.3232 -28.3105 -28.3105 -11.2145 -11.2145 -11.1733 -11.1733 -10.1387 -10.1387 -10.1058 -10.1058 -10.0339 -10.0339 -9.9545 -9.9545 -2.2231 -2.2231 -1.9623 -1.9623 3.4110 3.4110 4.4949 4.4949 4.9185 4.9185 5.0006 5.0006 5.2873 5.2873 5.3184 5.3184 7.8403 7.8403 8.2103 8.2103 10.3115 10.3115 10.5190 10.5190 k = 0.4583 0.3608-0.0000 ( 15712 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3232 -28.3232 -28.3104 -28.3104 -11.2146 -11.2146 -11.1735 -11.1735 -10.1381 -10.1381 -10.1060 -10.1060 -10.0351 -10.0351 -9.9551 -9.9551 -2.2176 -2.2176 -1.9649 -1.9649 3.4195 3.4195 4.4887 4.4887 4.9172 4.9172 5.0121 5.0121 5.2408 5.2408 5.3095 5.3095 7.9129 7.9129 8.2306 8.2306 10.3112 10.3112 10.4181 10.4181 k = 0.4514 0.3729-0.0000 ( 15718 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3231 -28.3231 -28.3104 -28.3104 -11.2147 -11.2147 -11.1737 -11.1737 -10.1374 -10.1374 -10.1063 -10.1063 -10.0364 -10.0364 -9.9559 -9.9559 -2.2112 -2.2112 -1.9680 -1.9680 3.4293 3.4293 4.4816 4.4816 4.9155 4.9155 5.0254 5.0254 5.1838 5.1838 5.3055 5.3055 7.9944 7.9944 8.2545 8.2545 10.2885 10.2885 10.3397 10.3397 k = 0.4444 0.3849-0.0000 ( 15718 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3231 -28.3231 -28.3103 -28.3103 -11.2148 -11.2148 -11.1740 -11.1740 -10.1365 -10.1365 -10.1066 -10.1066 -10.0379 -10.0379 -9.9567 -9.9567 -2.2039 -2.2039 -1.9714 -1.9714 3.4405 3.4405 4.4739 4.4739 4.9134 4.9134 5.0403 5.0403 5.1220 5.1220 5.3022 5.3022 8.0837 8.0837 8.2821 8.2821 10.2043 10.2043 10.3224 10.3224 k = 0.4375 0.3969-0.0000 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3230 -28.3230 -28.3103 -28.3103 -11.2149 -11.2149 -11.1743 -11.1743 -10.1356 -10.1356 -10.1070 -10.1070 -10.0396 -10.0396 -9.9575 -9.9575 -2.1959 -2.1959 -1.9752 -1.9752 3.4528 3.4528 4.4656 4.4656 4.9111 4.9111 5.0562 5.0562 5.0579 5.0579 5.2989 5.2989 8.1795 8.1795 8.3131 8.3131 10.1097 10.1097 10.3143 10.3143 k = 0.4306 0.4090-0.0000 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3230 -28.3230 -28.3102 -28.3102 -11.2150 -11.2150 -11.1746 -11.1746 -10.1347 -10.1347 -10.1074 -10.1074 -10.0413 -10.0413 -9.9584 -9.9584 -2.1873 -2.1873 -1.9794 -1.9794 3.4661 3.4661 4.4570 4.4570 4.9084 4.9084 4.9912 4.9912 5.0744 5.0744 5.2956 5.2956 8.2810 8.2810 8.3475 8.3475 10.0164 10.0164 10.3034 10.3034 k = 0.4236 0.4210-0.0000 ( 15718 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3229 -28.3229 -28.3102 -28.3102 -11.2151 -11.2151 -11.1749 -11.1749 -10.1336 -10.1336 -10.1078 -10.1078 -10.0432 -10.0432 -9.9593 -9.9593 -2.1781 -2.1781 -1.9839 -1.9839 3.4804 3.4804 4.4482 4.4482 4.9051 4.9051 4.9250 4.9250 5.0929 5.0929 5.2923 5.2923 8.3843 8.3843 8.3880 8.3880 9.9256 9.9256 10.2882 10.2882 k = 0.4167 0.4330-0.0000 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3228 -28.3228 -28.3101 -28.3101 -11.2153 -11.2153 -11.1752 -11.1752 -10.1325 -10.1325 -10.1083 -10.1083 -10.0451 -10.0451 -9.9602 -9.9602 -2.1684 -2.1684 -1.9887 -1.9887 3.4954 3.4954 4.4393 4.4393 4.8581 4.8581 4.9029 4.9029 5.1121 5.1121 5.2890 5.2890 8.4259 8.4259 8.4975 8.4975 9.8377 9.8377 10.2684 10.2684 k = 0.4097 0.4450-0.0000 ( 15702 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3228 -28.3228 -28.3100 -28.3100 -11.2154 -11.2154 -11.1756 -11.1756 -10.1314 -10.1314 -10.1088 -10.1088 -10.0470 -10.0470 -9.9611 -9.9611 -2.1583 -2.1583 -1.9938 -1.9938 3.5108 3.5108 4.4305 4.4305 4.7935 4.7935 4.8996 4.8996 5.1317 5.1317 5.2859 5.2859 8.4698 8.4698 8.6111 8.6111 9.7529 9.7529 10.2442 10.2442 k = 0.4028 0.4571-0.0000 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3227 -28.3227 -28.3100 -28.3100 -11.2156 -11.2156 -11.1759 -11.1759 -10.1303 -10.1303 -10.1094 -10.1094 -10.0489 -10.0489 -9.9620 -9.9620 -2.1480 -2.1480 -1.9991 -1.9991 3.5265 3.5265 4.4220 4.4220 4.7310 4.7310 4.8963 4.8963 5.1512 5.1512 5.2829 5.2829 8.5163 8.5163 8.7277 8.7277 9.6712 9.6712 10.2162 10.2162 k = 0.3958 0.4691-0.0000 ( 15690 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3227 -28.3227 -28.3099 -28.3099 -11.2157 -11.2157 -11.1763 -11.1763 -10.1292 -10.1292 -10.1099 -10.1099 -10.0509 -10.0509 -9.9628 -9.9628 -2.1375 -2.1375 -2.0046 -2.0046 3.5421 3.5421 4.4139 4.4139 4.6714 4.6714 4.8930 4.8930 5.1703 5.1703 5.2803 5.2803 8.5654 8.5654 8.8467 8.8467 9.5927 9.5927 10.1851 10.1851 k = 0.3889 0.4811-0.0000 ( 15686 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3226 -28.3226 -28.3099 -28.3099 -11.2159 -11.2159 -11.1766 -11.1766 -10.1281 -10.1281 -10.1105 -10.1105 -10.0527 -10.0527 -9.9635 -9.9635 -2.1271 -2.1271 -2.0102 -2.0102 3.5574 3.5574 4.4063 4.4063 4.6156 4.6156 4.8897 4.8897 5.1885 5.1885 5.2782 5.2782 8.6166 8.6166 8.9676 8.9676 9.5176 9.5176 10.1516 10.1516 k = 0.3819 0.4932-0.0000 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3225 -28.3225 -28.3098 -28.3098 -11.2160 -11.2160 -11.1770 -11.1770 -10.1270 -10.1270 -10.1111 -10.1111 -10.0544 -10.0544 -9.9642 -9.9642 -2.1168 -2.1168 -2.0159 -2.0159 3.5718 3.5718 4.3994 4.3994 4.5642 4.5642 4.8864 4.8864 5.2053 5.2053 5.2768 5.2768 8.6694 8.6694 9.0901 9.0901 9.4459 9.4459 10.1165 10.1165 k = 0.3750 0.5052-0.0000 ( 15700 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3225 -28.3225 -28.3097 -28.3097 -11.2161 -11.2161 -11.1773 -11.1773 -10.1260 -10.1260 -10.1116 -10.1116 -10.0560 -10.0560 -9.9648 -9.9648 -2.1067 -2.1067 -2.0216 -2.0216 3.5851 3.5851 4.3933 4.3933 4.5180 4.5180 4.8834 4.8834 5.2202 5.2202 5.2763 5.2763 8.7235 8.7235 9.2133 9.2133 9.3778 9.3778 10.0804 10.0804 k = 0.3681 0.5172-0.0000 ( 15696 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3097 -28.3097 -11.2163 -11.2163 -11.1776 -11.1776 -10.1251 -10.1251 -10.1122 -10.1122 -10.0575 -10.0575 -9.9654 -9.9654 -2.0971 -2.0971 -2.0273 -2.0273 3.5969 3.5969 4.3881 4.3881 4.4777 4.4777 4.8806 4.8806 5.2323 5.2323 5.2773 5.2773 8.7783 8.7783 9.3080 9.3080 9.3422 9.3422 10.0440 10.0440 k = 0.3611 0.5292-0.0000 ( 15680 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3097 -28.3097 -11.2164 -11.2164 -11.1778 -11.1778 -10.1243 -10.1243 -10.1127 -10.1127 -10.0587 -10.0587 -9.9658 -9.9658 -2.0881 -2.0881 -2.0329 -2.0329 3.6067 3.6067 4.3839 4.3839 4.4439 4.4439 4.8781 4.8781 5.2412 5.2412 5.2797 5.2797 8.8330 8.8330 9.2498 9.2498 9.4624 9.4624 10.0077 10.0077 k = 0.3542 0.5413-0.0000 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3096 -28.3096 -11.2165 -11.2165 -11.1780 -11.1780 -10.1237 -10.1237 -10.1131 -10.1131 -10.0597 -10.0597 -9.9661 -9.9661 -2.0799 -2.0799 -2.0383 -2.0383 3.6142 3.6142 4.3806 4.3806 4.4172 4.4172 4.8760 4.8760 5.2470 5.2470 5.2833 5.2833 8.8868 8.8868 9.1920 9.1920 9.5841 9.5841 9.9721 9.9721 k = 0.3472 0.5533-0.0000 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1782 -11.1782 -10.1232 -10.1232 -10.1134 -10.1134 -10.0604 -10.0604 -9.9664 -9.9664 -2.0730 -2.0730 -2.0431 -2.0431 3.6194 3.6194 4.3782 4.3782 4.3981 4.3981 4.8743 4.8743 5.2506 5.2506 5.2868 5.2868 8.9391 8.9391 9.1376 9.1376 9.7010 9.7010 9.9375 9.9375 k = 0.3403 0.5653-0.0000 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1783 -11.1783 -10.1229 -10.1229 -10.1137 -10.1137 -10.0609 -10.0609 -9.9665 -9.9665 -2.0679 -2.0679 -2.0469 -2.0469 3.6223 3.6223 4.3762 4.3762 4.3874 4.3874 4.8733 4.8733 5.2526 5.2526 5.2891 5.2891 8.9886 8.9886 9.0871 9.0871 9.8042 9.8042 9.9047 9.9047 k = 0.3333 0.5774-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1783 -11.1783 -10.1228 -10.1228 -10.1137 -10.1137 -10.0610 -10.0610 -9.9665 -9.9665 -2.0660 -2.0660 -2.0483 -2.0483 3.6231 3.6231 4.3749 4.3749 4.3845 4.3845 4.8729 4.8729 5.2534 5.2534 5.2899 5.2899 9.0252 9.0252 9.0502 9.0502 9.8590 9.8590 9.8834 9.8834 k = 0.3333 0.5774-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1783 -11.1783 -10.1228 -10.1228 -10.1137 -10.1137 -10.0610 -10.0610 -9.9665 -9.9665 -2.0660 -2.0660 -2.0483 -2.0483 3.6231 3.6231 4.3749 4.3749 4.3845 4.3845 4.8729 4.8729 5.2534 5.2534 5.2899 5.2899 9.0252 9.0252 9.0502 9.0502 9.8590 9.8590 9.8834 9.8834 k = 0.3264 0.5653-0.0000 ( 15709 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1783 -11.1783 -10.1229 -10.1229 -10.1136 -10.1136 -10.0609 -10.0609 -9.9665 -9.9665 -2.0675 -2.0675 -2.0472 -2.0472 3.6225 3.6225 4.3769 4.3769 4.3865 4.3865 4.8733 4.8733 5.2522 5.2522 5.2895 5.2895 8.9917 8.9917 9.0840 9.0840 9.8357 9.8357 9.8676 9.8676 k = 0.3194 0.5533-0.0000 ( 15709 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2165 -11.2165 -11.1782 -11.1782 -10.1232 -10.1232 -10.1134 -10.1134 -10.0604 -10.0604 -9.9664 -9.9664 -2.0710 -2.0710 -2.0453 -2.0453 3.6210 3.6210 4.3823 4.3823 4.3929 4.3929 4.8746 4.8746 5.2474 5.2474 5.2894 5.2894 8.9517 8.9517 9.1246 9.1246 9.7958 9.7958 9.8184 9.8184 k = 0.3125 0.5413-0.0000 ( 15693 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3096 -28.3096 -11.2164 -11.2164 -11.1780 -11.1780 -10.1236 -10.1236 -10.1130 -10.1130 -10.0597 -10.0597 -9.9661 -9.9661 -2.0750 -2.0750 -2.0439 -2.0439 3.6194 3.6194 4.3888 4.3888 4.4051 4.4051 4.8769 4.8769 5.2373 5.2373 5.2911 5.2911 8.9146 8.9146 9.1632 9.1632 9.7235 9.7235 9.7861 9.7861 k = 0.3056 0.5292-0.0000 ( 15669 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3097 -28.3097 -11.2163 -11.2163 -11.1776 -11.1776 -10.1241 -10.1241 -10.1124 -10.1124 -10.0587 -10.0587 -9.9659 -9.9659 -2.0791 -2.0791 -2.0436 -2.0436 3.6186 3.6186 4.3959 4.3959 4.4231 4.4231 4.8802 4.8802 5.2214 5.2214 5.2953 5.2953 8.8809 8.8809 9.2000 9.2000 9.6414 9.6414 9.7601 9.7601 k = 0.2986 0.5172-0.0000 ( 15665 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3225 -28.3225 -28.3097 -28.3097 -11.2161 -11.2161 -11.1772 -11.1772 -10.1246 -10.1246 -10.1116 -10.1116 -10.0575 -10.0575 -9.9655 -9.9655 -2.0831 -2.0831 -2.0447 -2.0447 3.6192 3.6192 4.4041 4.4041 4.4457 4.4457 4.8848 4.8848 5.1998 5.1998 5.3015 5.3015 8.8506 8.8506 9.2358 9.2358 9.5575 9.5575 9.7366 9.7366 k = 0.2917 0.5052-0.0000 ( 15675 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3225 -28.3225 -28.3098 -28.3098 -11.2158 -11.2158 -11.1767 -11.1767 -10.1252 -10.1252 -10.1107 -10.1107 -10.0561 -10.0561 -9.9651 -9.9651 -2.0868 -2.0868 -2.0472 -2.0472 3.6219 3.6219 4.4135 4.4135 4.4720 4.4720 4.8906 4.8906 5.1731 5.1731 5.3096 5.3096 8.8238 8.8238 9.2716 9.2716 9.4738 9.4738 9.7153 9.7153 k = 0.2847 0.4932-0.0000 ( 15677 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3226 -28.3226 -28.3099 -28.3099 -11.2155 -11.2155 -11.1761 -11.1761 -10.1259 -10.1259 -10.1096 -10.1096 -10.0544 -10.0544 -9.9646 -9.9646 -2.0902 -2.0902 -2.0513 -2.0513 3.6273 3.6273 4.4243 4.4243 4.5012 4.5012 4.8978 4.8978 5.1414 5.1414 5.3193 5.3193 8.8004 8.8004 9.3077 9.3077 9.3918 9.3918 9.6959 9.6959 k = 0.2778 0.4811-0.0000 ( 15689 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3227 -28.3227 -28.3100 -28.3100 -11.2152 -11.2152 -11.1753 -11.1753 -10.1265 -10.1265 -10.1082 -10.1082 -10.0526 -10.0526 -9.9641 -9.9641 -2.0933 -2.0933 -2.0570 -2.0570 3.6359 3.6359 4.4364 4.4364 4.5330 4.5330 4.9065 4.9065 5.1052 5.1052 5.3306 5.3306 8.7804 8.7804 9.3051 9.3051 9.3519 9.3519 9.6785 9.6785 k = 0.2708 0.4691-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3229 -28.3229 -28.3101 -28.3101 -11.2147 -11.2147 -11.1745 -11.1745 -10.1270 -10.1270 -10.1067 -10.1067 -10.0506 -10.0506 -9.9635 -9.9635 -2.0962 -2.0962 -2.0643 -2.0643 3.6480 3.6480 4.4498 4.4498 4.5667 4.5667 4.9165 4.9165 5.0649 5.0649 5.3434 5.3434 8.7639 8.7639 9.2277 9.2277 9.3913 9.3913 9.6630 9.6630 k = 0.2639 0.4571-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3230 -28.3230 -28.3102 -28.3102 -11.2143 -11.2143 -11.1735 -11.1735 -10.1276 -10.1276 -10.1050 -10.1050 -10.0485 -10.0485 -9.9629 -9.9629 -2.0988 -2.0988 -2.0731 -2.0731 3.6641 3.6641 4.4645 4.4645 4.6020 4.6020 4.9275 4.9275 5.0215 5.0215 5.3577 5.3577 8.7508 8.7508 9.1503 9.1503 9.4360 9.4360 9.6494 9.6494 k = 0.2569 0.4450-0.0000 ( 15707 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3231 -28.3231 -28.3104 -28.3104 -11.2137 -11.2137 -11.1724 -11.1724 -10.1280 -10.1280 -10.1030 -10.1030 -10.0462 -10.0462 -9.9623 -9.9623 -2.1016 -2.1016 -2.0830 -2.0830 3.6842 3.6842 4.4805 4.4805 4.6385 4.6385 4.9351 4.9351 4.9795 4.9795 5.3735 5.3735 8.7410 8.7410 9.0749 9.0749 9.4846 9.4846 9.6375 9.6375 k = 0.2500 0.4330-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2131 -11.2131 -11.1711 -11.1711 -10.1284 -10.1284 -10.1008 -10.1008 -10.0439 -10.0439 -9.9617 -9.9617 -2.1060 -2.1060 -2.0925 -2.0925 3.7086 3.7086 4.4977 4.4977 4.6759 4.6759 4.9096 4.9096 4.9693 4.9693 5.3908 5.3908 8.7346 8.7346 9.0017 9.0017 9.5370 9.5370 9.6275 9.6275 k = 0.2431 0.4210-0.0000 ( 15695 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3235 -28.3235 -28.3107 -28.3107 -11.2124 -11.2124 -11.1698 -11.1698 -10.1288 -10.1288 -10.0984 -10.0984 -10.0414 -10.0414 -9.9610 -9.9610 -2.1156 -2.1156 -2.0980 -2.0980 3.7374 3.7374 4.5160 4.5160 4.7139 4.7139 4.8585 4.8585 4.9839 4.9839 5.4096 5.4096 8.7315 8.7315 8.9310 8.9310 9.5919 9.5919 9.6206 9.6206 k = 0.2361 0.4090-0.0000 ( 15683 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3237 -28.3237 -28.3109 -28.3109 -11.2117 -11.2117 -11.1683 -11.1683 -10.1291 -10.1291 -10.0958 -10.0958 -10.0388 -10.0388 -9.9604 -9.9604 -2.1297 -2.1297 -2.1000 -2.1000 3.7706 3.7706 4.5355 4.5355 4.7515 4.7515 4.8027 4.8027 5.0035 5.0035 5.4299 5.4299 8.7318 8.7318 8.8628 8.8628 9.6089 9.6089 9.6569 9.6569 k = 0.2292 0.3969-0.0000 ( 15683 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3239 -28.3239 -28.3111 -28.3111 -11.2109 -11.2109 -11.1667 -11.1667 -10.1293 -10.1293 -10.0929 -10.0929 -10.0361 -10.0361 -9.9597 -9.9597 -2.1462 -2.1462 -2.1007 -2.1007 3.8084 3.8084 4.5560 4.5560 4.7402 4.7402 4.7931 4.7931 5.0260 5.0260 5.4516 5.4516 8.7352 8.7352 8.7972 8.7972 9.6035 9.6035 9.7210 9.7210 k = 0.2222 0.3849-0.0000 ( 15689 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3241 -28.3241 -28.3114 -28.3114 -11.2101 -11.2101 -11.1649 -11.1649 -10.1294 -10.1294 -10.0899 -10.0899 -10.0333 -10.0333 -9.9590 -9.9590 -2.1644 -2.1644 -2.1007 -2.1007 3.8507 3.8507 4.5774 4.5774 4.6795 4.6795 4.8309 4.8309 5.0509 5.0509 5.4748 5.4748 8.7343 8.7343 8.7420 8.7420 9.5984 9.5984 9.7897 9.7897 k = 0.2153 0.3729-0.0000 ( 15693 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3244 -28.3244 -28.3116 -28.3116 -11.2092 -11.2092 -11.1631 -11.1631 -10.1294 -10.1294 -10.0866 -10.0866 -10.0305 -10.0305 -9.9584 -9.9584 -2.1840 -2.1840 -2.1001 -2.1001 3.8975 3.8975 4.5978 4.5978 4.6184 4.6184 4.8691 4.8691 5.0784 5.0784 5.4994 5.4994 8.6744 8.6744 8.7517 8.7517 9.5939 9.5939 9.8623 9.8623 k = 0.2083 0.3608-0.0000 ( 15693 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3246 -28.3246 -28.3118 -28.3118 -11.2082 -11.2082 -11.1612 -11.1612 -10.1294 -10.1294 -10.0831 -10.0831 -10.0275 -10.0275 -9.9578 -9.9578 -2.2048 -2.2048 -2.0991 -2.0991 3.9487 3.9487 4.5503 4.5503 4.6247 4.6247 4.9070 4.9070 5.1082 5.1082 5.5253 5.5253 8.6173 8.6173 8.7646 8.7646 9.5898 9.5898 9.9385 9.9385 k = 0.2014 0.3488-0.0000 ( 15689 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3249 -28.3249 -28.3121 -28.3121 -11.2072 -11.2072 -11.1592 -11.1592 -10.1293 -10.1293 -10.0794 -10.0794 -10.0245 -10.0245 -9.9571 -9.9571 -2.2266 -2.2266 -2.0977 -2.0977 4.0043 4.0043 4.4851 4.4851 4.6489 4.6489 4.9443 4.9443 5.1404 5.1404 5.5526 5.5526 8.5630 8.5630 8.7805 8.7805 9.5858 9.5858 10.0180 10.0180 k = 0.1944 0.3368-0.0000 ( 15691 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3252 -28.3252 -28.3124 -28.3124 -11.2062 -11.2062 -11.1571 -11.1571 -10.1292 -10.1292 -10.0755 -10.0755 -10.0214 -10.0214 -9.9565 -9.9565 -2.2494 -2.2494 -2.0959 -2.0959 4.0641 4.0641 4.4190 4.4190 4.6744 4.6744 4.9808 4.9808 5.1749 5.1749 5.5811 5.5811 8.5115 8.5115 8.7994 8.7994 9.5817 9.5817 10.0283 10.0283 k = 0.1875 0.3248-0.0000 ( 15699 PWs) bands (ev): -39.1314 -39.1314 -39.1313 -39.1313 -28.3254 -28.3254 -28.3126 -28.3126 -11.2052 -11.2052 -11.1549 -11.1549 -10.1290 -10.1290 -10.0715 -10.0715 -10.0183 -10.0183 -9.9559 -9.9559 -2.2730 -2.2730 -2.0937 -2.0937 4.1280 4.1280 4.3526 4.3526 4.7008 4.7008 5.0164 5.0164 5.2117 5.2117 5.6108 5.6108 8.4629 8.4629 8.8211 8.8211 9.5771 9.5771 9.9384 9.9384 k = 0.1806 0.3127-0.0000 ( 15703 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3257 -28.3257 -28.3129 -28.3129 -11.2041 -11.2041 -11.1526 -11.1526 -10.1288 -10.1288 -10.0673 -10.0673 -10.0150 -10.0150 -9.9554 -9.9554 -2.2973 -2.2973 -2.0913 -2.0913 4.1959 4.1959 4.2863 4.2863 4.7281 4.7281 5.0509 5.0509 5.2506 5.2506 5.6417 5.6417 8.4171 8.4171 8.8457 8.8457 9.5715 9.5715 9.8500 9.8500 k = 0.1736 0.3007-0.0000 ( 15705 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3260 -28.3260 -28.3132 -28.3132 -11.2030 -11.2030 -11.1503 -11.1503 -10.1286 -10.1286 -10.0630 -10.0630 -10.0118 -10.0118 -9.9548 -9.9548 -2.3220 -2.3220 -2.0886 -2.0886 4.2202 4.2202 4.2678 4.2678 4.7564 4.7564 5.0841 5.0841 5.2916 5.2916 5.6735 5.6735 8.3741 8.3741 8.8729 8.8729 9.5646 9.5646 9.7639 9.7639 k = 0.1667 0.2887-0.0000 ( 15707 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3263 -28.3263 -28.3135 -28.3135 -11.2019 -11.2019 -11.1480 -11.1480 -10.1283 -10.1283 -10.0585 -10.0585 -10.0084 -10.0084 -9.9543 -9.9543 -2.3471 -2.3471 -2.0856 -2.0856 4.1549 4.1549 4.3433 4.3433 4.7855 4.7855 5.1159 5.1159 5.3346 5.3346 5.7063 5.7063 8.3336 8.3336 8.9026 8.9026 9.5559 9.5559 9.6804 9.6804 k = 0.1597 0.2766-0.0000 ( 15703 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3266 -28.3266 -28.3138 -28.3138 -11.2008 -11.2008 -11.1456 -11.1456 -10.1280 -10.1280 -10.0540 -10.0540 -10.0051 -10.0051 -9.9538 -9.9538 -2.3725 -2.3725 -2.0823 -2.0823 4.0904 4.0904 4.4224 4.4224 4.8156 4.8156 5.1462 5.1462 5.3795 5.3795 5.7398 5.7398 8.2956 8.2956 8.9349 8.9349 9.5449 9.5449 9.6002 9.6002 k = 0.1528 0.2646-0.0000 ( 15713 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3269 -28.3269 -28.3141 -28.3141 -11.1997 -11.1997 -11.1433 -11.1433 -10.1277 -10.1277 -10.0494 -10.0494 -10.0017 -10.0017 -9.9533 -9.9533 -2.3979 -2.3979 -2.0789 -2.0789 4.0270 4.0270 4.5048 4.5048 4.8464 4.8464 5.1750 5.1750 5.4260 5.4260 5.7741 5.7741 8.2600 8.2600 8.9694 8.9694 9.5222 9.5222 9.5325 9.5325 k = 0.1458 0.2526-0.0000 ( 15707 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3273 -28.3273 -28.3144 -28.3144 -11.1986 -11.1986 -11.1409 -11.1409 -10.1273 -10.1273 -10.0447 -10.0447 -9.9982 -9.9982 -9.9529 -9.9529 -2.4233 -2.4233 -2.0754 -2.0754 3.9649 3.9649 4.5903 4.5903 4.8780 4.8780 5.2021 5.2021 5.4741 5.4741 5.8089 5.8089 8.2265 8.2265 9.0060 9.0060 9.4503 9.4503 9.5149 9.5149 k = 0.1389 0.2406-0.0000 ( 15709 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3276 -28.3276 -28.3147 -28.3147 -11.1975 -11.1975 -11.1385 -11.1385 -10.1270 -10.1270 -10.0399 -10.0399 -9.9948 -9.9948 -9.9524 -9.9524 -2.4486 -2.4486 -2.0717 -2.0717 3.9044 3.9044 4.6788 4.6788 4.9103 4.9103 5.2274 5.2274 5.5235 5.5235 5.8441 5.8441 8.1949 8.1949 9.0446 9.0446 9.3821 9.3821 9.4946 9.4946 k = 0.1319 0.2285-0.0000 ( 15707 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3279 -28.3279 -28.3150 -28.3150 -11.1965 -11.1965 -11.1361 -11.1361 -10.1267 -10.1267 -10.0352 -10.0352 -9.9914 -9.9914 -9.9520 -9.9520 -2.4735 -2.4735 -2.0679 -2.0679 3.8457 3.8457 4.7699 4.7699 4.9432 4.9432 5.2511 5.2511 5.5741 5.5741 5.8795 5.8795 8.1649 8.1649 9.0850 9.0850 9.3185 9.3185 9.4707 9.4707 k = 0.1250 0.2165-0.0000 ( 15731 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3282 -28.3282 -28.3153 -28.3153 -11.1954 -11.1954 -11.1338 -11.1338 -10.1264 -10.1264 -10.0305 -10.0305 -9.9880 -9.9880 -9.9516 -9.9516 -2.4979 -2.4979 -2.0640 -2.0640 3.7888 3.7888 4.8633 4.8633 4.9766 4.9766 5.2731 5.2731 5.6255 5.6255 5.9151 5.9151 8.1364 8.1364 9.1268 9.1268 9.2600 9.2600 9.4429 9.4429 k = 0.1181 0.2045-0.0000 ( 15739 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3285 -28.3285 -28.3156 -28.3156 -11.1944 -11.1944 -11.1315 -11.1315 -10.1260 -10.1260 -10.0259 -10.0259 -9.9846 -9.9846 -9.9512 -9.9512 -2.5218 -2.5218 -2.0602 -2.0602 3.7341 3.7341 4.9587 4.9587 5.0105 5.0105 5.2935 5.2935 5.6777 5.6777 5.9505 5.9505 8.1090 8.1090 9.1693 9.1693 9.2073 9.2073 9.4113 9.4113 k = 0.1111 0.1925-0.0000 ( 15747 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3288 -28.3288 -28.3159 -28.3159 -11.1934 -11.1934 -11.1293 -11.1293 -10.1257 -10.1257 -10.0213 -10.0213 -9.9813 -9.9813 -9.9509 -9.9509 -2.5451 -2.5451 -2.0563 -2.0563 3.6816 3.6816 5.0437 5.0437 5.0563 5.0563 5.3126 5.3126 5.7302 5.7302 5.9856 5.9856 8.0826 8.0826 9.1576 9.1576 9.2152 9.2152 9.3760 9.3760 k = 0.1042 0.1804-0.0000 ( 15749 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3290 -28.3290 -28.3161 -28.3161 -11.1925 -11.1925 -11.1272 -11.1272 -10.1254 -10.1254 -10.0168 -10.0168 -9.9780 -9.9780 -9.9505 -9.9505 -2.5675 -2.5675 -2.0526 -2.0526 3.6316 3.6316 5.0782 5.0782 5.1530 5.1530 5.3311 5.3311 5.7828 5.7828 6.0203 6.0203 8.0570 8.0570 9.1153 9.1153 9.2597 9.2597 9.3374 9.3374 k = 0.0972 0.1684-0.0000 ( 15737 PWs) bands (ev): -39.1315 -39.1315 -39.1314 -39.1314 -28.3293 -28.3293 -28.3164 -28.3164 -11.1916 -11.1916 -11.1251 -11.1251 -10.1252 -10.1252 -10.0125 -10.0125 -9.9749 -9.9749 -9.9502 -9.9502 -2.5890 -2.5890 -2.0488 -2.0488 3.5841 3.5841 5.1121 5.1121 5.2473 5.2473 5.3519 5.3519 5.8353 5.8353 6.0542 6.0542 8.0321 8.0321 9.0780 9.0780 9.2959 9.2959 9.3050 9.3050 k = 0.0903 0.1564-0.0000 ( 15733 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3296 -28.3296 -28.3167 -28.3167 -11.1907 -11.1907 -11.1232 -11.1232 -10.1249 -10.1249 -10.0084 -10.0084 -9.9718 -9.9718 -9.9499 -9.9499 -2.6095 -2.6095 -2.0452 -2.0452 3.5393 3.5393 5.1456 5.1456 5.3212 5.3212 5.3921 5.3921 5.8871 5.8871 6.0873 6.0873 8.0078 8.0078 9.0458 9.0458 9.2524 9.2524 9.3500 9.3500 k = 0.0833 0.1443-0.0000 ( 15739 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3298 -28.3298 -28.3169 -28.3169 -11.1899 -11.1899 -11.1213 -11.1213 -10.1247 -10.1247 -10.0044 -10.0044 -9.9689 -9.9689 -9.9495 -9.9495 -2.6288 -2.6288 -2.0417 -2.0417 3.4973 3.4973 5.1784 5.1784 5.3517 5.3517 5.4745 5.4745 5.9380 5.9380 6.1192 6.1192 7.9841 7.9841 9.0185 9.0185 9.2073 9.2073 9.3947 9.3947 k = 0.0764 0.1323-0.0000 ( 15733 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3300 -28.3300 -28.3171 -28.3171 -11.1892 -11.1892 -11.1196 -11.1196 -10.1244 -10.1244 -10.0007 -10.0007 -9.9662 -9.9662 -9.9492 -9.9492 -2.6470 -2.6470 -2.0384 -2.0384 3.4583 3.4583 5.2103 5.2103 5.3664 5.3664 5.5707 5.5707 5.9874 5.9874 6.1498 6.1498 7.9611 7.9611 8.9955 8.9955 9.1616 9.1616 9.4385 9.4385 k = 0.0694 0.1203-0.0000 ( 15733 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3303 -28.3303 -28.3173 -28.3173 -11.1885 -11.1885 -11.1179 -11.1179 -10.1243 -10.1243 -9.9972 -9.9972 -9.9635 -9.9635 -9.9489 -9.9489 -2.6639 -2.6639 -2.0353 -2.0353 3.4223 3.4223 5.2409 5.2409 5.3770 5.3770 5.6684 5.6684 6.0350 6.0350 6.1789 6.1789 7.9389 7.9389 8.9764 8.9764 9.1160 9.1160 9.4808 9.4808 k = 0.0625 0.1083-0.0000 ( 15725 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3305 -28.3305 -28.3175 -28.3175 -11.1879 -11.1879 -11.1164 -11.1164 -10.1241 -10.1241 -9.9940 -9.9940 -9.9611 -9.9611 -9.9486 -9.9486 -2.6794 -2.6794 -2.0324 -2.0324 3.3894 3.3894 5.2699 5.2699 5.3855 5.3855 5.7648 5.7648 6.0803 6.0803 6.2062 6.2062 7.9176 7.9176 8.9605 8.9605 9.0715 9.0715 9.5212 9.5212 k = 0.0556 0.0962-0.0000 ( 15717 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3306 -28.3306 -28.3177 -28.3177 -11.1873 -11.1873 -11.1151 -11.1151 -10.1239 -10.1239 -9.9911 -9.9911 -9.9589 -9.9589 -9.9483 -9.9483 -2.6935 -2.6935 -2.0298 -2.0298 3.3598 3.3598 5.2970 5.2970 5.3926 5.3926 5.8583 5.8583 6.1228 6.1228 6.2317 6.2317 7.8976 7.8976 8.9471 8.9471 9.0287 9.0287 9.5071 9.5071 k = 0.0486 0.0842-0.0000 ( 15703 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3308 -28.3308 -28.3179 -28.3179 -11.1868 -11.1868 -11.1139 -11.1139 -10.1238 -10.1238 -9.9885 -9.9885 -9.9569 -9.9569 -9.9480 -9.9480 -2.7061 -2.7061 -2.0274 -2.0274 3.3334 3.3334 5.3218 5.3218 5.3986 5.3986 5.9473 5.9473 6.1620 6.1620 6.2551 6.2551 7.8789 7.8789 8.9351 8.9351 8.9887 8.9887 9.3964 9.3964 k = 0.0417 0.0722-0.0000 ( 15683 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3309 -28.3309 -28.3180 -28.3180 -11.1864 -11.1864 -11.1128 -11.1128 -10.1237 -10.1237 -9.9862 -9.9862 -9.9551 -9.9551 -9.9477 -9.9477 -2.7171 -2.7171 -2.0253 -2.0253 3.3105 3.3105 5.3439 5.3439 5.4036 5.4036 6.0300 6.0300 6.1974 6.1974 6.2763 6.2763 7.8619 7.8619 8.9234 8.9234 8.9522 8.9522 9.2970 9.2970 k = 0.0347 0.0601-0.0000 ( 15695 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3311 -28.3311 -28.3181 -28.3181 -11.1860 -11.1860 -11.1119 -11.1119 -10.1236 -10.1236 -9.9843 -9.9843 -9.9536 -9.9536 -9.9474 -9.9474 -2.7265 -2.7265 -2.0235 -2.0235 3.2909 3.2909 5.3629 5.3629 5.4081 5.4081 6.1042 6.1042 6.2290 6.2290 6.2951 6.2951 7.8467 7.8467 8.9104 8.9104 8.9202 8.9202 9.2117 9.2117 k = 0.0278 0.0481-0.0000 ( 15699 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3312 -28.3312 -28.3182 -28.3182 -11.1857 -11.1857 -11.1112 -11.1112 -10.1235 -10.1235 -9.9827 -9.9827 -9.9524 -9.9524 -9.9472 -9.9472 -2.7343 -2.7343 -2.0220 -2.0220 3.2749 3.2749 5.3783 5.3783 5.4122 5.4122 6.1672 6.1672 6.2570 6.2570 6.3114 6.3114 7.8336 7.8336 8.8909 8.8909 8.8971 8.8971 9.1433 9.1433 k = 0.0208 0.0361-0.0000 ( 15703 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3312 -28.3312 -28.3183 -28.3183 -11.1854 -11.1854 -11.1106 -11.1106 -10.1234 -10.1234 -9.9815 -9.9815 -9.9514 -9.9514 -9.9470 -9.9470 -2.7404 -2.7404 -2.0208 -2.0208 3.2623 3.2623 5.3896 5.3896 5.4163 5.4163 6.2154 6.2154 6.2824 6.2824 6.3249 6.3249 7.8230 7.8230 8.8693 8.8693 8.8789 8.8789 9.0938 9.0938 k = 0.0139 0.0241-0.0000 ( 15695 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1853 -11.1853 -11.1102 -11.1102 -10.1234 -10.1234 -9.9806 -9.9806 -9.9507 -9.9507 -9.9468 -9.9468 -2.7447 -2.7447 -2.0199 -2.0199 3.2534 3.2534 5.3969 5.3969 5.4202 5.4202 6.2466 6.2466 6.3054 6.3054 6.3354 6.3354 7.8152 7.8152 8.8528 8.8528 8.8610 8.8610 9.0624 9.0624 k = 0.0069 0.0120-0.0000 ( 15703 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1852 -11.1852 -11.1099 -11.1099 -10.1233 -10.1233 -9.9801 -9.9801 -9.9502 -9.9502 -9.9467 -9.9467 -2.7473 -2.7473 -2.0194 -2.0194 3.2480 3.2480 5.4006 5.4006 5.4232 5.4232 6.2626 6.2626 6.3221 6.3221 6.3423 6.3423 7.8103 7.8103 8.8420 8.8420 8.8482 8.8482 9.0459 9.0459 k = 0.0000 0.0000 0.0000 ( 15715 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1851 -11.1851 -11.1098 -11.1098 -10.1233 -10.1233 -9.9799 -9.9799 -9.9501 -9.9501 -9.9467 -9.9467 -2.7482 -2.7482 -2.0193 -2.0193 3.2462 3.2462 5.4017 5.4017 5.4243 5.4243 6.2675 6.2675 6.3281 6.3281 6.3449 6.3449 7.8087 7.8087 8.8378 8.8378 8.8439 8.8439 9.0408 9.0408 k = 0.0000 0.0000 0.0000 ( 15715 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1851 -11.1851 -11.1098 -11.1098 -10.1233 -10.1233 -9.9799 -9.9799 -9.9501 -9.9501 -9.9467 -9.9467 -2.7482 -2.7482 -2.0193 -2.0193 3.2462 3.2462 5.4017 5.4017 5.4243 5.4243 6.2675 6.2675 6.3281 6.3281 6.3449 6.3449 7.8087 7.8087 8.8378 8.8378 8.8439 8.8439 9.0408 9.0408 k = 0.0000 0.0000 0.0137 ( 15709 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3184 -28.3184 -11.1850 -11.1850 -11.1099 -11.1099 -10.1231 -10.1231 -9.9799 -9.9799 -9.9501 -9.9501 -9.9470 -9.9470 -2.7472 -2.7472 -2.0206 -2.0206 3.2493 3.2493 5.4027 5.4027 5.4253 5.4253 6.2624 6.2624 6.3260 6.3260 6.3344 6.3344 7.8218 7.8218 8.8396 8.8396 8.8457 8.8457 9.0448 9.0448 k = 0.0000 0.0000 0.0274 ( 15727 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3313 -28.3313 -28.3185 -28.3185 -11.1846 -11.1846 -11.1102 -11.1102 -10.1224 -10.1224 -9.9797 -9.9797 -9.9503 -9.9503 -9.9480 -9.9480 -2.7442 -2.7442 -2.0245 -2.0245 3.2588 3.2588 5.4058 5.4058 5.4284 5.4284 6.2426 6.2426 6.3089 6.3089 6.3199 6.3199 7.8597 7.8597 8.8449 8.8449 8.8511 8.8511 9.0571 9.0571 k = 0.0000 0.0000 0.0410 ( 15739 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3312 -28.3312 -28.3186 -28.3186 -11.1839 -11.1839 -11.1107 -11.1107 -10.1213 -10.1213 -9.9795 -9.9795 -9.9505 -9.9505 -9.9495 -9.9495 -2.7393 -2.7393 -2.0310 -2.0310 3.2745 3.2745 5.4108 5.4108 5.4335 5.4335 6.1968 6.1968 6.2836 6.2836 6.3098 6.3098 7.9184 7.9184 8.8538 8.8538 8.8601 8.8601 9.0777 9.0777 k = 0.0000 0.0000 0.0547 ( 15733 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3310 -28.3310 -28.3187 -28.3187 -11.1830 -11.1830 -11.1113 -11.1113 -10.1197 -10.1197 -9.9792 -9.9792 -9.9517 -9.9517 -9.9508 -9.9508 -2.7324 -2.7324 -2.0400 -2.0400 3.2964 3.2964 5.4179 5.4179 5.4407 5.4407 6.1249 6.1249 6.2633 6.2633 6.2959 6.2959 7.9930 7.9930 8.8662 8.8662 8.8726 8.8726 9.1068 9.1068 k = 0.0000 0.0000 0.0684 ( 15727 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3309 -28.3309 -28.3189 -28.3189 -11.1817 -11.1817 -11.1122 -11.1122 -10.1176 -10.1176 -9.9788 -9.9788 -9.9545 -9.9545 -9.9512 -9.9512 -2.7236 -2.7236 -2.0514 -2.0514 3.3245 3.3245 5.4269 5.4269 5.4499 5.4499 6.0363 6.0363 6.2434 6.2434 6.2785 6.2785 8.0790 8.0790 8.8821 8.8821 8.8887 8.8887 9.1446 9.1446 k = 0.0000 0.0000 0.0821 ( 15691 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3306 -28.3306 -28.3191 -28.3191 -11.1803 -11.1803 -11.1132 -11.1132 -10.1151 -10.1151 -9.9783 -9.9783 -9.9578 -9.9578 -9.9517 -9.9517 -2.7128 -2.7128 -2.0651 -2.0651 3.3585 3.3585 5.4379 5.4379 5.4610 5.4610 5.9368 5.9368 6.2218 6.2218 6.2578 6.2578 8.1722 8.1722 8.9015 8.9015 8.9084 8.9084 9.1914 9.1914 k = 0.0000 0.0000 0.0958 ( 15691 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3304 -28.3304 -28.3194 -28.3194 -11.1786 -11.1786 -11.1144 -11.1144 -10.1122 -10.1122 -9.9777 -9.9777 -9.9617 -9.9617 -9.9523 -9.9523 -2.7003 -2.7003 -2.0810 -2.0810 3.3984 3.3984 5.4509 5.4509 5.4742 5.4742 5.8301 5.8301 6.1979 6.1979 6.2340 6.2340 8.2695 8.2695 8.9244 8.9244 8.9316 8.9316 9.2474 9.2474 k = 0.0000 0.0000 0.1095 ( 15697 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3301 -28.3301 -28.3196 -28.3196 -11.1767 -11.1767 -11.1158 -11.1158 -10.1089 -10.1089 -9.9771 -9.9771 -9.9660 -9.9660 -9.9530 -9.9530 -2.6860 -2.6860 -2.0990 -2.0990 3.4440 3.4440 5.4657 5.4657 5.4892 5.4892 5.7187 5.7187 6.1717 6.1717 6.2077 6.2077 8.3684 8.3684 8.9507 8.9507 8.9583 8.9583 9.3127 9.3127 k = 0.0000 0.0000 0.1231 ( 15697 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3298 -28.3298 -28.3200 -28.3200 -11.1746 -11.1746 -11.1174 -11.1174 -10.1051 -10.1051 -9.9764 -9.9764 -9.9708 -9.9708 -9.9537 -9.9537 -2.6700 -2.6700 -2.1188 -2.1188 3.4952 3.4952 5.4825 5.4825 5.5062 5.5062 5.6043 5.6043 6.1434 6.1434 6.1790 6.1790 8.4673 8.4673 8.9805 8.9805 8.9885 8.9885 9.3873 9.3873 k = 0.0000 0.0000 0.1368 ( 15697 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3295 -28.3295 -28.3203 -28.3203 -11.1723 -11.1723 -11.1191 -11.1191 -10.1009 -10.1009 -9.9761 -9.9761 -9.9756 -9.9756 -9.9545 -9.9545 -2.6524 -2.6524 -2.1403 -2.1403 3.5517 3.5517 5.4881 5.4881 5.5010 5.5010 5.5251 5.5251 6.1133 6.1133 6.1483 6.1483 8.5649 8.5649 9.0137 9.0137 9.0221 9.0221 9.4710 9.4710 k = 0.0000 0.0000 0.1505 ( 15697 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3291 -28.3291 -28.3207 -28.3207 -11.1698 -11.1698 -11.1210 -11.1210 -10.0964 -10.0964 -9.9817 -9.9817 -9.9747 -9.9747 -9.9553 -9.9553 -2.6332 -2.6332 -2.1633 -2.1633 3.6135 3.6135 5.3711 5.3711 5.5214 5.5214 5.5457 5.5457 6.0816 6.0816 6.1161 6.1161 8.6605 8.6605 9.0502 9.0502 9.0591 9.0591 9.5632 9.5632 k = 0.0000 0.0000 0.1642 ( 15745 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3287 -28.3287 -28.3211 -28.3211 -11.1673 -11.1673 -11.1230 -11.1230 -10.0915 -10.0915 -9.9877 -9.9877 -9.9738 -9.9738 -9.9563 -9.9563 -2.6125 -2.6125 -2.1877 -2.1877 3.6802 3.6802 5.2540 5.2540 5.5434 5.5434 5.5681 5.5681 6.0487 6.0487 6.0825 6.0825 8.7539 8.7539 9.0901 9.0901 9.0995 9.0995 9.6631 9.6631 k = 0.0000 0.0000 0.1779 ( 15757 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3283 -28.3283 -28.3215 -28.3215 -11.1645 -11.1645 -11.1252 -11.1252 -10.0862 -10.0862 -9.9940 -9.9940 -9.9728 -9.9728 -9.9572 -9.9572 -2.5905 -2.5905 -2.2133 -2.2133 3.7517 3.7517 5.1375 5.1375 5.5671 5.5671 5.5922 5.5922 6.0148 6.0148 6.0480 6.0480 8.8451 8.8451 9.1332 9.1332 9.1431 9.1431 9.7694 9.7694 k = 0.0000 0.0000 0.1915 ( 15745 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3278 -28.3278 -28.3219 -28.3219 -11.1617 -11.1617 -11.1276 -11.1276 -10.0806 -10.0806 -10.0005 -10.0005 -9.9718 -9.9718 -9.9583 -9.9583 -2.5673 -2.5673 -2.2398 -2.2398 3.8279 3.8279 5.0219 5.0219 5.5924 5.5924 5.6179 5.6179 5.9803 5.9803 6.0127 6.0127 8.9344 8.9344 9.1794 9.1794 9.1899 9.1899 9.8708 9.8708 k = 0.0000 0.0000 0.2052 ( 15714 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3274 -28.3274 -28.3224 -28.3224 -11.1588 -11.1588 -11.1300 -11.1300 -10.0748 -10.0748 -10.0072 -10.0072 -9.9707 -9.9707 -9.9593 -9.9593 -2.5429 -2.5429 -2.2670 -2.2670 3.9084 3.9084 4.9078 4.9078 5.6192 5.6192 5.6451 5.6451 5.9453 5.9453 5.9771 5.9771 9.0220 9.0220 9.2288 9.2288 9.2398 9.2398 9.8288 9.8288 k = 0.0000 0.0000 0.2189 ( 15690 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3269 -28.3269 -28.3229 -28.3229 -11.1559 -11.1559 -11.1326 -11.1326 -10.0686 -10.0686 -10.0141 -10.0141 -9.9697 -9.9697 -9.9604 -9.9604 -2.5175 -2.5175 -2.2949 -2.2949 3.9931 3.9931 4.7955 4.7955 5.6475 5.6475 5.6738 5.6738 5.9102 5.9102 5.9413 5.9413 9.1082 9.1082 9.2811 9.2811 9.2927 9.2927 9.7562 9.7562 k = 0.0000 0.0000 0.2326 ( 15690 PWs) bands (ev): -39.1316 -39.1316 -39.1315 -39.1315 -28.3264 -28.3264 -28.3234 -28.3234 -11.1529 -11.1529 -11.1353 -11.1353 -10.0622 -10.0622 -10.0210 -10.0210 -9.9685 -9.9685 -9.9616 -9.9616 -2.4912 -2.4912 -2.3231 -2.3231 4.0818 4.0818 4.6852 4.6852 5.6770 5.6770 5.7039 5.7039 5.8752 5.8752 5.9056 5.9056 9.1934 9.1934 9.3363 9.3363 9.3485 9.3485 9.6810 9.6810 k = 0.0000 0.0000 0.2463 ( 15684 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3259 -28.3259 -28.3239 -28.3239 -11.1499 -11.1499 -11.1381 -11.1381 -10.0556 -10.0556 -10.0280 -10.0280 -9.9674 -9.9674 -9.9627 -9.9627 -2.4642 -2.4642 -2.3516 -2.3516 4.1743 4.1743 4.5773 4.5773 5.7078 5.7078 5.7352 5.7352 5.8404 5.8404 5.8701 5.8701 9.2776 9.2776 9.3942 9.3942 9.4068 9.4068 9.6034 9.6034 k = 0.0000 0.0000 0.2600 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3254 -28.3254 -28.3244 -28.3244 -11.1469 -11.1469 -11.1410 -11.1410 -10.0489 -10.0489 -10.0351 -10.0351 -9.9662 -9.9662 -9.9639 -9.9639 -2.4366 -2.4366 -2.3801 -2.3801 4.2703 4.2703 4.4720 4.4720 5.7397 5.7397 5.7676 5.7676 5.8061 5.8061 5.8352 5.8352 9.3608 9.3608 9.4544 9.4544 9.4676 9.4676 9.5240 9.5240 k = 0.0000 0.0000 0.2736 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3249 -28.3249 -28.3249 -28.3249 -11.1439 -11.1439 -11.1439 -11.1439 -10.0420 -10.0420 -10.0420 -10.0420 -9.9650 -9.9650 -9.9650 -9.9650 -2.4085 -2.4085 -2.4085 -2.4085 4.3696 4.3696 4.3696 4.3696 5.7725 5.7725 5.7725 5.7725 5.8010 5.8010 5.8010 5.8010 9.4429 9.4429 9.4429 9.4429 9.5169 9.5169 9.5169 9.5169 k = 0.0000 0.0000 0.2736 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3249 -28.3249 -28.3249 -28.3249 -11.1439 -11.1439 -11.1439 -11.1439 -10.0420 -10.0420 -10.0420 -10.0420 -9.9650 -9.9650 -9.9650 -9.9650 -2.4085 -2.4085 -2.4085 -2.4085 4.3696 4.3696 4.3696 4.3696 5.7725 5.7725 5.7725 5.7725 5.8010 5.8010 5.8010 5.8010 9.4429 9.4429 9.4429 9.4429 9.5169 9.5169 9.5169 9.5169 k = 0.0119 0.0069 0.2736 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3249 -28.3249 -28.3249 -28.3249 -11.1440 -11.1440 -11.1440 -11.1440 -10.0420 -10.0420 -10.0420 -10.0420 -9.9652 -9.9652 -9.9652 -9.9652 -2.4080 -2.4080 -2.4080 -2.4080 4.3697 4.3697 4.3697 4.3697 5.7707 5.7707 5.7707 5.7707 5.7992 5.7992 5.7992 5.7992 9.4414 9.4414 9.4414 9.4414 9.5186 9.5186 9.5186 9.5186 k = 0.0238 0.0137 0.2736 ( 15710 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3248 -28.3248 -28.3248 -28.3248 -11.1441 -11.1441 -11.1441 -11.1441 -10.0421 -10.0421 -10.0421 -10.0421 -9.9657 -9.9657 -9.9657 -9.9657 -2.4067 -2.4067 -2.4067 -2.4067 4.3701 4.3701 4.3701 4.3701 5.7650 5.7650 5.7650 5.7650 5.7941 5.7941 5.7941 5.7941 9.4358 9.4358 9.4358 9.4358 9.5242 9.5242 9.5242 9.5242 k = 0.0357 0.0206 0.2736 ( 15720 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3248 -28.3248 -28.3248 -28.3248 -11.1444 -11.1444 -11.1444 -11.1444 -10.0422 -10.0422 -10.0422 -10.0422 -9.9664 -9.9664 -9.9664 -9.9664 -2.4046 -2.4046 -2.4046 -2.4046 4.3707 4.3707 4.3707 4.3707 5.7550 5.7550 5.7550 5.7550 5.7864 5.7864 5.7864 5.7864 9.4236 9.4236 9.4236 9.4236 9.5342 9.5342 9.5342 9.5342 k = 0.0476 0.0275 0.2736 ( 15730 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3247 -28.3247 -28.3247 -28.3247 -11.1448 -11.1448 -11.1448 -11.1448 -10.0423 -10.0423 -10.0423 -10.0423 -9.9675 -9.9675 -9.9675 -9.9675 -2.4016 -2.4016 -2.4016 -2.4016 4.3715 4.3715 4.3715 4.3715 5.7404 5.7404 5.7404 5.7404 5.7768 5.7768 5.7768 5.7768 9.4036 9.4036 9.4036 9.4036 9.5472 9.5472 9.5472 9.5472 k = 0.0595 0.0344 0.2736 ( 15738 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3246 -28.3246 -28.3246 -28.3246 -11.1454 -11.1454 -11.1454 -11.1454 -10.0425 -10.0425 -10.0425 -10.0425 -9.9688 -9.9688 -9.9688 -9.9688 -2.3977 -2.3977 -2.3977 -2.3977 4.3722 4.3722 4.3722 4.3722 5.7212 5.7212 5.7212 5.7212 5.7658 5.7658 5.7658 5.7658 9.3761 9.3761 9.3761 9.3761 9.5623 9.5623 9.5623 9.5623 k = 0.0714 0.0412 0.2736 ( 15726 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3245 -28.3245 -28.3245 -28.3245 -11.1460 -11.1460 -11.1460 -11.1460 -10.0428 -10.0428 -10.0428 -10.0428 -9.9704 -9.9704 -9.9704 -9.9704 -2.3931 -2.3931 -2.3931 -2.3931 4.3729 4.3729 4.3729 4.3729 5.6979 5.6979 5.6979 5.6979 5.7535 5.7535 5.7535 5.7535 9.3415 9.3415 9.3415 9.3415 9.5800 9.5800 9.5800 9.5800 k = 0.0833 0.0481 0.2736 ( 15704 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3244 -28.3244 -28.3244 -28.3244 -11.1467 -11.1467 -11.1467 -11.1467 -10.0431 -10.0431 -10.0431 -10.0431 -9.9722 -9.9722 -9.9722 -9.9722 -2.3876 -2.3876 -2.3876 -2.3876 4.3733 4.3733 4.3733 4.3733 5.6714 5.6714 5.6714 5.6714 5.7398 5.7398 5.7398 5.7398 9.3007 9.3007 9.3007 9.3007 9.6006 9.6006 9.6006 9.6006 k = 0.0952 0.0550 0.2736 ( 15704 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3242 -28.3242 -28.3242 -28.3242 -11.1476 -11.1476 -11.1476 -11.1476 -10.0434 -10.0434 -10.0434 -10.0434 -9.9743 -9.9743 -9.9743 -9.9743 -2.3814 -2.3814 -2.3814 -2.3814 4.3731 4.3731 4.3731 4.3731 5.6423 5.6423 5.6423 5.6423 5.7247 5.7247 5.7247 5.7247 9.2542 9.2542 9.2542 9.2542 9.6244 9.6244 9.6244 9.6244 k = 0.1071 0.0619 0.2736 ( 15704 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3240 -28.3240 -28.3240 -28.3240 -11.1485 -11.1485 -11.1485 -11.1485 -10.0439 -10.0439 -10.0439 -10.0439 -9.9766 -9.9766 -9.9766 -9.9766 -2.3745 -2.3745 -2.3745 -2.3745 4.3723 4.3723 4.3723 4.3723 5.6115 5.6115 5.6115 5.6115 5.7083 5.7083 5.7083 5.7083 9.2027 9.2027 9.2027 9.2027 9.6513 9.6513 9.6513 9.6513 k = 0.1190 0.0687 0.2736 ( 15712 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3238 -28.3238 -28.3238 -28.3238 -11.1496 -11.1496 -11.1496 -11.1496 -10.0444 -10.0444 -10.0444 -10.0444 -9.9790 -9.9790 -9.9790 -9.9790 -2.3669 -2.3669 -2.3669 -2.3669 4.3705 4.3705 4.3705 4.3705 5.5798 5.5798 5.5798 5.5798 5.6906 5.6906 5.6906 5.6906 9.1471 9.1471 9.1471 9.1471 9.6813 9.6813 9.6813 9.6813 k = 0.1310 0.0756 0.2736 ( 15710 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3236 -28.3236 -28.3236 -28.3236 -11.1508 -11.1508 -11.1508 -11.1508 -10.0449 -10.0449 -10.0449 -10.0449 -9.9816 -9.9816 -9.9816 -9.9816 -2.3587 -2.3587 -2.3587 -2.3587 4.3675 4.3675 4.3675 4.3675 5.5478 5.5478 5.5478 5.5478 5.6717 5.6717 5.6717 5.6717 9.0881 9.0881 9.0881 9.0881 9.7145 9.7145 9.7145 9.7145 k = 0.1429 0.0825 0.2736 ( 15706 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3234 -28.3234 -28.3234 -28.3234 -11.1520 -11.1520 -11.1520 -11.1520 -10.0456 -10.0456 -10.0456 -10.0456 -9.9843 -9.9843 -9.9843 -9.9843 -2.3498 -2.3498 -2.3498 -2.3498 4.3629 4.3629 4.3629 4.3629 5.5164 5.5164 5.5164 5.5164 5.6518 5.6518 5.6518 5.6518 9.0265 9.0265 9.0265 9.0265 9.7503 9.7503 9.7503 9.7503 k = 0.1548 0.0894 0.2736 ( 15718 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3232 -28.3232 -28.3232 -28.3232 -11.1533 -11.1533 -11.1533 -11.1533 -10.0464 -10.0464 -10.0464 -10.0464 -9.9871 -9.9871 -9.9871 -9.9871 -2.3405 -2.3405 -2.3405 -2.3405 4.3566 4.3566 4.3566 4.3566 5.4861 5.4861 5.4861 5.4861 5.6310 5.6310 5.6310 5.6310 8.9632 8.9632 8.9632 8.9632 9.7780 9.7780 9.7780 9.7780 k = 0.1667 0.0962 0.2736 ( 15722 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3229 -28.3229 -28.3229 -28.3229 -11.1547 -11.1547 -11.1547 -11.1547 -10.0474 -10.0474 -10.0474 -10.0474 -9.9899 -9.9899 -9.9899 -9.9899 -2.3306 -2.3306 -2.3306 -2.3306 4.3481 4.3481 4.3481 4.3481 5.4576 5.4576 5.4576 5.4576 5.6095 5.6095 5.6095 5.6095 8.8988 8.8988 8.8988 8.8988 9.7798 9.7798 9.7798 9.7798 k = 0.1786 0.1031 0.2736 ( 15700 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3226 -28.3226 -28.3226 -28.3226 -11.1562 -11.1562 -11.1562 -11.1562 -10.0485 -10.0485 -10.0485 -10.0485 -9.9928 -9.9928 -9.9928 -9.9928 -2.3203 -2.3203 -2.3203 -2.3203 4.3374 4.3374 4.3374 4.3374 5.4314 5.4314 5.4314 5.4314 5.5874 5.5874 5.5874 5.5874 8.8341 8.8341 8.8341 8.8341 9.7756 9.7756 9.7756 9.7756 k = 0.1905 0.1100 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3224 -28.3224 -28.3224 -28.3224 -11.1577 -11.1577 -11.1577 -11.1577 -10.0497 -10.0497 -10.0497 -10.0497 -9.9955 -9.9955 -9.9955 -9.9955 -2.3097 -2.3097 -2.3097 -2.3097 4.3243 4.3243 4.3243 4.3243 5.4078 5.4078 5.4078 5.4078 5.5649 5.5649 5.5649 5.5649 8.7697 8.7697 8.7697 8.7697 9.7681 9.7681 9.7681 9.7681 k = 0.2024 0.1168 0.2736 ( 15718 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3221 -28.3221 -28.3221 -28.3221 -11.1593 -11.1593 -11.1593 -11.1593 -10.0511 -10.0511 -10.0511 -10.0511 -9.9982 -9.9982 -9.9982 -9.9982 -2.2987 -2.2987 -2.2987 -2.2987 4.3087 4.3087 4.3087 4.3087 5.3872 5.3872 5.3872 5.3872 5.5421 5.5421 5.5421 5.5421 8.7061 8.7061 8.7061 8.7061 9.7587 9.7587 9.7587 9.7587 k = 0.2143 0.1237 0.2736 ( 15706 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3218 -28.3218 -28.3218 -28.3218 -11.1610 -11.1610 -11.1610 -11.1610 -10.0528 -10.0528 -10.0528 -10.0528 -10.0008 -10.0008 -10.0008 -10.0008 -2.2874 -2.2874 -2.2874 -2.2874 4.2905 4.2905 4.2905 4.2905 5.3697 5.3697 5.3697 5.3697 5.5191 5.5191 5.5191 5.5191 8.6439 8.6439 8.6439 8.6439 9.7482 9.7482 9.7482 9.7482 k = 0.2262 0.1306 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3215 -28.3215 -28.3215 -28.3215 -11.1626 -11.1626 -11.1626 -11.1626 -10.0546 -10.0546 -10.0546 -10.0546 -10.0032 -10.0032 -10.0032 -10.0032 -2.2760 -2.2760 -2.2760 -2.2760 4.2699 4.2699 4.2699 4.2699 5.3554 5.3554 5.3554 5.3554 5.4961 5.4961 5.4961 5.4961 8.5835 8.5835 8.5835 8.5835 9.7373 9.7373 9.7373 9.7373 k = 0.2381 0.1375 0.2736 ( 15704 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3212 -28.3212 -28.3212 -28.3212 -11.1644 -11.1644 -11.1644 -11.1644 -10.0566 -10.0566 -10.0566 -10.0566 -10.0054 -10.0054 -10.0054 -10.0054 -2.2644 -2.2644 -2.2644 -2.2644 4.2472 4.2472 4.2472 4.2472 5.3441 5.3441 5.3441 5.3441 5.4734 5.4734 5.4734 5.4734 8.5253 8.5253 8.5253 8.5253 9.7265 9.7265 9.7265 9.7265 k = 0.2500 0.1443 0.2736 ( 15702 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3209 -28.3209 -28.3209 -28.3209 -11.1661 -11.1661 -11.1661 -11.1661 -10.0589 -10.0589 -10.0589 -10.0589 -10.0074 -10.0074 -10.0074 -10.0074 -2.2528 -2.2528 -2.2528 -2.2528 4.2225 4.2225 4.2225 4.2225 5.3357 5.3357 5.3357 5.3357 5.4510 5.4510 5.4510 5.4510 8.4695 8.4695 8.4695 8.4695 9.7159 9.7159 9.7159 9.7159 k = 0.2619 0.1512 0.2736 ( 15714 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3206 -28.3206 -28.3206 -28.3206 -11.1678 -11.1678 -11.1678 -11.1678 -10.0613 -10.0613 -10.0613 -10.0613 -10.0092 -10.0092 -10.0092 -10.0092 -2.2412 -2.2412 -2.2412 -2.2412 4.1962 4.1962 4.1962 4.1962 5.3297 5.3297 5.3297 5.3297 5.4291 5.4291 5.4291 5.4291 8.4164 8.4164 8.4164 8.4164 9.7058 9.7058 9.7058 9.7058 k = 0.2738 0.1581 0.2736 ( 15718 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3203 -28.3203 -28.3203 -28.3203 -11.1696 -11.1696 -11.1696 -11.1696 -10.0639 -10.0639 -10.0639 -10.0639 -10.0108 -10.0108 -10.0108 -10.0108 -2.2296 -2.2296 -2.2296 -2.2296 4.1686 4.1686 4.1686 4.1686 5.3258 5.3258 5.3258 5.3258 5.4080 5.4080 5.4080 5.4080 8.3663 8.3663 8.3663 8.3663 9.6963 9.6963 9.6963 9.6963 k = 0.2857 0.1650 0.2736 ( 15708 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3200 -28.3200 -28.3200 -28.3200 -11.1713 -11.1713 -11.1713 -11.1713 -10.0666 -10.0666 -10.0666 -10.0666 -10.0122 -10.0122 -10.0122 -10.0122 -2.2181 -2.2181 -2.2181 -2.2181 4.1401 4.1401 4.1401 4.1401 5.3233 5.3233 5.3233 5.3233 5.3883 5.3883 5.3883 5.3883 8.3192 8.3192 8.3192 8.3192 9.6873 9.6873 9.6873 9.6873 k = 0.2976 0.1718 0.2736 ( 15720 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3197 -28.3197 -28.3197 -28.3197 -11.1731 -11.1731 -11.1731 -11.1731 -10.0694 -10.0694 -10.0694 -10.0694 -10.0134 -10.0134 -10.0134 -10.0134 -2.2069 -2.2069 -2.2069 -2.2069 4.1112 4.1112 4.1112 4.1112 5.3209 5.3209 5.3209 5.3209 5.3707 5.3707 5.3707 5.3707 8.2754 8.2754 8.2754 8.2754 9.6789 9.6789 9.6789 9.6789 k = 0.3095 0.1787 0.2736 ( 15712 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3195 -28.3195 -28.3195 -28.3195 -11.1748 -11.1748 -11.1748 -11.1748 -10.0722 -10.0722 -10.0722 -10.0722 -10.0144 -10.0144 -10.0144 -10.0144 -2.1959 -2.1959 -2.1959 -2.1959 4.0821 4.0821 4.0821 4.0821 5.3163 5.3163 5.3163 5.3163 5.3575 5.3575 5.3575 5.3575 8.2348 8.2348 8.2348 8.2348 9.6711 9.6711 9.6711 9.6711 k = 0.3214 0.1856 0.2736 ( 15712 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3192 -28.3192 -28.3192 -28.3192 -11.1764 -11.1764 -11.1764 -11.1764 -10.0751 -10.0751 -10.0751 -10.0751 -10.0153 -10.0153 -10.0153 -10.0153 -2.1852 -2.1852 -2.1852 -2.1852 4.0533 4.0533 4.0533 4.0533 5.3069 5.3069 5.3069 5.3069 5.3510 5.3510 5.3510 5.3510 8.1975 8.1975 8.1975 8.1975 9.6639 9.6639 9.6639 9.6639 k = 0.3333 0.1925 0.2736 ( 15712 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3189 -28.3189 -28.3189 -28.3189 -11.1780 -11.1780 -11.1780 -11.1780 -10.0779 -10.0779 -10.0779 -10.0779 -10.0160 -10.0160 -10.0160 -10.0160 -2.1749 -2.1749 -2.1749 -2.1749 4.0250 4.0250 4.0250 4.0250 5.2935 5.2935 5.2935 5.2935 5.3501 5.3501 5.3501 5.3501 8.1634 8.1634 8.1634 8.1634 9.6573 9.6573 9.6573 9.6573 k = 0.3452 0.1993 0.2736 ( 15720 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3187 -28.3187 -28.3187 -28.3187 -11.1796 -11.1796 -11.1796 -11.1796 -10.0807 -10.0807 -10.0807 -10.0807 -10.0166 -10.0166 -10.0166 -10.0166 -2.1650 -2.1650 -2.1650 -2.1650 3.9975 3.9975 3.9975 3.9975 5.2785 5.2785 5.2785 5.2785 5.3523 5.3523 5.3523 5.3523 8.1327 8.1327 8.1327 8.1327 9.6511 9.6511 9.6511 9.6511 k = 0.3571 0.2062 0.2736 ( 15710 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3184 -28.3184 -28.3184 -28.3184 -11.1811 -11.1811 -11.1811 -11.1811 -10.0834 -10.0834 -10.0834 -10.0834 -10.0171 -10.0171 -10.0171 -10.0171 -2.1556 -2.1556 -2.1556 -2.1556 3.9712 3.9712 3.9712 3.9712 5.2635 5.2635 5.2635 5.2635 5.3559 5.3559 5.3559 5.3559 8.1051 8.1051 8.1051 8.1051 9.6455 9.6455 9.6455 9.6455 k = 0.3690 0.2131 0.2736 ( 15710 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3182 -28.3182 -28.3182 -28.3182 -11.1825 -11.1825 -11.1825 -11.1825 -10.0860 -10.0860 -10.0860 -10.0860 -10.0176 -10.0176 -10.0176 -10.0176 -2.1468 -2.1468 -2.1468 -2.1468 3.9462 3.9462 3.9462 3.9462 5.2490 5.2490 5.2490 5.2490 5.3601 5.3601 5.3601 5.3601 8.0806 8.0806 8.0806 8.0806 9.6403 9.6403 9.6403 9.6403 k = 0.3810 0.2199 0.2736 ( 15720 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3180 -28.3180 -28.3180 -28.3180 -11.1838 -11.1838 -11.1838 -11.1838 -10.0885 -10.0885 -10.0885 -10.0885 -10.0179 -10.0179 -10.0179 -10.0179 -2.1385 -2.1385 -2.1385 -2.1385 3.9227 3.9227 3.9227 3.9227 5.2354 5.2354 5.2354 5.2354 5.3645 5.3645 5.3645 5.3645 8.0590 8.0590 8.0590 8.0590 9.6355 9.6355 9.6355 9.6355 k = 0.3929 0.2268 0.2736 ( 15726 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3178 -28.3178 -28.3178 -28.3178 -11.1850 -11.1850 -11.1850 -11.1850 -10.0908 -10.0908 -10.0908 -10.0908 -10.0182 -10.0182 -10.0182 -10.0182 -2.1309 -2.1309 -2.1309 -2.1309 3.9010 3.9010 3.9010 3.9010 5.2228 5.2228 5.2228 5.2228 5.3688 5.3688 5.3688 5.3688 8.0402 8.0402 8.0402 8.0402 9.6312 9.6312 9.6312 9.6312 k = 0.4048 0.2337 0.2736 ( 15734 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3176 -28.3176 -28.3176 -28.3176 -11.1861 -11.1861 -11.1861 -11.1861 -10.0929 -10.0929 -10.0929 -10.0929 -10.0184 -10.0184 -10.0184 -10.0184 -2.1239 -2.1239 -2.1239 -2.1239 3.8812 3.8812 3.8812 3.8812 5.2114 5.2114 5.2114 5.2114 5.3730 5.3730 5.3730 5.3730 8.0241 8.0241 8.0241 8.0241 9.6273 9.6273 9.6273 9.6273 k = 0.4167 0.2406 0.2736 ( 15726 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3175 -28.3175 -28.3175 -28.3175 -11.1871 -11.1871 -11.1871 -11.1871 -10.0948 -10.0948 -10.0948 -10.0948 -10.0186 -10.0186 -10.0186 -10.0186 -2.1177 -2.1177 -2.1177 -2.1177 3.8634 3.8634 3.8634 3.8634 5.2011 5.2011 5.2011 5.2011 5.3768 5.3768 5.3768 5.3768 8.0104 8.0104 8.0104 8.0104 9.6238 9.6238 9.6238 9.6238 k = 0.4286 0.2474 0.2736 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3173 -28.3173 -28.3173 -28.3173 -11.1880 -11.1880 -11.1880 -11.1880 -10.0964 -10.0964 -10.0964 -10.0964 -10.0188 -10.0188 -10.0188 -10.0188 -2.1122 -2.1122 -2.1122 -2.1122 3.8478 3.8478 3.8478 3.8478 5.1922 5.1922 5.1922 5.1922 5.3802 5.3802 5.3802 5.3802 7.9989 7.9989 7.9989 7.9989 9.6208 9.6208 9.6208 9.6208 k = 0.4405 0.2543 0.2736 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3172 -28.3172 -28.3172 -28.3172 -11.1888 -11.1888 -11.1888 -11.1888 -10.0979 -10.0979 -10.0979 -10.0979 -10.0189 -10.0189 -10.0189 -10.0189 -2.1076 -2.1076 -2.1076 -2.1076 3.8344 3.8344 3.8344 3.8344 5.1845 5.1845 5.1845 5.1845 5.3831 5.3831 5.3831 5.3831 7.9896 7.9896 7.9896 7.9896 9.6182 9.6182 9.6182 9.6182 k = 0.4524 0.2612 0.2736 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3171 -28.3171 -28.3171 -28.3171 -11.1894 -11.1894 -11.1894 -11.1894 -10.0990 -10.0990 -10.0990 -10.0990 -10.0190 -10.0190 -10.0190 -10.0190 -2.1037 -2.1037 -2.1037 -2.1037 3.8233 3.8233 3.8233 3.8233 5.1782 5.1782 5.1782 5.1782 5.3855 5.3855 5.3855 5.3855 7.9822 7.9822 7.9822 7.9822 9.6160 9.6160 9.6160 9.6160 k = 0.4643 0.2681 0.2736 ( 15700 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3170 -28.3170 -28.3170 -28.3170 -11.1899 -11.1899 -11.1899 -11.1899 -10.1000 -10.1000 -10.1000 -10.1000 -10.0191 -10.0191 -10.0191 -10.0191 -2.1007 -2.1007 -2.1007 -2.1007 3.8146 3.8146 3.8146 3.8146 5.1733 5.1733 5.1733 5.1733 5.3874 5.3874 5.3874 5.3874 7.9766 7.9766 7.9766 7.9766 9.6143 9.6143 9.6143 9.6143 k = 0.4762 0.2749 0.2736 ( 15704 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3170 -28.3170 -28.3170 -28.3170 -11.1902 -11.1902 -11.1902 -11.1902 -10.1007 -10.1007 -10.1007 -10.1007 -10.0191 -10.0191 -10.0191 -10.0191 -2.0985 -2.0985 -2.0985 -2.0985 3.8084 3.8084 3.8084 3.8084 5.1698 5.1698 5.1698 5.1698 5.3888 5.3888 5.3888 5.3888 7.9727 7.9727 7.9727 7.9727 9.6131 9.6131 9.6131 9.6131 k = 0.4881 0.2818 0.2736 ( 15700 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3170 -28.3170 -28.3170 -28.3170 -11.1904 -11.1904 -11.1904 -11.1904 -10.1011 -10.1011 -10.1011 -10.1011 -10.0191 -10.0191 -10.0191 -10.0191 -2.0972 -2.0972 -2.0972 -2.0972 3.8046 3.8046 3.8046 3.8046 5.1677 5.1677 5.1677 5.1677 5.3896 5.3896 5.3896 5.3896 7.9704 7.9704 7.9704 7.9704 9.6123 9.6123 9.6123 9.6123 k = 0.5000 0.2887 0.2736 ( 15688 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1905 -11.1905 -11.1905 -11.1905 -10.1012 -10.1012 -10.1012 -10.1012 -10.0191 -10.0191 -10.0191 -10.0191 -2.0967 -2.0967 -2.0967 -2.0967 3.8034 3.8034 3.8034 3.8034 5.1670 5.1670 5.1670 5.1670 5.3899 5.3899 5.3899 5.3899 7.9697 7.9697 7.9697 7.9697 9.6121 9.6121 9.6121 9.6121 k = 0.5000 0.2887 0.2736 ( 15688 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1905 -11.1905 -11.1905 -11.1905 -10.1012 -10.1012 -10.1012 -10.1012 -10.0191 -10.0191 -10.0191 -10.0191 -2.0967 -2.0967 -2.0967 -2.0967 3.8034 3.8034 3.8034 3.8034 5.1670 5.1670 5.1670 5.1670 5.3899 5.3899 5.3899 5.3899 7.9697 7.9697 7.9697 7.9697 9.6121 9.6121 9.6121 9.6121 k = 0.4931 0.3007 0.2736 ( 15702 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1908 -11.1908 -11.1903 -11.1903 -10.1014 -10.1014 -10.1008 -10.1008 -10.0193 -10.0193 -10.0192 -10.0192 -2.0972 -2.0972 -2.0960 -2.0960 3.8037 3.8037 3.8050 3.8050 5.1632 5.1632 5.1647 5.1647 5.3892 5.3892 5.3904 5.3904 7.9708 7.9708 7.9721 7.9721 9.6153 9.6153 9.6180 9.6180 k = 0.4861 0.3127 0.2736 ( 15698 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1910 -11.1910 -11.1901 -11.1901 -10.1016 -10.1016 -10.1004 -10.1004 -10.0197 -10.0197 -10.0195 -10.0195 -2.0973 -2.0973 -2.0949 -2.0949 3.8058 3.8058 3.8084 3.8084 5.1535 5.1535 5.1564 5.1564 5.3881 5.3881 5.3905 5.3905 7.9754 7.9754 7.9780 7.9780 9.6277 9.6277 9.6330 9.6330 k = 0.4792 0.3248 0.2736 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1913 -11.1913 -11.1899 -11.1899 -10.1017 -10.1017 -10.0999 -10.0999 -10.0203 -10.0203 -10.0200 -10.0200 -2.0971 -2.0971 -2.0935 -2.0935 3.8098 3.8098 3.8137 3.8137 5.1379 5.1379 5.1423 5.1423 5.3868 5.3868 5.3904 5.3904 7.9833 7.9833 7.9872 7.9872 9.6491 9.6491 9.6569 9.6569 k = 0.4722 0.3368 0.2736 ( 15690 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1917 -11.1917 -11.1898 -11.1898 -10.1016 -10.1016 -10.0992 -10.0992 -10.0212 -10.0212 -10.0207 -10.0207 -2.0967 -2.0967 -2.0919 -2.0919 3.8157 3.8157 3.8209 3.8209 5.1169 5.1169 5.1227 5.1227 5.3853 5.3853 5.3900 5.3900 7.9943 7.9943 7.9996 7.9996 9.6794 9.6794 9.6896 9.6896 k = 0.4653 0.3488 0.2736 ( 15702 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1920 -11.1920 -11.1897 -11.1897 -10.1015 -10.1015 -10.0985 -10.0985 -10.0222 -10.0222 -10.0217 -10.0217 -2.0959 -2.0959 -2.0900 -2.0900 3.8234 3.8234 3.8298 3.8298 5.0908 5.0908 5.0980 5.0980 5.3836 5.3836 5.3894 5.3894 8.0080 8.0080 8.0147 8.0147 9.7182 9.7182 9.7306 9.7306 k = 0.4583 0.3608 0.2736 ( 15710 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3168 -28.3168 -28.3168 -28.3168 -11.1924 -11.1924 -11.1896 -11.1896 -10.1013 -10.1013 -10.0977 -10.0977 -10.0234 -10.0234 -10.0229 -10.0229 -2.0948 -2.0948 -2.0878 -2.0878 3.8329 3.8329 3.8405 3.8405 5.0602 5.0602 5.0686 5.0686 5.3817 5.3817 5.3886 5.3886 8.0240 8.0240 8.0323 8.0323 9.7650 9.7650 9.7796 9.7796 k = 0.4514 0.3729 0.2736 ( 15720 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3168 -28.3168 -28.3168 -28.3168 -11.1927 -11.1927 -11.1896 -11.1896 -10.1011 -10.1011 -10.0968 -10.0968 -10.0248 -10.0248 -10.0243 -10.0243 -2.0935 -2.0935 -2.0854 -2.0854 3.8441 3.8441 3.8530 3.8530 5.0254 5.0254 5.0351 5.0351 5.3796 5.3796 5.3876 5.3876 8.0420 8.0420 8.0519 8.0519 9.8195 9.8195 9.8360 9.8360 k = 0.4444 0.3849 0.2736 ( 15704 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3167 -28.3167 -28.3167 -28.3167 -11.1931 -11.1931 -11.1895 -11.1895 -10.1007 -10.1007 -10.0958 -10.0958 -10.0263 -10.0263 -10.0258 -10.0258 -2.0920 -2.0920 -2.0828 -2.0828 3.8571 3.8571 3.8671 3.8671 4.9872 4.9872 4.9980 4.9980 5.3774 5.3774 5.3864 5.3864 8.0615 8.0615 8.0731 8.0731 9.8810 9.8810 9.8991 9.8991 k = 0.4375 0.3969 0.2736 ( 15708 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3167 -28.3167 -28.3167 -28.3167 -11.1935 -11.1935 -11.1896 -11.1896 -10.1003 -10.1003 -10.0947 -10.0947 -10.0280 -10.0280 -10.0275 -10.0275 -2.0903 -2.0903 -2.0801 -2.0801 3.8718 3.8718 3.8829 3.8829 4.9460 4.9460 4.9579 4.9579 5.3751 5.3751 5.3851 5.3851 8.0821 8.0821 8.0955 8.0955 9.9488 9.9488 9.9683 9.9683 k = 0.4306 0.4090 0.2736 ( 15696 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3166 -28.3166 -28.3166 -28.3166 -11.1939 -11.1939 -11.1896 -11.1896 -10.0999 -10.0999 -10.0936 -10.0936 -10.0297 -10.0297 -10.0294 -10.0294 -2.0884 -2.0884 -2.0772 -2.0772 3.8880 3.8880 3.9002 3.9002 4.9026 4.9026 4.9154 4.9154 5.3728 5.3728 5.3837 5.3837 8.1034 8.1034 8.1187 8.1187 10.0219 10.0219 10.0426 10.0426 k = 0.4236 0.4210 0.2736 ( 15690 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3165 -28.3165 -28.3165 -28.3165 -11.1944 -11.1944 -11.1896 -11.1896 -10.0994 -10.0994 -10.0924 -10.0924 -10.0315 -10.0315 -10.0314 -10.0314 -2.0863 -2.0863 -2.0742 -2.0742 3.9058 3.9058 3.9190 3.9190 4.8573 4.8573 4.8710 4.8710 5.3704 5.3704 5.3822 5.3822 8.1250 8.1250 8.1422 8.1422 10.0994 10.0994 10.1210 10.1210 k = 0.4167 0.4330 0.2736 ( 15690 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3165 -28.3165 -28.3165 -28.3165 -11.1948 -11.1948 -11.1897 -11.1897 -10.0989 -10.0989 -10.0912 -10.0912 -10.0334 -10.0334 -10.0333 -10.0333 -2.0841 -2.0841 -2.0712 -2.0712 3.9251 3.9251 3.9393 3.9393 4.8108 4.8108 4.8253 4.8253 5.3680 5.3680 5.3806 5.3806 8.1465 8.1465 8.1656 8.1656 10.1800 10.1800 10.2022 10.2022 k = 0.4097 0.4450 0.2736 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3164 -28.3164 -28.3164 -28.3164 -11.1952 -11.1952 -11.1898 -11.1898 -10.0984 -10.0984 -10.0899 -10.0899 -10.0356 -10.0356 -10.0352 -10.0352 -2.0819 -2.0819 -2.0681 -2.0681 3.9458 3.9458 3.9609 3.9609 4.7636 4.7636 4.7788 4.7788 5.3656 5.3656 5.3790 5.3790 8.1676 8.1676 8.1886 8.1886 10.2623 10.2623 10.2849 10.2849 k = 0.4028 0.4571 0.2736 ( 15696 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3164 -28.3164 -28.3164 -28.3164 -11.1956 -11.1956 -11.1899 -11.1899 -10.0979 -10.0979 -10.0886 -10.0886 -10.0377 -10.0377 -10.0370 -10.0370 -2.0797 -2.0797 -2.0651 -2.0651 3.9678 3.9678 3.9837 3.9837 4.7161 4.7161 4.7320 4.7320 5.3633 5.3633 5.3774 5.3774 8.1879 8.1879 8.2108 8.2108 10.3450 10.3450 10.3674 10.3674 k = 0.3958 0.4691 0.2736 ( 15690 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3163 -28.3163 -28.3163 -28.3163 -11.1960 -11.1960 -11.1901 -11.1901 -10.0974 -10.0974 -10.0873 -10.0873 -10.0399 -10.0399 -10.0387 -10.0387 -2.0774 -2.0774 -2.0622 -2.0622 3.9910 3.9910 4.0077 4.0077 4.6689 4.6689 4.6853 4.6853 5.3610 5.3610 5.3758 5.3758 8.2071 8.2071 8.2318 8.2318 10.4262 10.4262 10.4480 10.4480 k = 0.3889 0.4811 0.2736 ( 15674 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3162 -28.3162 -28.3162 -28.3162 -11.1964 -11.1964 -11.1902 -11.1902 -10.0969 -10.0969 -10.0860 -10.0860 -10.0420 -10.0420 -10.0404 -10.0404 -2.0752 -2.0752 -2.0594 -2.0594 4.0152 4.0152 4.0326 4.0326 4.6223 4.6223 4.6391 4.6391 5.3589 5.3589 5.3743 5.3743 8.2249 8.2249 8.2513 8.2513 10.5043 10.5043 10.5250 10.5250 k = 0.3819 0.4932 0.2736 ( 15666 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3162 -28.3162 -28.3162 -28.3162 -11.1967 -11.1967 -11.1903 -11.1903 -10.0965 -10.0965 -10.0848 -10.0848 -10.0441 -10.0441 -10.0419 -10.0419 -2.0731 -2.0731 -2.0568 -2.0568 4.0403 4.0403 4.0584 4.0584 4.5768 4.5768 4.5940 4.5940 5.3569 5.3569 5.3729 5.3729 8.2410 8.2410 8.2690 8.2690 10.5779 10.5779 10.5970 10.5970 k = 0.3750 0.5052 0.2736 ( 15650 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3161 -28.3161 -28.3161 -28.3161 -11.1970 -11.1970 -11.1905 -11.1905 -10.0962 -10.0962 -10.0836 -10.0836 -10.0460 -10.0460 -10.0433 -10.0433 -2.0712 -2.0712 -2.0544 -2.0544 4.0660 4.0660 4.0848 4.0848 4.5329 4.5329 4.5503 4.5503 5.3551 5.3551 5.3715 5.3715 8.2552 8.2552 8.2847 8.2847 10.6462 10.6462 10.6633 10.6633 k = 0.3681 0.5172 0.2736 ( 15644 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3161 -28.3161 -28.3161 -28.3161 -11.1973 -11.1973 -11.1906 -11.1906 -10.0959 -10.0959 -10.0825 -10.0825 -10.0478 -10.0478 -10.0445 -10.0445 -2.0694 -2.0694 -2.0522 -2.0522 4.0921 4.0921 4.1114 4.1114 4.4911 4.4911 4.5087 4.5087 5.3535 5.3535 5.3704 5.3704 8.2673 8.2673 8.2980 8.2980 10.7091 10.7091 10.7237 10.7237 k = 0.3611 0.5292 0.2736 ( 15638 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1976 -11.1976 -11.1907 -11.1907 -10.0956 -10.0956 -10.0815 -10.0815 -10.0493 -10.0493 -10.0455 -10.0455 -2.0679 -2.0679 -2.0503 -2.0503 4.1178 4.1178 4.1377 4.1377 4.4522 4.4522 4.4698 4.4698 5.3522 5.3522 5.3694 5.3694 8.2772 8.2772 8.3089 8.3089 10.7672 10.7672 10.7792 10.7792 k = 0.3542 0.5413 0.2736 ( 15632 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1978 -11.1978 -11.1909 -11.1909 -10.0955 -10.0955 -10.0807 -10.0807 -10.0505 -10.0505 -10.0463 -10.0463 -2.0666 -2.0666 -2.0488 -2.0488 4.1424 4.1424 4.1627 4.1627 4.4172 4.4172 4.4348 4.4348 5.3511 5.3511 5.3686 5.3686 8.2848 8.2848 8.3173 8.3173 10.8215 10.8215 10.8306 10.8306 k = 0.3472 0.5533 0.2736 ( 15624 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1979 -11.1979 -11.1909 -11.1909 -10.0954 -10.0954 -10.0802 -10.0802 -10.0515 -10.0515 -10.0468 -10.0468 -2.0657 -2.0657 -2.0477 -2.0477 4.1640 4.1640 4.1849 4.1849 4.3880 4.3880 4.4054 4.4054 5.3503 5.3503 5.3680 5.3680 8.2901 8.2901 8.3232 8.3232 10.8722 10.8722 10.8779 10.8779 k = 0.3403 0.5653 0.2736 ( 15612 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1980 -11.1980 -11.1910 -11.1910 -10.0953 -10.0953 -10.0798 -10.0798 -10.0520 -10.0520 -10.0472 -10.0472 -2.0651 -2.0651 -2.0470 -2.0470 4.1796 4.1796 4.2010 4.2010 4.3678 4.3678 4.3849 4.3849 5.3498 5.3498 5.3676 5.3676 8.2931 8.2931 8.3266 8.3266 10.9161 10.9161 10.9173 10.9173 k = 0.3333 0.5774 0.2736 ( 15636 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3159 -28.3159 -28.3159 -28.3159 -11.1981 -11.1981 -11.1910 -11.1910 -10.0953 -10.0953 -10.0797 -10.0797 -10.0522 -10.0522 -10.0473 -10.0473 -2.0649 -2.0649 -2.0467 -2.0467 4.1855 4.1855 4.2070 4.2070 4.3604 4.3604 4.3774 4.3774 5.3497 5.3497 5.3675 5.3675 8.2941 8.2941 8.3277 8.3277 10.9352 10.9352 10.9375 10.9375 k = 0.3333 0.5774 0.2736 ( 15636 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3159 -28.3159 -28.3159 -28.3159 -11.1981 -11.1981 -11.1910 -11.1910 -10.0953 -10.0953 -10.0797 -10.0797 -10.0522 -10.0522 -10.0473 -10.0473 -2.0649 -2.0649 -2.0467 -2.0467 4.1855 4.1855 4.2070 4.2070 4.3604 4.3604 4.3774 4.3774 5.3497 5.3497 5.3675 5.3675 8.2941 8.2941 8.3277 8.3277 10.9352 10.9352 10.9375 10.9375 k = 0.3264 0.5653 0.2736 ( 15620 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1980 -11.1980 -11.1910 -11.1910 -10.0953 -10.0953 -10.0798 -10.0798 -10.0520 -10.0520 -10.0472 -10.0472 -2.0651 -2.0651 -2.0470 -2.0470 4.1799 4.1799 4.2013 4.2013 4.3675 4.3675 4.3846 4.3846 5.3498 5.3498 5.3676 5.3676 8.2932 8.2932 8.3267 8.3267 10.9142 10.9142 10.9155 10.9155 k = 0.3194 0.5533 0.2736 ( 15632 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1979 -11.1979 -11.1909 -11.1909 -10.0953 -10.0953 -10.0801 -10.0801 -10.0515 -10.0515 -10.0469 -10.0469 -2.0658 -2.0658 -2.0478 -2.0478 4.1661 4.1661 4.1870 4.1870 4.3861 4.3861 4.4034 4.4034 5.3503 5.3503 5.3680 5.3680 8.2907 8.2907 8.3238 8.3238 10.8627 10.8627 10.8682 10.8682 k = 0.3125 0.5413 0.2736 ( 15628 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1977 -11.1977 -11.1908 -11.1908 -10.0953 -10.0953 -10.0804 -10.0804 -10.0507 -10.0507 -10.0464 -10.0464 -2.0669 -2.0669 -2.0491 -2.0491 4.1482 4.1482 4.1688 4.1688 4.4118 4.4118 4.4293 4.4293 5.3511 5.3511 5.3686 5.3686 8.2868 8.2868 8.3194 8.3194 10.8010 10.8010 10.8087 10.8087 k = 0.3056 0.5292 0.2736 ( 15628 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3160 -28.3160 -28.3160 -28.3160 -11.1975 -11.1975 -11.1906 -11.1906 -10.0951 -10.0951 -10.0808 -10.0808 -10.0497 -10.0497 -10.0458 -10.0458 -2.0686 -2.0686 -2.0510 -2.0510 4.1294 4.1294 4.1495 4.1495 4.4418 4.4418 4.4593 4.4593 5.3522 5.3522 5.3694 5.3694 8.2819 8.2819 8.3138 8.3138 10.7350 10.7350 10.7437 10.7437 k = 0.2986 0.5172 0.2736 ( 15640 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3161 -28.3161 -28.3161 -28.3161 -11.1971 -11.1971 -11.1904 -11.1904 -10.0949 -10.0949 -10.0812 -10.0812 -10.0486 -10.0486 -10.0450 -10.0450 -2.0708 -2.0708 -2.0535 -2.0535 4.1112 4.1112 4.1309 4.1309 4.4744 4.4744 4.4917 4.4917 5.3535 5.3535 5.3703 5.3703 8.2764 8.2764 8.3074 8.3074 10.6666 10.6666 10.6758 10.6758 k = 0.2917 0.5052 0.2736 ( 15652 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3162 -28.3162 -28.3162 -28.3162 -11.1966 -11.1966 -11.1900 -11.1900 -10.0946 -10.0946 -10.0815 -10.0815 -10.0473 -10.0473 -10.0442 -10.0442 -2.0736 -2.0736 -2.0567 -2.0567 4.0945 4.0945 4.1139 4.1139 4.5088 4.5088 4.5258 4.5258 5.3550 5.3550 5.3715 5.3715 8.2706 8.2706 8.3006 8.3006 10.5971 10.5971 10.6063 10.6063 k = 0.2847 0.4932 0.2736 ( 15648 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3163 -28.3163 -28.3163 -28.3163 -11.1961 -11.1961 -11.1896 -11.1896 -10.0942 -10.0942 -10.0818 -10.0818 -10.0459 -10.0459 -10.0432 -10.0432 -2.0770 -2.0770 -2.0604 -2.0604 4.0798 4.0798 4.0988 4.0988 4.5443 4.5443 4.5610 4.5610 5.3568 5.3568 5.3727 5.3727 8.2649 8.2649 8.2938 8.2938 10.5270 10.5270 10.5362 10.5362 k = 0.2778 0.4811 0.2736 ( 15658 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3164 -28.3164 -28.3164 -28.3164 -11.1954 -11.1954 -11.1892 -11.1892 -10.0936 -10.0936 -10.0819 -10.0819 -10.0444 -10.0444 -10.0421 -10.0421 -2.0809 -2.0809 -2.0648 -2.0648 4.0674 4.0674 4.0860 4.0860 4.5807 4.5807 4.5969 4.5969 5.3587 5.3587 5.3740 5.3740 8.2597 8.2597 8.2874 8.2874 10.4568 10.4568 10.4658 10.4658 k = 0.2708 0.4691 0.2736 ( 15678 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3165 -28.3165 -28.3165 -28.3165 -11.1947 -11.1947 -11.1886 -11.1886 -10.0928 -10.0928 -10.0818 -10.0818 -10.0428 -10.0428 -10.0410 -10.0410 -2.0854 -2.0854 -2.0699 -2.0699 4.0574 4.0574 4.0757 4.0757 4.6178 4.6178 4.6335 4.6335 5.3606 5.3606 5.3754 5.3754 8.2554 8.2554 8.2818 8.2818 10.3868 10.3868 10.3955 10.3955 k = 0.2639 0.4571 0.2736 ( 15686 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3166 -28.3166 -28.3166 -28.3166 -11.1938 -11.1938 -11.1879 -11.1879 -10.0919 -10.0919 -10.0816 -10.0816 -10.0413 -10.0413 -10.0398 -10.0398 -2.0906 -2.0906 -2.0755 -2.0755 4.0500 4.0500 4.0679 4.0679 4.6554 4.6554 4.6705 4.6705 5.3626 5.3626 5.3767 5.3767 8.2524 8.2524 8.2773 8.2773 10.3174 10.3174 10.3258 10.3258 k = 0.2569 0.4450 0.2736 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3168 -28.3168 -28.3168 -28.3168 -11.1929 -11.1929 -11.1872 -11.1872 -10.0908 -10.0908 -10.0812 -10.0812 -10.0397 -10.0397 -10.0386 -10.0386 -2.0963 -2.0963 -2.0818 -2.0818 4.0452 4.0452 4.0626 4.0626 4.6934 4.6934 4.7078 4.7078 5.3645 5.3645 5.3779 5.3779 8.2510 8.2510 8.2745 8.2745 10.2487 10.2487 10.2569 10.2569 k = 0.2500 0.4330 0.2736 ( 15702 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1918 -11.1918 -11.1864 -11.1864 -10.0896 -10.0896 -10.0806 -10.0806 -10.0381 -10.0381 -10.0373 -10.0373 -2.1026 -2.1026 -2.0888 -2.0888 4.0430 4.0430 4.0600 4.0600 4.7318 4.7318 4.7455 4.7455 5.3664 5.3664 5.3791 5.3791 8.2516 8.2516 8.2735 8.2735 10.1811 10.1811 10.1890 10.1890 k = 0.2431 0.4210 0.2736 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3171 -28.3171 -28.3171 -28.3171 -11.1906 -11.1906 -11.1855 -11.1855 -10.0881 -10.0881 -10.0799 -10.0799 -10.0365 -10.0365 -10.0360 -10.0360 -2.1095 -2.1095 -2.0963 -2.0963 4.0433 4.0433 4.0599 4.0599 4.7704 4.7704 4.7832 4.7832 5.3682 5.3682 5.3801 5.3801 8.2545 8.2545 8.2748 8.2748 10.1148 10.1148 10.1223 10.1223 k = 0.2361 0.4090 0.2736 ( 15686 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3173 -28.3173 -28.3173 -28.3173 -11.1894 -11.1894 -11.1845 -11.1845 -10.0865 -10.0865 -10.0789 -10.0789 -10.0348 -10.0348 -10.0347 -10.0347 -2.1170 -2.1170 -2.1044 -2.1044 4.0462 4.0462 4.0623 4.0623 4.8092 4.8092 4.8211 4.8211 5.3697 5.3697 5.3810 5.3810 8.2599 8.2599 8.2788 8.2788 10.0499 10.0499 10.0571 10.0571 k = 0.2292 0.3969 0.2736 ( 15702 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3175 -28.3175 -28.3175 -28.3175 -11.1881 -11.1881 -11.1834 -11.1834 -10.0847 -10.0847 -10.0778 -10.0778 -10.0333 -10.0333 -10.0332 -10.0332 -2.1250 -2.1250 -2.1131 -2.1131 4.0515 4.0515 4.0671 4.0671 4.8481 4.8481 4.8590 4.8590 5.3712 5.3712 5.3818 5.3818 8.2683 8.2683 8.2856 8.2856 9.9866 9.9866 9.9935 9.9935 k = 0.2222 0.3849 0.2736 ( 15710 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3178 -28.3178 -28.3178 -28.3178 -11.1866 -11.1866 -11.1822 -11.1822 -10.0828 -10.0828 -10.0765 -10.0765 -10.0319 -10.0319 -10.0315 -10.0315 -2.1335 -2.1335 -2.1223 -2.1223 4.0591 4.0591 4.0743 4.0743 4.8871 4.8871 4.8969 4.8969 5.3724 5.3724 5.3824 5.3824 8.2798 8.2798 8.2955 8.2955 9.9252 9.9252 9.9317 9.9317 k = 0.2153 0.3729 0.2736 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3180 -28.3180 -28.3180 -28.3180 -11.1851 -11.1851 -11.1810 -11.1810 -10.0807 -10.0807 -10.0751 -10.0751 -10.0305 -10.0305 -10.0298 -10.0298 -2.1425 -2.1425 -2.1320 -2.1320 4.0690 4.0690 4.0837 4.0837 4.9260 4.9260 4.9346 4.9346 5.3735 5.3735 5.3831 5.3831 8.2946 8.2946 8.3088 8.3088 9.8658 9.8658 9.8719 9.8719 k = 0.2083 0.3608 0.2736 ( 15710 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3182 -28.3182 -28.3182 -28.3182 -11.1835 -11.1835 -11.1797 -11.1797 -10.0785 -10.0785 -10.0735 -10.0735 -10.0290 -10.0290 -10.0281 -10.0281 -2.1520 -2.1520 -2.1422 -2.1422 4.0809 4.0809 4.0951 4.0951 4.9649 4.9649 4.9720 4.9720 5.3746 5.3746 5.3838 5.3838 8.3129 8.3129 8.3257 8.3257 9.8085 9.8085 9.8143 9.8143 k = 0.2014 0.3488 0.2736 ( 15710 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3185 -28.3185 -28.3185 -28.3185 -11.1819 -11.1819 -11.1783 -11.1783 -10.0762 -10.0762 -10.0718 -10.0718 -10.0274 -10.0274 -10.0264 -10.0264 -2.1620 -2.1620 -2.1529 -2.1529 4.0948 4.0948 4.1085 4.1085 5.0035 5.0035 5.0091 5.0091 5.3757 5.3757 5.3848 5.3848 8.3349 8.3349 8.3463 8.3463 9.7536 9.7536 9.7591 9.7591 k = 0.1944 0.3368 0.2736 ( 15702 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3188 -28.3188 -28.3188 -28.3188 -11.1802 -11.1802 -11.1768 -11.1768 -10.0738 -10.0738 -10.0700 -10.0700 -10.0258 -10.0258 -10.0246 -10.0246 -2.1723 -2.1723 -2.1639 -2.1639 4.1104 4.1104 4.1236 4.1236 5.0418 5.0418 5.0457 5.0457 5.3771 5.3771 5.3863 5.3863 8.3607 8.3607 8.3708 8.3708 9.7012 9.7012 9.7064 9.7064 k = 0.1875 0.3248 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3190 -28.3190 -28.3190 -28.3190 -11.1784 -11.1784 -11.1753 -11.1753 -10.0714 -10.0714 -10.0681 -10.0681 -10.0241 -10.0241 -10.0227 -10.0227 -2.1830 -2.1830 -2.1752 -2.1752 4.1274 4.1274 4.1401 4.1401 5.0798 5.0798 5.0816 5.0816 5.3789 5.3789 5.3885 5.3885 8.3904 8.3904 8.3992 8.3992 9.6515 9.6515 9.6563 9.6563 k = 0.1806 0.3127 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3193 -28.3193 -28.3193 -28.3193 -11.1766 -11.1766 -11.1738 -11.1738 -10.0690 -10.0690 -10.0661 -10.0661 -10.0223 -10.0223 -10.0208 -10.0208 -2.1939 -2.1939 -2.1868 -2.1868 4.1457 4.1457 4.1578 4.1578 5.1167 5.1167 5.1171 5.1171 5.3814 5.3814 5.3917 5.3917 8.4239 8.4239 8.4315 8.4315 9.6047 9.6047 9.6091 9.6091 k = 0.1736 0.3007 0.2736 ( 15718 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3196 -28.3196 -28.3196 -28.3196 -11.1748 -11.1748 -11.1722 -11.1722 -10.0666 -10.0666 -10.0642 -10.0642 -10.0204 -10.0204 -10.0188 -10.0188 -2.2051 -2.2051 -2.1987 -2.1987 4.1649 4.1649 4.1765 4.1765 5.1506 5.1506 5.1537 5.1537 5.3849 5.3849 5.3965 5.3965 8.4612 8.4612 8.4678 8.4678 9.5608 9.5608 9.5649 9.5649 k = 0.1667 0.2887 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3199 -28.3199 -28.3199 -28.3199 -11.1729 -11.1729 -11.1706 -11.1706 -10.0642 -10.0642 -10.0622 -10.0622 -10.0183 -10.0183 -10.0167 -10.0167 -2.2166 -2.2166 -2.2107 -2.2107 4.1848 4.1848 4.1959 4.1959 5.1832 5.1832 5.1892 5.1892 5.3900 5.3900 5.4032 5.4032 8.5024 8.5024 8.5080 8.5080 9.5201 9.5201 9.5238 9.5238 k = 0.1597 0.2766 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3202 -28.3202 -28.3202 -28.3202 -11.1710 -11.1710 -11.1689 -11.1689 -10.0619 -10.0619 -10.0603 -10.0603 -10.0161 -10.0161 -10.0145 -10.0145 -2.2282 -2.2282 -2.2229 -2.2229 4.2050 4.2050 4.2155 4.2155 5.2141 5.2141 5.2234 5.2234 5.3971 5.3971 5.4124 5.4124 8.5472 8.5472 8.5521 8.5521 9.4827 9.4827 9.4860 9.4860 k = 0.1528 0.2646 0.2736 ( 15722 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3205 -28.3205 -28.3205 -28.3205 -11.1691 -11.1691 -11.1673 -11.1673 -10.0597 -10.0597 -10.0584 -10.0584 -10.0138 -10.0138 -10.0122 -10.0122 -2.2398 -2.2398 -2.2351 -2.2351 4.2252 4.2252 4.2350 4.2350 5.2431 5.2431 5.2558 5.2558 5.4068 5.4068 5.4244 5.4244 8.5956 8.5956 8.5997 8.5997 9.4486 9.4486 9.4515 9.4515 k = 0.1458 0.2526 0.2736 ( 15706 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3208 -28.3208 -28.3208 -28.3208 -11.1673 -11.1673 -11.1656 -11.1656 -10.0576 -10.0576 -10.0566 -10.0566 -10.0114 -10.0114 -10.0098 -10.0098 -2.2516 -2.2516 -2.2474 -2.2474 4.2451 4.2451 4.2542 4.2542 5.2703 5.2703 5.2863 5.2863 5.4196 5.4196 5.4395 5.4395 8.6473 8.6473 8.6509 8.6509 9.4181 9.4181 9.4206 9.4206 k = 0.1389 0.2406 0.2736 ( 15704 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3211 -28.3211 -28.3211 -28.3211 -11.1654 -11.1654 -11.1640 -11.1640 -10.0557 -10.0557 -10.0549 -10.0549 -10.0087 -10.0087 -10.0072 -10.0072 -2.2633 -2.2633 -2.2596 -2.2596 4.2642 4.2642 4.2727 4.2727 5.2958 5.2958 5.3144 5.3144 5.4360 5.4360 5.4576 5.4576 8.7021 8.7021 8.7052 8.7052 9.3912 9.3912 9.3932 9.3932 k = 0.1319 0.2285 0.2736 ( 15712 PWs) bands (ev): -39.1314 -39.1314 -39.1314 -39.1314 -28.3214 -28.3214 -28.3214 -28.3214 -11.1636 -11.1636 -11.1623 -11.1623 -10.0539 -10.0539 -10.0533 -10.0533 -10.0060 -10.0060 -10.0046 -10.0046 -2.2749 -2.2749 -2.2717 -2.2717 4.2823 4.2823 4.2900 4.2900 5.3203 5.3203 5.3405 5.3405 5.4558 5.4558 5.4785 5.4785 8.7596 8.7596 8.7625 8.7625 9.3679 9.3679 9.3696 9.3696 k = 0.1250 0.2165 0.2736 ( 15712 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3217 -28.3217 -28.3217 -28.3217 -11.1618 -11.1618 -11.1607 -11.1607 -10.0523 -10.0523 -10.0519 -10.0519 -10.0031 -10.0031 -10.0018 -10.0018 -2.2864 -2.2864 -2.2836 -2.2836 4.2990 4.2990 4.3060 4.3060 5.3443 5.3443 5.3652 5.3652 5.4787 5.4787 5.5014 5.5014 8.8196 8.8196 8.8223 8.8223 9.3485 9.3485 9.3496 9.3496 k = 0.1181 0.2045 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3220 -28.3220 -28.3220 -28.3220 -11.1601 -11.1601 -11.1591 -11.1591 -10.0508 -10.0508 -10.0505 -10.0505 -10.0002 -10.0002 -9.9990 -9.9990 -2.2977 -2.2977 -2.2953 -2.2953 4.3142 4.3142 4.3204 4.3204 5.3687 5.3687 5.3894 5.3894 5.5036 5.5036 5.5257 5.5257 8.8816 8.8816 8.8843 8.8843 9.3328 9.3328 9.3335 9.3335 k = 0.1111 0.1925 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3223 -28.3223 -28.3223 -28.3223 -11.1584 -11.1584 -11.1576 -11.1576 -10.0495 -10.0495 -10.0493 -10.0493 -9.9972 -9.9972 -9.9961 -9.9961 -2.3087 -2.3087 -2.3067 -2.3067 4.3276 4.3276 4.3330 4.3330 5.3941 5.3941 5.4140 5.4140 5.5297 5.5297 5.5506 5.5506 8.9449 8.9449 8.9478 8.9478 9.3209 9.3209 9.3211 9.3211 k = 0.1042 0.1804 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3226 -28.3226 -28.3226 -28.3226 -11.1567 -11.1567 -11.1561 -11.1561 -10.0483 -10.0483 -10.0482 -10.0482 -9.9941 -9.9941 -9.9932 -9.9932 -2.3194 -2.3194 -2.3178 -2.3178 4.3391 4.3391 4.3438 4.3438 5.4208 5.4208 5.4396 5.4396 5.5561 5.5561 5.5757 5.5757 9.0091 9.0091 9.0122 9.0122 9.3125 9.3125 9.3128 9.3128 k = 0.0972 0.1684 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3229 -28.3229 -28.3229 -28.3229 -11.1552 -11.1552 -11.1546 -11.1546 -10.0473 -10.0473 -10.0473 -10.0473 -9.9910 -9.9910 -9.9903 -9.9903 -2.3298 -2.3298 -2.3284 -2.3284 4.3487 4.3487 4.3527 4.3527 5.4490 5.4490 5.4665 5.4665 5.5823 5.5823 5.6004 5.6004 9.0733 9.0733 9.0769 9.0769 9.3076 9.3076 9.3085 9.3085 k = 0.0903 0.1564 0.2736 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3231 -28.3231 -28.3231 -28.3231 -11.1537 -11.1537 -11.1533 -11.1533 -10.0464 -10.0464 -10.0464 -10.0464 -9.9880 -9.9880 -9.9874 -9.9874 -2.3397 -2.3397 -2.3386 -2.3386 4.3565 4.3565 4.3598 4.3598 5.4787 5.4787 5.4948 5.4948 5.6078 5.6078 5.6245 5.6245 9.1366 9.1366 9.1409 9.1409 9.3063 9.3063 9.3079 9.3079 k = 0.0833 0.1443 0.2736 ( 15712 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3234 -28.3234 -28.3234 -28.3234 -11.1523 -11.1523 -11.1520 -11.1520 -10.0456 -10.0456 -10.0456 -10.0456 -9.9851 -9.9851 -9.9845 -9.9845 -2.3491 -2.3491 -2.3482 -2.3482 4.3625 4.3625 4.3652 4.3652 5.5096 5.5096 5.5244 5.5244 5.6324 5.6324 5.6475 5.6475 9.1979 9.1979 9.2032 9.2032 9.3085 9.3085 9.3109 9.3109 k = 0.0764 0.1323 0.2736 ( 15720 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3236 -28.3236 -28.3236 -28.3236 -11.1510 -11.1510 -11.1507 -11.1507 -10.0450 -10.0450 -10.0450 -10.0450 -9.9822 -9.9822 -9.9818 -9.9818 -2.3580 -2.3580 -2.3573 -2.3573 4.3670 4.3670 4.3691 4.3691 5.5414 5.5414 5.5548 5.5548 5.6556 5.6556 5.6693 5.6693 9.2558 9.2558 9.2627 9.2627 9.3140 9.3140 9.3177 9.3177 k = 0.0694 0.1203 0.2736 ( 15724 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3238 -28.3238 -28.3238 -28.3238 -11.1498 -11.1498 -11.1496 -11.1496 -10.0444 -10.0444 -10.0444 -10.0444 -9.9795 -9.9795 -9.9792 -9.9792 -2.3663 -2.3663 -2.3658 -2.3658 4.3700 4.3700 4.3716 4.3716 5.5737 5.5737 5.5857 5.5857 5.6775 5.6775 5.6897 5.6897 9.3061 9.3061 9.3161 9.3161 9.3247 9.3247 9.3309 9.3309 k = 0.0625 0.1083 0.2736 ( 15724 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3240 -28.3240 -28.3240 -28.3240 -11.1487 -11.1487 -11.1486 -11.1486 -10.0439 -10.0439 -10.0439 -10.0439 -9.9769 -9.9769 -9.9767 -9.9767 -2.3740 -2.3740 -2.3736 -2.3736 4.3719 4.3719 4.3731 4.3731 5.6057 5.6057 5.6163 5.6163 5.6978 5.6978 5.7086 5.7086 9.3322 9.3322 9.3328 9.3328 9.3658 9.3658 9.3696 9.3696 k = 0.0556 0.0962 0.2736 ( 15728 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3242 -28.3242 -28.3242 -28.3242 -11.1477 -11.1477 -11.1476 -11.1476 -10.0435 -10.0435 -10.0435 -10.0435 -9.9746 -9.9746 -9.9744 -9.9744 -2.3810 -2.3810 -2.3807 -2.3807 4.3728 4.3728 4.3737 4.3737 5.6369 5.6369 5.6462 5.6462 5.7164 5.7164 5.7258 5.7258 9.3463 9.3463 9.3479 9.3479 9.4070 9.4070 9.4137 9.4137 k = 0.0486 0.0842 0.2736 ( 15732 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3243 -28.3243 -28.3243 -28.3243 -11.1468 -11.1468 -11.1468 -11.1468 -10.0431 -10.0431 -10.0431 -10.0431 -9.9724 -9.9724 -9.9723 -9.9723 -2.3873 -2.3873 -2.3871 -2.3871 4.3730 4.3730 4.3736 4.3736 5.6666 5.6666 5.6744 5.6744 5.7334 5.7334 5.7413 5.7413 9.3615 9.3615 9.3638 9.3638 9.4426 9.4426 9.4509 9.4509 k = 0.0417 0.0722 0.2736 ( 15740 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3245 -28.3245 -28.3245 -28.3245 -11.1461 -11.1461 -11.1460 -11.1460 -10.0428 -10.0428 -10.0428 -10.0428 -9.9705 -9.9705 -9.9705 -9.9705 -2.3928 -2.3928 -2.3927 -2.3927 4.3728 4.3728 4.3731 4.3731 5.6939 5.6939 5.7002 5.7002 5.7487 5.7487 5.7551 5.7551 9.3778 9.3778 9.3806 9.3806 9.4711 9.4711 9.4806 9.4806 k = 0.0347 0.0601 0.2736 ( 15748 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3246 -28.3246 -28.3246 -28.3246 -11.1454 -11.1454 -11.1454 -11.1454 -10.0425 -10.0425 -10.0425 -10.0425 -9.9689 -9.9689 -9.9688 -9.9688 -2.3975 -2.3975 -2.3975 -2.3975 4.3722 4.3722 4.3724 4.3724 5.7181 5.7181 5.7228 5.7228 5.7624 5.7624 5.7672 5.7672 9.3945 9.3945 9.3973 9.3973 9.4923 9.4923 9.5029 9.5029 k = 0.0278 0.0481 0.2736 ( 15724 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3247 -28.3247 -28.3247 -28.3247 -11.1449 -11.1449 -11.1448 -11.1448 -10.0424 -10.0424 -10.0424 -10.0424 -9.9675 -9.9675 -9.9675 -9.9675 -2.4014 -2.4014 -2.4014 -2.4014 4.3714 4.3714 4.3715 4.3715 5.7383 5.7383 5.7414 5.7414 5.7747 5.7747 5.7778 5.7778 9.4106 9.4106 9.4132 9.4132 9.5066 9.5066 9.5180 9.5180 k = 0.0208 0.0361 0.2736 ( 15720 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3248 -28.3248 -28.3248 -28.3248 -11.1444 -11.1444 -11.1444 -11.1444 -10.0422 -10.0422 -10.0422 -10.0422 -9.9664 -9.9664 -9.9664 -9.9664 -2.4045 -2.4045 -2.4045 -2.4045 4.3707 4.3707 4.3708 4.3708 5.7539 5.7539 5.7555 5.7555 5.7853 5.7853 5.7868 5.7868 9.4248 9.4248 9.4267 9.4267 9.5147 9.5147 9.5269 9.5269 k = 0.0139 0.0241 0.2736 ( 15722 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3248 -28.3248 -28.3248 -28.3248 -11.1441 -11.1441 -11.1441 -11.1441 -10.0421 -10.0421 -10.0421 -10.0421 -9.9657 -9.9657 -9.9657 -9.9657 -2.4067 -2.4067 -2.4067 -2.4067 4.3701 4.3701 4.3701 4.3701 5.7646 5.7646 5.7651 5.7651 5.7937 5.7937 5.7942 5.7942 9.4355 9.4355 9.4364 9.4364 9.5179 9.5179 9.5302 9.5302 k = 0.0069 0.0120 0.2736 ( 15702 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3249 -28.3249 -28.3249 -28.3249 -11.1440 -11.1440 -11.1440 -11.1440 -10.0420 -10.0420 -10.0420 -10.0420 -9.9652 -9.9652 -9.9652 -9.9652 -2.4080 -2.4080 -2.4080 -2.4080 4.3697 4.3697 4.3697 4.3697 5.7706 5.7706 5.7706 5.7706 5.7991 5.7991 5.7992 5.7992 9.4413 9.4413 9.4415 9.4415 9.5178 9.5178 9.5195 9.5195 k = 0.0000 0.0000 0.2736 ( 15696 PWs) bands (ev): -39.1315 -39.1315 -39.1315 -39.1315 -28.3249 -28.3249 -28.3249 -28.3249 -11.1439 -11.1439 -11.1439 -11.1439 -10.0420 -10.0420 -10.0420 -10.0420 -9.9650 -9.9650 -9.9650 -9.9650 -2.4085 -2.4085 -2.4085 -2.4085 4.3696 4.3696 4.3696 4.3696 5.7725 5.7725 5.7725 5.7725 5.8010 5.8010 5.8010 5.8010 9.4429 9.4429 9.4429 9.4429 9.5169 9.5169 9.5169 9.5169 k = 0.5000 0.2887 0.2736 ( 15688 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3169 -28.3169 -11.1905 -11.1905 -11.1905 -11.1905 -10.1012 -10.1012 -10.1012 -10.1012 -10.0191 -10.0191 -10.0191 -10.0191 -2.0967 -2.0967 -2.0967 -2.0967 3.8034 3.8034 3.8034 3.8034 5.1670 5.1670 5.1670 5.1670 5.3899 5.3899 5.3899 5.3899 7.9697 7.9697 7.9697 7.9697 9.6121 9.6121 9.6121 9.6121 k = 0.5000 0.2887 0.2600 ( 15692 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3174 -28.3174 -28.3164 -28.3164 -11.1922 -11.1922 -11.1889 -11.1889 -10.1025 -10.1025 -10.1002 -10.1002 -10.0223 -10.0223 -10.0156 -10.0156 -2.1077 -2.1077 -2.0858 -2.0858 3.7674 3.7674 3.8403 3.8403 5.1472 5.1472 5.1869 5.1869 5.3856 5.3856 5.3920 5.3920 7.9602 7.9602 7.9773 7.9773 9.6104 9.6104 9.6239 9.6239 k = 0.5000 0.2887 0.2463 ( 15704 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3179 -28.3179 -28.3159 -28.3159 -11.1938 -11.1938 -11.1874 -11.1874 -10.1042 -10.1042 -10.0995 -10.0995 -10.0250 -10.0250 -10.0117 -10.0117 -2.1186 -2.1186 -2.0749 -2.0749 3.7326 3.7326 3.8782 3.8782 5.1276 5.1276 5.2067 5.2067 5.3790 5.3790 5.3922 5.3922 7.9486 7.9486 7.9836 7.9836 9.6194 9.6194 9.6451 9.6451 k = 0.5000 0.2887 0.2326 ( 15710 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3184 -28.3184 -28.3155 -28.3155 -11.1955 -11.1955 -11.1859 -11.1859 -10.1062 -10.1062 -10.0991 -10.0991 -10.0272 -10.0272 -10.0075 -10.0075 -2.1294 -2.1294 -2.0641 -2.0641 3.6990 3.6990 3.9170 3.9170 5.1083 5.1083 5.2263 5.2263 5.3698 5.3698 5.3907 5.3907 7.9345 7.9345 7.9892 7.9892 9.6392 9.6392 9.6748 9.6748 k = 0.5000 0.2887 0.2189 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3189 -28.3189 -28.3150 -28.3150 -11.1972 -11.1972 -11.1844 -11.1844 -10.1085 -10.1085 -10.0989 -10.0989 -10.0291 -10.0291 -10.0031 -10.0031 -2.1399 -2.1399 -2.0535 -2.0535 3.6667 3.6667 3.9565 3.9565 5.0895 5.0895 5.2456 5.2456 5.3579 5.3579 5.3878 5.3878 7.9181 7.9181 7.9947 7.9947 9.6696 9.6696 9.7120 9.7120 k = 0.5000 0.2887 0.2052 ( 15704 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3194 -28.3194 -28.3145 -28.3145 -11.1989 -11.1989 -11.1831 -11.1831 -10.1111 -10.1111 -10.0990 -10.0990 -10.0304 -10.0304 -9.9985 -9.9985 -2.1502 -2.1502 -2.0432 -2.0432 3.6357 3.6357 3.9967 3.9967 5.0713 5.0713 5.2642 5.2642 5.3434 5.3434 5.3839 5.3839 7.8995 7.8995 8.0008 8.0008 9.7102 9.7102 9.7556 9.7556 k = 0.5000 0.2887 0.1915 ( 15712 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3198 -28.3198 -28.3140 -28.3140 -11.2005 -11.2005 -11.1818 -11.1818 -10.1138 -10.1138 -10.0993 -10.0993 -10.0315 -10.0315 -9.9939 -9.9939 -2.1601 -2.1601 -2.0331 -2.0331 3.6062 3.6062 4.0375 4.0375 5.0538 5.0538 5.2817 5.2817 5.3264 5.3264 5.3793 5.3793 7.8791 7.8791 8.0080 8.0080 9.7602 9.7602 9.8047 9.8047 k = 0.5000 0.2887 0.1779 ( 15710 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3203 -28.3203 -28.3136 -28.3136 -11.2021 -11.2021 -11.1806 -11.1806 -10.1166 -10.1166 -10.0997 -10.0997 -10.0322 -10.0322 -9.9892 -9.9892 -2.1697 -2.1697 -2.0235 -2.0235 3.5782 3.5782 4.0788 4.0788 5.0370 5.0370 5.2942 5.2942 5.3105 5.3105 5.3744 5.3744 7.8573 7.8573 8.0166 8.0166 9.8181 9.8181 9.8585 9.8585 k = 0.5000 0.2887 0.1642 ( 15710 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3207 -28.3207 -28.3132 -28.3132 -11.2037 -11.2037 -11.1794 -11.1794 -10.1194 -10.1194 -10.1002 -10.1002 -10.0326 -10.0326 -9.9847 -9.9847 -2.1788 -2.1788 -2.0144 -2.0144 3.5518 3.5518 4.1204 4.1204 5.0210 5.0210 5.2794 5.2794 5.3176 5.3176 5.3699 5.3699 7.8347 7.8347 8.0268 8.0268 9.8811 9.8811 9.9180 9.9180 k = 0.5000 0.2887 0.1505 ( 15720 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3211 -28.3211 -28.3128 -28.3128 -11.2052 -11.2052 -11.1784 -11.1784 -10.1222 -10.1222 -10.1007 -10.1007 -10.0328 -10.0328 -9.9802 -9.9802 -2.1873 -2.1873 -2.0057 -2.0057 3.5272 3.5272 4.1623 4.1623 5.0061 5.0061 5.2545 5.2545 5.3294 5.3294 5.3673 5.3673 7.8119 7.8119 8.0385 8.0385 9.9437 9.9437 9.9863 9.9863 k = 0.5000 0.2887 0.1368 ( 15704 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3215 -28.3215 -28.3124 -28.3124 -11.2067 -11.2067 -11.1774 -11.1774 -10.1250 -10.1250 -10.1014 -10.1014 -10.0328 -10.0328 -9.9759 -9.9759 -2.1954 -2.1954 -1.9976 -1.9976 3.5044 3.5044 4.2042 4.2042 4.9921 4.9921 5.2268 5.2268 5.3362 5.3362 5.3693 5.3693 7.7893 7.7893 8.0518 8.0518 10.0021 10.0021 10.0652 10.0652 k = 0.5000 0.2887 0.1231 ( 15694 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3218 -28.3218 -28.3121 -28.3121 -11.2080 -11.2080 -11.1766 -11.1766 -10.1276 -10.1276 -10.1020 -10.1020 -10.0327 -10.0327 -9.9719 -9.9719 -2.2028 -2.2028 -1.9901 -1.9901 3.4835 3.4835 4.2460 4.2460 4.9792 4.9792 5.1970 5.1970 5.3365 5.3365 5.3770 5.3770 7.7675 7.7675 8.0662 8.0662 10.0561 10.0561 10.1528 10.1528 k = 0.5000 0.2887 0.1095 ( 15706 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3221 -28.3221 -28.3118 -28.3118 -11.2093 -11.2093 -11.1758 -11.1758 -10.1301 -10.1301 -10.1026 -10.1026 -10.0326 -10.0326 -9.9682 -9.9682 -2.2095 -2.2095 -1.9832 -1.9832 3.4646 3.4646 4.2872 4.2872 4.9675 4.9675 5.1656 5.1656 5.3335 5.3335 5.3872 5.3872 7.7468 7.7468 8.0814 8.0814 10.1058 10.1058 10.2467 10.2467 k = 0.5000 0.2887 0.0958 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3224 -28.3224 -28.3115 -28.3115 -11.2104 -11.2104 -11.1751 -11.1751 -10.1323 -10.1323 -10.1032 -10.1032 -10.0323 -10.0323 -9.9648 -9.9648 -2.2156 -2.2156 -1.9771 -1.9771 3.4477 3.4477 4.3276 4.3276 4.9571 4.9571 5.1334 5.1334 5.3294 5.3294 5.3976 5.3976 7.7277 7.7277 8.0969 8.0969 10.1508 10.1508 10.3456 10.3456 k = 0.5000 0.2887 0.0821 ( 15714 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3226 -28.3226 -28.3113 -28.3113 -11.2114 -11.2114 -11.1745 -11.1745 -10.1343 -10.1343 -10.1037 -10.1037 -10.0321 -10.0321 -9.9617 -9.9617 -2.2209 -2.2209 -1.9717 -1.9717 3.4329 3.4329 4.3667 4.3667 4.9479 4.9479 5.1010 5.1010 5.3253 5.3253 5.4073 5.4073 7.7106 7.7106 8.1120 8.1120 10.1903 10.1903 10.4480 10.4480 k = 0.5000 0.2887 0.0684 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3228 -28.3228 -28.3110 -28.3110 -11.2123 -11.2123 -11.1740 -11.1740 -10.1361 -10.1361 -10.1042 -10.1042 -10.0319 -10.0319 -9.9591 -9.9591 -2.2255 -2.2255 -1.9670 -1.9670 3.4203 3.4203 4.4036 4.4036 4.9399 4.9399 5.0694 5.0694 5.3215 5.3215 5.4158 5.4158 7.6956 7.6956 8.1262 8.1262 10.2240 10.2240 10.5527 10.5527 k = 0.5000 0.2887 0.0547 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3230 -28.3230 -28.3109 -28.3109 -11.2130 -11.2130 -11.1736 -11.1736 -10.1375 -10.1375 -10.1046 -10.1046 -10.0316 -10.0316 -9.9569 -9.9569 -2.2293 -2.2293 -1.9632 -1.9632 3.4099 3.4099 4.4374 4.4374 4.9334 4.9334 5.0397 5.0397 5.3182 5.3182 5.4229 5.4229 7.6831 7.6831 8.1388 8.1388 10.2515 10.2515 10.6579 10.6579 k = 0.5000 0.2887 0.0410 ( 15716 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3231 -28.3231 -28.3107 -28.3107 -11.2136 -11.2136 -11.1733 -11.1733 -10.1387 -10.1387 -10.1049 -10.1049 -10.0314 -10.0314 -9.9552 -9.9552 -2.2323 -2.2323 -1.9602 -1.9602 3.4017 3.4017 4.4667 4.4667 4.9281 4.9281 5.0135 5.0135 5.3155 5.3155 5.4286 5.4286 7.6731 7.6731 8.1493 8.1493 10.2726 10.2726 10.7606 10.7606 k = 0.5000 0.2887 0.0274 ( 15720 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3232 -28.3232 -28.3106 -28.3106 -11.2140 -11.2140 -11.1730 -11.1730 -10.1395 -10.1395 -10.1051 -10.1051 -10.0313 -10.0313 -9.9540 -9.9540 -2.2344 -2.2344 -1.9580 -1.9580 3.3959 3.3959 4.4899 4.4899 4.9243 4.9243 4.9926 4.9926 5.3136 5.3136 5.4326 5.4326 7.6659 7.6659 8.1572 8.1572 10.2874 10.2875 10.8551 10.8551 k = 0.5000 0.2887 0.0137 ( 15726 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2142 -11.2142 -11.1729 -11.1729 -10.1400 -10.1400 -10.1052 -10.1052 -10.0312 -10.0312 -9.9532 -9.9532 -2.2357 -2.2357 -1.9567 -1.9567 3.3924 3.3924 4.5049 4.5049 4.9219 4.9219 4.9790 4.9790 5.3124 5.3124 5.4351 5.4351 7.6616 7.6616 8.1621 8.1621 10.2963 10.2963 10.9290 10.9290 k = 0.5000 0.2887-0.0000 ( 15746 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3233 -28.3233 -28.3106 -28.3106 -11.2143 -11.2143 -11.1729 -11.1729 -10.1402 -10.1402 -10.1053 -10.1053 -10.0312 -10.0312 -9.9529 -9.9529 -2.2361 -2.2361 -1.9563 -1.9563 3.3912 3.3912 4.5101 4.5101 4.9210 4.9210 4.9742 4.9742 5.3120 5.3120 5.4359 5.4359 7.6601 7.6601 8.1638 8.1638 10.2992 10.2992 10.9591 10.9591 k = 0.3333 0.5774-0.0000 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2166 -11.2166 -11.1783 -11.1783 -10.1228 -10.1228 -10.1137 -10.1137 -10.0610 -10.0610 -9.9665 -9.9665 -2.0660 -2.0660 -2.0483 -2.0483 3.6231 3.6231 4.3749 4.3749 4.3845 4.3845 4.8729 4.8729 5.2534 5.2534 5.2899 5.2899 9.0252 9.0252 9.0502 9.0502 9.8590 9.8590 9.8834 9.8834 k = 0.3333 0.5774 0.0137 ( 15705 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3223 -28.3223 -28.3096 -28.3096 -11.2165 -11.2165 -11.1784 -11.1784 -10.1226 -10.1226 -10.1137 -10.1137 -10.0611 -10.0611 -9.9668 -9.9668 -2.0660 -2.0660 -2.0483 -2.0483 3.6248 3.6248 4.3748 4.3748 4.3845 4.3845 4.8706 4.8706 5.2539 5.2539 5.2903 5.2903 9.0164 9.0164 9.0412 9.0412 9.8699 9.8699 9.8940 9.8940 k = 0.3333 0.5774 0.0274 ( 15711 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3222 -28.3222 -28.3097 -28.3097 -11.2163 -11.2163 -11.1785 -11.1785 -10.1220 -10.1220 -10.1134 -10.1134 -10.0613 -10.0613 -9.9676 -9.9676 -2.0659 -2.0659 -2.0483 -2.0483 3.6298 3.6298 4.3744 4.3744 4.3843 4.3843 4.8637 4.8637 5.2556 5.2556 5.2917 5.2917 8.9912 8.9912 9.0156 9.0156 9.9010 9.9010 9.9246 9.9246 k = 0.3333 0.5774 0.0410 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3221 -28.3221 -28.3098 -28.3098 -11.2159 -11.2159 -11.1787 -11.1787 -10.1209 -10.1209 -10.1131 -10.1131 -10.0617 -10.0617 -9.9690 -9.9690 -2.0659 -2.0659 -2.0483 -2.0483 3.6381 3.6381 4.3739 4.3739 4.3841 4.3841 4.8523 4.8523 5.2583 5.2583 5.2939 5.2939 8.9530 8.9530 8.9769 8.9769 9.9489 9.9489 9.9718 9.9718 k = 0.3333 0.5774 0.0547 ( 15708 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3220 -28.3220 -28.3099 -28.3099 -11.2154 -11.2154 -11.1790 -11.1790 -10.1195 -10.1195 -10.1126 -10.1126 -10.0622 -10.0622 -9.9708 -9.9708 -2.0659 -2.0659 -2.0482 -2.0482 3.6496 3.6496 4.3731 4.3731 4.3838 4.3838 4.8365 4.8365 5.2620 5.2620 5.2970 5.2970 8.9056 8.9056 8.9292 8.9292 10.0094 10.0094 10.0318 10.0318 k = 0.3333 0.5774 0.0684 ( 15696 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3218 -28.3218 -28.3101 -28.3101 -11.2148 -11.2148 -11.1793 -11.1793 -10.1176 -10.1176 -10.1119 -10.1119 -10.0628 -10.0628 -9.9732 -9.9732 -2.0658 -2.0658 -2.0481 -2.0481 3.6644 3.6644 4.3722 4.3722 4.3835 4.3835 4.8164 4.8164 5.2667 5.2667 5.3008 5.3008 8.8524 8.8524 8.8760 8.8760 10.0790 10.0790 10.1010 10.1010 k = 0.3333 0.5774 0.0821 ( 15699 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3216 -28.3216 -28.3103 -28.3103 -11.2140 -11.2140 -11.1798 -11.1798 -10.1154 -10.1154 -10.1112 -10.1112 -10.0636 -10.0636 -9.9761 -9.9761 -2.0657 -2.0657 -2.0480 -2.0480 3.6823 3.6823 4.3711 4.3711 4.3830 4.3830 4.7924 4.7924 5.2722 5.2722 5.3052 5.3052 8.7962 8.7962 8.8200 8.8200 10.1550 10.1550 10.1766 10.1766 k = 0.3333 0.5774 0.0958 ( 15696 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3214 -28.3214 -28.3105 -28.3105 -11.2131 -11.2131 -11.1803 -11.1803 -10.1127 -10.1127 -10.1103 -10.1103 -10.0646 -10.0646 -9.9794 -9.9794 -2.0657 -2.0657 -2.0479 -2.0479 3.7034 3.7034 4.3699 4.3699 4.3825 4.3825 4.7645 4.7645 5.2784 5.2784 5.3103 5.3103 8.7388 8.7388 8.7632 8.7632 10.2352 10.2352 10.2541 10.2541 k = 0.3333 0.5774 0.1095 ( 15681 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3211 -28.3211 -28.3108 -28.3108 -11.2121 -11.2121 -11.1809 -11.1809 -10.1097 -10.1097 -10.1092 -10.1092 -10.0656 -10.0656 -9.9832 -9.9832 -2.0656 -2.0656 -2.0478 -2.0478 3.7274 3.7274 4.3686 4.3686 4.3820 4.3820 4.7331 4.7331 5.2852 5.2852 5.3158 5.3158 8.6820 8.6820 8.7071 8.7071 10.3002 10.3002 10.3181 10.3181 k = 0.3333 0.5774 0.1231 ( 15657 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3208 -28.3208 -28.3111 -28.3111 -11.2109 -11.2109 -11.1815 -11.1815 -10.1081 -10.1081 -10.1063 -10.1063 -10.0668 -10.0668 -9.9874 -9.9874 -2.0655 -2.0655 -2.0477 -2.0477 3.7542 3.7542 4.3672 4.3672 4.3815 4.3815 4.6985 4.6985 5.2925 5.2925 5.3216 5.3216 8.6267 8.6267 8.6526 8.6526 10.3374 10.3374 10.4026 10.4026 k = 0.3333 0.5774 0.1368 ( 15660 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3204 -28.3204 -28.3114 -28.3114 -11.2097 -11.2097 -11.1823 -11.1823 -10.1069 -10.1069 -10.1025 -10.1025 -10.0680 -10.0680 -9.9919 -9.9919 -2.0654 -2.0654 -2.0475 -2.0475 3.7839 3.7839 4.3658 4.3658 4.3809 4.3809 4.6610 4.6610 5.3000 5.3000 5.3277 5.3277 8.5739 8.5739 8.6008 8.6008 10.3782 10.3782 10.4874 10.4874 k = 0.3333 0.5774 0.1505 ( 15666 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3201 -28.3201 -28.3118 -28.3118 -11.2085 -11.2085 -11.1831 -11.1831 -10.1056 -10.1056 -10.0984 -10.0984 -10.0693 -10.0693 -9.9968 -9.9968 -2.0653 -2.0653 -2.0474 -2.0474 3.8161 3.8161 4.3643 4.3643 4.3803 4.3803 4.6209 4.6209 5.3076 5.3076 5.3337 5.3337 8.5243 8.5243 8.5522 8.5522 10.4227 10.4227 10.5717 10.5717 k = 0.3333 0.5774 0.1642 ( 15660 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3197 -28.3197 -28.3122 -28.3122 -11.2071 -11.2071 -11.1840 -11.1840 -10.1042 -10.1042 -10.0940 -10.0940 -10.0707 -10.0707 -10.0020 -10.0020 -2.0652 -2.0652 -2.0473 -2.0473 3.8509 3.8509 4.3629 4.3629 4.3798 4.3798 4.5787 4.5787 5.3150 5.3150 5.3397 5.3397 8.4785 8.4785 8.5074 8.5074 10.4709 10.4709 10.6545 10.6545 k = 0.3333 0.5774 0.1779 ( 15657 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3193 -28.3193 -28.3126 -28.3126 -11.2058 -11.2058 -11.1849 -11.1849 -10.1028 -10.1028 -10.0892 -10.0892 -10.0722 -10.0722 -10.0075 -10.0075 -2.0652 -2.0652 -2.0472 -2.0472 3.8879 3.8879 4.3615 4.3615 4.3793 4.3793 4.5347 4.5347 5.3222 5.3222 5.3455 5.3455 8.4370 8.4370 8.4668 8.4668 10.5226 10.5226 10.7348 10.7348 k = 0.3333 0.5774 0.1915 ( 15669 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3188 -28.3188 -28.3131 -28.3131 -11.2044 -11.2044 -11.1859 -11.1859 -10.1013 -10.1013 -10.0842 -10.0842 -10.0737 -10.0737 -10.0131 -10.0131 -2.0651 -2.0651 -2.0471 -2.0471 3.9271 3.9271 4.3599 4.3599 4.3788 4.3788 4.4892 4.4892 5.3288 5.3288 5.3508 5.3508 8.4002 8.4002 8.4309 8.4309 10.5775 10.5775 10.8113 10.8113 k = 0.3333 0.5774 0.2052 ( 15657 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3184 -28.3184 -28.3135 -28.3135 -11.2030 -11.2030 -11.1870 -11.1870 -10.0999 -10.0999 -10.0790 -10.0790 -10.0751 -10.0751 -10.0190 -10.0190 -2.0650 -2.0650 -2.0470 -2.0470 3.9683 3.9683 4.3581 4.3581 4.3784 4.3784 4.4431 4.4431 5.3348 5.3348 5.3556 5.3556 8.3684 8.3684 8.3999 8.3999 10.6352 10.6352 10.8827 10.8827 k = 0.3333 0.5774 0.2189 ( 15639 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3179 -28.3179 -28.3140 -28.3140 -11.2016 -11.2016 -11.1880 -11.1880 -10.0985 -10.0985 -10.0765 -10.0765 -10.0735 -10.0735 -10.0250 -10.0250 -2.0650 -2.0650 -2.0469 -2.0469 4.0112 4.0112 4.3543 4.3543 4.3781 4.3781 4.3982 4.3982 5.3399 5.3399 5.3597 5.3597 8.3420 8.3420 8.3742 8.3742 10.6952 10.6952 10.9470 10.9470 k = 0.3333 0.5774 0.2326 ( 15633 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3174 -28.3174 -28.3145 -28.3145 -11.2003 -11.2003 -11.1891 -11.1891 -10.0973 -10.0973 -10.0777 -10.0777 -10.0679 -10.0679 -10.0310 -10.0310 -2.0649 -2.0649 -2.0468 -2.0468 4.0556 4.0556 4.3352 4.3352 4.3682 4.3682 4.3778 4.3778 5.3441 5.3441 5.3630 5.3630 8.3212 8.3212 8.3540 8.3540 10.7567 10.7567 11.0019 11.0019 k = 0.3333 0.5774 0.2463 ( 15639 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3169 -28.3169 -28.3150 -28.3150 -11.1992 -11.1992 -11.1900 -11.1900 -10.0963 -10.0963 -10.0788 -10.0788 -10.0621 -10.0621 -10.0371 -10.0371 -2.0649 -2.0649 -2.0468 -2.0468 4.1012 4.1012 4.2922 4.2922 4.3622 4.3622 4.3776 4.3776 5.3472 5.3472 5.3655 5.3655 8.3062 8.3062 8.3395 8.3395 10.8185 10.8185 11.0260 11.0260 k = 0.3333 0.5774 0.2600 ( 15621 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3164 -28.3164 -28.3154 -28.3154 -11.1984 -11.1984 -11.1907 -11.1907 -10.0956 -10.0956 -10.0795 -10.0795 -10.0563 -10.0563 -10.0431 -10.0431 -2.0649 -2.0649 -2.0468 -2.0468 4.1474 4.1474 4.2454 4.2454 4.3607 4.3607 4.3774 4.3774 5.3490 5.3490 5.3670 5.3670 8.2971 8.2971 8.3307 8.3307 10.8792 10.8792 10.9867 10.9867 k = 0.3333 0.5774 0.2736 ( 15636 PWs) bands (ev): -39.1313 -39.1313 -39.1313 -39.1313 -28.3159 -28.3159 -28.3159 -28.3159 -11.1981 -11.1981 -11.1910 -11.1910 -10.0953 -10.0953 -10.0797 -10.0797 -10.0522 -10.0522 -10.0473 -10.0473 -2.0649 -2.0649 -2.0467 -2.0467 4.1855 4.1855 4.2070 4.2070 4.3604 4.3604 4.3774 4.3774 5.3497 5.3497 5.3675 5.3675 8.2941 8.2941 8.3277 8.3277 10.9352 10.9352 10.9375 10.9375 Writing output data file SrLiP.save init_run : 0.37s CPU 0.53s WALL ( 1 calls) electrons : 277.88s CPU 280.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 277.88s CPU 280.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.16s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.15s CPU 0.25s WALL ( 297 calls) cegterg : 244.66s CPU 246.65s WALL ( 420 calls) Called by sum_band: Called by *egterg: h_psi : 175.40s CPU 176.63s WALL ( 7216 calls) s_psi : 9.86s CPU 9.70s WALL ( 7216 calls) g_psi : 0.67s CPU 0.69s WALL ( 6499 calls) cdiaghg : 41.26s CPU 41.78s WALL ( 6796 calls) cegterg:over : 13.30s CPU 13.60s WALL ( 6499 calls) cegterg:upda : 15.76s CPU 15.67s WALL ( 6499 calls) cegterg:last : 7.43s CPU 7.58s WALL ( 1153 calls) cdiaghg:chol : 2.42s CPU 2.48s WALL ( 6796 calls) cdiaghg:inve : 1.34s CPU 1.42s WALL ( 6796 calls) cdiaghg:para : 2.42s CPU 2.49s WALL ( 13592 calls) Called by h_psi: h_psi:vloc : 154.17s CPU 155.24s WALL ( 7216 calls) h_psi:vnl : 20.57s CPU 20.69s WALL ( 7216 calls) add_vuspsi : 10.26s CPU 10.27s WALL ( 7216 calls) General routines calbec : 10.26s CPU 10.40s WALL ( 7216 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 146.58s CPU 147.62s WALL ( 638220 calls) davcio : 0.33s CPU 0.50s WALL ( 594 calls) Parallel routines fft_scatter : 44.66s CPU 45.40s WALL ( 638235 calls) PWSCF : 5m 9.60s CPU 5m25.65s WALL This run was terminated on: 20:42:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=