Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14: 5:31 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: ./BaLiP.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 57 57 15 3993 3993 576 Max 58 58 17 4004 4004 586 Sum 2053 2053 571 143865 143865 20905 bravais-lattice index = 14 lattice parameter (alat) = 8.5043 a.u. unit-cell volume = 1018.4880 (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)= 8.504334 celldm(2)= 1.000000 celldm(3)= 1.912073 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 1.912073 ) 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 0.522993 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Li read from file: /users/gautes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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 Ba 10.00 137.32700 Ba( 1.00) Li 3.00 6.94100 Li( 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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 ) ( 0.9560363 ) 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= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0121951 0.0070409 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0243902 0.0140817 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0365854 0.0211226 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0487805 0.0281634 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0609756 0.0352043 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0731707 0.0422451 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0853658 0.0492860 -0.0000000), wk = 0.0034483 k( 9) = ( 0.0975610 0.0563269 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1097561 0.0633677 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1219512 0.0704086 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1341463 0.0774494 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1463415 0.0844903 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1585366 0.0915311 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1707317 0.0985720 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1829268 0.1056129 -0.0000000), wk = 0.0034483 k( 17) = ( 0.1951219 0.1126537 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2073171 0.1196946 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2195122 0.1267354 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2317073 0.1337763 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2439024 0.1408171 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2560976 0.1478580 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2682927 0.1548989 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2804878 0.1619397 -0.0000000), wk = 0.0034483 k( 25) = ( 0.2926829 0.1689806 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3048781 0.1760214 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3170732 0.1830623 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3292683 0.1901031 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3414634 0.1971440 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3536585 0.2041849 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3658537 0.2112257 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3780488 0.2182666 -0.0000000), wk = 0.0034483 k( 33) = ( 0.3902439 0.2253074 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4024390 0.2323483 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4146341 0.2393891 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4268293 0.2464300 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4390244 0.2534708 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4512195 0.2605117 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4634146 0.2675526 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4756098 0.2745934 -0.0000000), wk = 0.0034483 k( 41) = ( 0.4878049 0.2816343 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 43) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4930556 0.3007033 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4791667 0.3247595 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4652778 0.3488158 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4513889 0.3728720 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4375000 0.3969283 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4236111 0.4209846 -0.0000000), wk = 0.0034483 k( 55) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0034483 k( 56) = ( 0.4097222 0.4450408 -0.0000000), wk = 0.0034483 k( 57) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3958333 0.4690971 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3819444 0.4931534 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3680556 0.5172096 -0.0000000), wk = 0.0034483 k( 63) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0034483 k( 64) = ( 0.3541667 0.5412659 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0034483 k( 66) = ( 0.3402778 0.5653221 -0.0000000), wk = 0.0034483 k( 67) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3262411 0.5650662 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3191489 0.5527822 -0.0000000), wk = 0.0034483 k( 71) = ( 0.3120567 0.5404981 -0.0000000), wk = 0.0034483 k( 72) = ( 0.3049645 0.5282141 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2978723 0.5159300 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2907801 0.5036460 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2836879 0.4913619 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2765957 0.4790779 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2695035 0.4667938 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2624113 0.4545098 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2553191 0.4422257 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2482270 0.4299417 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2411348 0.4176576 -0.0000000), wk = 0.0034483 k( 82) = ( 0.2340425 0.4053736 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2269503 0.3930895 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2198582 0.3808055 -0.0000000), wk = 0.0034483 k( 85) = ( 0.2127660 0.3685215 -0.0000000), wk = 0.0034483 k( 86) = ( 0.2056738 0.3562374 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1985816 0.3439534 -0.0000000), wk = 0.0034483 k( 88) = ( 0.1914894 0.3316693 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1843972 0.3193852 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1773050 0.3071012 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1702128 0.2948172 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1631206 0.2825331 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1560284 0.2702491 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1489362 0.2579650 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1418440 0.2456810 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1347518 0.2333969 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1276596 0.2211129 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1205674 0.2088288 -0.0000000), wk = 0.0034483 k( 99) = ( 0.1134752 0.1965448 -0.0000000), wk = 0.0034483 k( 100) = ( 0.1063830 0.1842607 -0.0000000), wk = 0.0034483 k( 101) = ( 0.0992908 0.1719767 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0921986 0.1596926 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0851064 0.1474086 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0780142 0.1351245 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0709220 0.1228405 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0638298 0.1105564 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0567376 0.0982724 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0496454 0.0859883 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0425532 0.0737043 -0.0000000), wk = 0.0034483 k( 110) = ( 0.0354610 0.0614202 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0283688 0.0491362 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0212766 0.0368522 -0.0000000), wk = 0.0034483 k( 113) = ( 0.0141844 0.0245681 -0.0000000), wk = 0.0034483 k( 114) = ( 0.0070922 0.0122841 -0.0000000), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0137630), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0275259), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0412889), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.0550519), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.0688148), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.0825778), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.0963408), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.1101037), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.1238667), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.1376297), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.1513926), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.1651556), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.1789186), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.1926815), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.2064445), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.2202075), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.2339704), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.2477334), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.2614964), wk = 0.0034483 k( 136) = ( 0.0000000 0.0000000 0.2614964), wk = 0.0034483 k( 137) = ( 0.0121951 0.0070409 0.2614964), wk = 0.0034483 k( 138) = ( 0.0243902 0.0140817 0.2614964), wk = 0.0034483 k( 139) = ( 0.0365854 0.0211226 0.2614964), wk = 0.0034483 k( 140) = ( 0.0487805 0.0281634 0.2614964), wk = 0.0034483 k( 141) = ( 0.0609756 0.0352043 0.2614964), wk = 0.0034483 k( 142) = ( 0.0731707 0.0422451 0.2614964), wk = 0.0034483 k( 143) = ( 0.0853658 0.0492860 0.2614964), wk = 0.0034483 k( 144) = ( 0.0975610 0.0563269 0.2614964), wk = 0.0034483 k( 145) = ( 0.1097561 0.0633677 0.2614964), wk = 0.0034483 k( 146) = ( 0.1219512 0.0704086 0.2614964), wk = 0.0034483 k( 147) = ( 0.1341463 0.0774494 0.2614964), wk = 0.0034483 k( 148) = ( 0.1463415 0.0844903 0.2614964), wk = 0.0034483 k( 149) = ( 0.1585366 0.0915311 0.2614964), wk = 0.0034483 k( 150) = ( 0.1707317 0.0985720 0.2614964), wk = 0.0034483 k( 151) = ( 0.1829268 0.1056129 0.2614964), wk = 0.0034483 k( 152) = ( 0.1951219 0.1126537 0.2614964), wk = 0.0034483 k( 153) = ( 0.2073171 0.1196946 0.2614964), wk = 0.0034483 k( 154) = ( 0.2195122 0.1267354 0.2614964), wk = 0.0034483 k( 155) = ( 0.2317073 0.1337763 0.2614964), wk = 0.0034483 k( 156) = ( 0.2439024 0.1408171 0.2614964), wk = 0.0034483 k( 157) = ( 0.2560976 0.1478580 0.2614964), wk = 0.0034483 k( 158) = ( 0.2682927 0.1548989 0.2614964), wk = 0.0034483 k( 159) = ( 0.2804878 0.1619397 0.2614964), wk = 0.0034483 k( 160) = ( 0.2926829 0.1689806 0.2614964), wk = 0.0034483 k( 161) = ( 0.3048781 0.1760214 0.2614964), wk = 0.0034483 k( 162) = ( 0.3170732 0.1830623 0.2614964), wk = 0.0034483 k( 163) = ( 0.3292683 0.1901031 0.2614964), wk = 0.0034483 k( 164) = ( 0.3414634 0.1971440 0.2614964), wk = 0.0034483 k( 165) = ( 0.3536585 0.2041849 0.2614964), wk = 0.0034483 k( 166) = ( 0.3658537 0.2112257 0.2614964), wk = 0.0034483 k( 167) = ( 0.3780488 0.2182666 0.2614964), wk = 0.0034483 k( 168) = ( 0.3902439 0.2253074 0.2614964), wk = 0.0034483 k( 169) = ( 0.4024390 0.2323483 0.2614964), wk = 0.0034483 k( 170) = ( 0.4146341 0.2393891 0.2614964), wk = 0.0034483 k( 171) = ( 0.4268293 0.2464300 0.2614964), wk = 0.0034483 k( 172) = ( 0.4390244 0.2534708 0.2614964), wk = 0.0034483 k( 173) = ( 0.4512195 0.2605117 0.2614964), wk = 0.0034483 k( 174) = ( 0.4634146 0.2675526 0.2614964), wk = 0.0034483 k( 175) = ( 0.4756098 0.2745934 0.2614964), wk = 0.0034483 k( 176) = ( 0.4878049 0.2816343 0.2614964), wk = 0.0034483 k( 177) = ( 0.5000000 0.2886751 0.2614964), wk = 0.0034483 k( 178) = ( 0.5000000 0.2886751 0.2614964), wk = 0.0034483 k( 179) = ( 0.4930556 0.3007033 0.2614964), wk = 0.0034483 k( 180) = ( 0.4861111 0.3127314 0.2614964), wk = 0.0034483 k( 181) = ( 0.4791667 0.3247595 0.2614964), wk = 0.0034483 k( 182) = ( 0.4722222 0.3367877 0.2614964), wk = 0.0034483 k( 183) = ( 0.4652778 0.3488158 0.2614964), wk = 0.0034483 k( 184) = ( 0.4583333 0.3608439 0.2614964), wk = 0.0034483 k( 185) = ( 0.4513889 0.3728720 0.2614964), wk = 0.0034483 k( 186) = ( 0.4444444 0.3849002 0.2614964), wk = 0.0034483 k( 187) = ( 0.4375000 0.3969283 0.2614964), wk = 0.0034483 k( 188) = ( 0.4305556 0.4089564 0.2614964), wk = 0.0034483 k( 189) = ( 0.4236111 0.4209846 0.2614964), wk = 0.0034483 k( 190) = ( 0.4166667 0.4330127 0.2614964), wk = 0.0034483 k( 191) = ( 0.4097222 0.4450408 0.2614964), wk = 0.0034483 k( 192) = ( 0.4027778 0.4570690 0.2614964), wk = 0.0034483 k( 193) = ( 0.3958333 0.4690971 0.2614964), wk = 0.0034483 k( 194) = ( 0.3888889 0.4811252 0.2614964), wk = 0.0034483 k( 195) = ( 0.3819444 0.4931534 0.2614964), wk = 0.0034483 k( 196) = ( 0.3750000 0.5051815 0.2614964), wk = 0.0034483 k( 197) = ( 0.3680556 0.5172096 0.2614964), wk = 0.0034483 k( 198) = ( 0.3611111 0.5292377 0.2614964), wk = 0.0034483 k( 199) = ( 0.3541667 0.5412659 0.2614964), wk = 0.0034483 k( 200) = ( 0.3472222 0.5532940 0.2614964), wk = 0.0034483 k( 201) = ( 0.3402778 0.5653221 0.2614964), wk = 0.0034483 k( 202) = ( 0.3333333 0.5773503 0.2614964), wk = 0.0034483 k( 203) = ( 0.3333333 0.5773503 0.2614964), wk = 0.0034483 k( 204) = ( 0.3262411 0.5650662 0.2614964), wk = 0.0034483 k( 205) = ( 0.3191489 0.5527822 0.2614964), wk = 0.0034483 k( 206) = ( 0.3120567 0.5404981 0.2614964), wk = 0.0034483 k( 207) = ( 0.3049645 0.5282141 0.2614964), wk = 0.0034483 k( 208) = ( 0.2978723 0.5159300 0.2614964), wk = 0.0034483 k( 209) = ( 0.2907801 0.5036460 0.2614964), wk = 0.0034483 k( 210) = ( 0.2836879 0.4913619 0.2614964), wk = 0.0034483 k( 211) = ( 0.2765957 0.4790779 0.2614964), wk = 0.0034483 k( 212) = ( 0.2695035 0.4667938 0.2614964), wk = 0.0034483 k( 213) = ( 0.2624113 0.4545098 0.2614964), wk = 0.0034483 k( 214) = ( 0.2553191 0.4422257 0.2614964), wk = 0.0034483 k( 215) = ( 0.2482270 0.4299417 0.2614964), wk = 0.0034483 k( 216) = ( 0.2411348 0.4176576 0.2614964), wk = 0.0034483 k( 217) = ( 0.2340425 0.4053736 0.2614964), wk = 0.0034483 k( 218) = ( 0.2269503 0.3930895 0.2614964), wk = 0.0034483 k( 219) = ( 0.2198582 0.3808055 0.2614964), wk = 0.0034483 k( 220) = ( 0.2127660 0.3685215 0.2614964), wk = 0.0034483 k( 221) = ( 0.2056738 0.3562374 0.2614964), wk = 0.0034483 k( 222) = ( 0.1985816 0.3439534 0.2614964), wk = 0.0034483 k( 223) = ( 0.1914894 0.3316693 0.2614964), wk = 0.0034483 k( 224) = ( 0.1843972 0.3193852 0.2614964), wk = 0.0034483 k( 225) = ( 0.1773050 0.3071012 0.2614964), wk = 0.0034483 k( 226) = ( 0.1702128 0.2948172 0.2614964), wk = 0.0034483 k( 227) = ( 0.1631206 0.2825331 0.2614964), wk = 0.0034483 k( 228) = ( 0.1560284 0.2702491 0.2614964), wk = 0.0034483 k( 229) = ( 0.1489362 0.2579650 0.2614964), wk = 0.0034483 k( 230) = ( 0.1418440 0.2456810 0.2614964), wk = 0.0034483 k( 231) = ( 0.1347518 0.2333969 0.2614964), wk = 0.0034483 k( 232) = ( 0.1276596 0.2211129 0.2614964), wk = 0.0034483 k( 233) = ( 0.1205674 0.2088288 0.2614964), wk = 0.0034483 k( 234) = ( 0.1134752 0.1965448 0.2614964), wk = 0.0034483 k( 235) = ( 0.1063830 0.1842607 0.2614964), wk = 0.0034483 k( 236) = ( 0.0992908 0.1719767 0.2614964), wk = 0.0034483 k( 237) = ( 0.0921986 0.1596926 0.2614964), wk = 0.0034483 k( 238) = ( 0.0851064 0.1474086 0.2614964), wk = 0.0034483 k( 239) = ( 0.0780142 0.1351245 0.2614964), wk = 0.0034483 k( 240) = ( 0.0709220 0.1228405 0.2614964), wk = 0.0034483 k( 241) = ( 0.0638298 0.1105564 0.2614964), wk = 0.0034483 k( 242) = ( 0.0567376 0.0982724 0.2614964), wk = 0.0034483 k( 243) = ( 0.0496454 0.0859883 0.2614964), wk = 0.0034483 k( 244) = ( 0.0425532 0.0737043 0.2614964), wk = 0.0034483 k( 245) = ( 0.0354610 0.0614202 0.2614964), wk = 0.0034483 k( 246) = ( 0.0283688 0.0491362 0.2614964), wk = 0.0034483 k( 247) = ( 0.0212766 0.0368522 0.2614964), wk = 0.0034483 k( 248) = ( 0.0141844 0.0245681 0.2614964), wk = 0.0034483 k( 249) = ( 0.0070922 0.0122841 0.2614964), wk = 0.0034483 k( 250) = ( 0.0000000 0.0000000 0.2614964), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.2614964), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.2477334), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.2339704), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.2202075), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.2064445), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.1926815), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.1789186), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 0.1651556), wk = 0.0034483 k( 259) = ( 0.5000000 0.2886751 0.1513926), wk = 0.0034483 k( 260) = ( 0.5000000 0.2886751 0.1376297), wk = 0.0034483 k( 261) = ( 0.5000000 0.2886751 0.1238667), wk = 0.0034483 k( 262) = ( 0.5000000 0.2886751 0.1101037), wk = 0.0034483 k( 263) = ( 0.5000000 0.2886751 0.0963408), wk = 0.0034483 k( 264) = ( 0.5000000 0.2886751 0.0825778), wk = 0.0034483 k( 265) = ( 0.5000000 0.2886751 0.0688148), wk = 0.0034483 k( 266) = ( 0.5000000 0.2886751 0.0550519), wk = 0.0034483 k( 267) = ( 0.5000000 0.2886751 0.0412889), wk = 0.0034483 k( 268) = ( 0.5000000 0.2886751 0.0275259), wk = 0.0034483 k( 269) = ( 0.5000000 0.2886751 0.0137630), wk = 0.0034483 k( 270) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.0137630), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.0275259), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.0412889), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.0550519), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.0688148), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.0825778), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.0963408), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.1101037), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.1238667), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.1376297), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.1513926), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.1651556), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.1789186), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.1926815), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.2064445), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.2202075), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.2339704), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.2477334), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.2614964), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0121951 0.0000000 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0243902 0.0000000 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0365854 -0.0000000 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0487805 -0.0000000 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0609756 0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0731707 -0.0000000 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0853658 0.0000000 0.0000000), wk = 0.0034483 k( 9) = ( 0.0975610 -0.0000000 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1097561 -0.0000000 0.0000000), wk = 0.0034483 k( 11) = ( 0.1219512 0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1341463 -0.0000000 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1463415 -0.0000000 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1585366 -0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.1707317 0.0000000 0.0000000), wk = 0.0034483 k( 16) = ( 0.1829268 0.0000000 -0.0000000), wk = 0.0034483 k( 17) = ( 0.1951219 -0.0000000 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2073171 -0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2195122 -0.0000000 0.0000000), wk = 0.0034483 k( 20) = ( 0.2317073 0.0000000 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2439024 0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2560976 -0.0000000 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2682927 -0.0000000 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2804878 -0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.2926829 -0.0000000 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3048781 -0.0000000 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3170732 -0.0000000 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3292683 -0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3414634 -0.0000000 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3536585 0.0000000 0.0000000), wk = 0.0034483 k( 31) = ( 0.3658537 0.0000000 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3780488 -0.0000000 -0.0000000), wk = 0.0034483 k( 33) = ( 0.3902439 -0.0000000 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4024390 -0.0000000 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4146341 0.0000000 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4268293 0.0000000 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4390244 0.0000000 0.0000000), wk = 0.0034483 k( 38) = ( 0.4512195 0.0000000 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4634146 0.0000000 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4756098 0.0000000 0.0000000), wk = 0.0034483 k( 41) = ( 0.4878049 0.0000000 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4930556 0.0138889 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4791667 0.0416667 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0034483 k( 48) = ( 0.4652778 0.0694444 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4583333 0.0833333 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4513889 0.0972222 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4375000 0.1250000 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0034483 k( 54) = ( 0.4236111 0.1527778 0.0000000), wk = 0.0034483 k( 55) = ( 0.4166667 0.1666667 -0.0000000), wk = 0.0034483 k( 56) = ( 0.4097222 0.1805556 0.0000000), wk = 0.0034483 k( 57) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0034483 k( 58) = ( 0.3958333 0.2083333 0.0000000), wk = 0.0034483 k( 59) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3819444 0.2361111 0.0000000), wk = 0.0034483 k( 61) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3680556 0.2638889 0.0000000), wk = 0.0034483 k( 63) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0034483 k( 64) = ( 0.3541667 0.2916667 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3472222 0.3055556 0.0000000), wk = 0.0034483 k( 66) = ( 0.3402778 0.3194444 0.0000000), wk = 0.0034483 k( 67) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 68) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 69) = ( 0.3262411 0.3262411 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3191489 0.3191489 -0.0000000), wk = 0.0034483 k( 71) = ( 0.3120567 0.3120567 -0.0000000), wk = 0.0034483 k( 72) = ( 0.3049645 0.3049645 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2978723 0.2978723 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2907801 0.2907801 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2836879 0.2836879 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2765957 0.2765957 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2695035 0.2695035 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2624113 0.2624113 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2553191 0.2553191 0.0000000), wk = 0.0034483 k( 80) = ( 0.2482270 0.2482270 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2411348 0.2411348 0.0000000), wk = 0.0034483 k( 82) = ( 0.2340425 0.2340425 0.0000000), wk = 0.0034483 k( 83) = ( 0.2269503 0.2269503 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2198582 0.2198582 -0.0000000), wk = 0.0034483 k( 85) = ( 0.2127660 0.2127660 0.0000000), wk = 0.0034483 k( 86) = ( 0.2056738 0.2056738 0.0000000), wk = 0.0034483 k( 87) = ( 0.1985816 0.1985816 0.0000000), wk = 0.0034483 k( 88) = ( 0.1914894 0.1914894 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1843972 0.1843972 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1773050 0.1773050 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1702128 0.1702128 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1631206 0.1631206 0.0000000), wk = 0.0034483 k( 93) = ( 0.1560284 0.1560284 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1489362 0.1489362 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1418440 0.1418440 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1347518 0.1347518 0.0000000), wk = 0.0034483 k( 97) = ( 0.1276596 0.1276596 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1205674 0.1205674 0.0000000), wk = 0.0034483 k( 99) = ( 0.1134752 0.1134752 -0.0000000), wk = 0.0034483 k( 100) = ( 0.1063830 0.1063830 0.0000000), wk = 0.0034483 k( 101) = ( 0.0992908 0.0992908 0.0000000), wk = 0.0034483 k( 102) = ( 0.0921986 0.0921986 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0851064 0.0851064 0.0000000), wk = 0.0034483 k( 104) = ( 0.0780142 0.0780142 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0709220 0.0709220 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0638298 0.0638298 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0567376 0.0567376 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0496454 0.0496454 0.0000000), wk = 0.0034483 k( 109) = ( 0.0425532 0.0425532 0.0000000), wk = 0.0034483 k( 110) = ( 0.0354610 0.0354610 0.0000000), wk = 0.0034483 k( 111) = ( 0.0283688 0.0283688 0.0000000), wk = 0.0034483 k( 112) = ( 0.0212766 0.0212766 -0.0000000), wk = 0.0034483 k( 113) = ( 0.0141844 0.0141844 0.0000000), wk = 0.0034483 k( 114) = ( 0.0070922 0.0070922 0.0000000), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1315789), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.3684210), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.0121951 0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.0243902 0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.0365854 -0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.0487805 -0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.0609756 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.0731707 -0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.0853658 0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.0975610 -0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.1097561 -0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.1219512 0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.1341463 -0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.1463415 -0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.1585366 -0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.1707317 0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.1829268 0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.1951219 -0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.2073171 -0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.2195122 -0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.2317073 0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.2439024 0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.2560976 -0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.2682927 -0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.2804878 -0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.2926829 -0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.3048781 -0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.3170732 -0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.3292683 -0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.3414634 -0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.3536585 0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.3658537 0.0000000 0.5000000), wk = 0.0034483 k( 167) = ( 0.3780488 -0.0000000 0.5000000), wk = 0.0034483 k( 168) = ( 0.3902439 -0.0000000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4024390 -0.0000000 0.5000000), wk = 0.0034483 k( 170) = ( 0.4146341 0.0000000 0.5000000), wk = 0.0034483 k( 171) = ( 0.4268293 0.0000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4390244 0.0000000 0.5000000), wk = 0.0034483 k( 173) = ( 0.4512195 0.0000000 0.5000000), wk = 0.0034483 k( 174) = ( 0.4634146 0.0000000 0.5000000), wk = 0.0034483 k( 175) = ( 0.4756098 0.0000000 0.5000000), wk = 0.0034483 k( 176) = ( 0.4878049 0.0000000 0.5000000), wk = 0.0034483 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 179) = ( 0.4930556 0.0138889 0.5000000), wk = 0.0034483 k( 180) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0034483 k( 181) = ( 0.4791667 0.0416667 0.5000000), wk = 0.0034483 k( 182) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0034483 k( 183) = ( 0.4652778 0.0694444 0.5000000), wk = 0.0034483 k( 184) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0034483 k( 185) = ( 0.4513889 0.0972222 0.5000000), wk = 0.0034483 k( 186) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0034483 k( 187) = ( 0.4375000 0.1250000 0.5000000), wk = 0.0034483 k( 188) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0034483 k( 189) = ( 0.4236111 0.1527778 0.5000000), wk = 0.0034483 k( 190) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0034483 k( 191) = ( 0.4097222 0.1805556 0.5000000), wk = 0.0034483 k( 192) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0034483 k( 193) = ( 0.3958333 0.2083333 0.5000000), wk = 0.0034483 k( 194) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0034483 k( 195) = ( 0.3819444 0.2361111 0.5000000), wk = 0.0034483 k( 196) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0034483 k( 197) = ( 0.3680556 0.2638889 0.5000000), wk = 0.0034483 k( 198) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0034483 k( 199) = ( 0.3541667 0.2916667 0.5000000), wk = 0.0034483 k( 200) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0034483 k( 201) = ( 0.3402778 0.3194444 0.5000000), wk = 0.0034483 k( 202) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 203) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 204) = ( 0.3262411 0.3262411 0.5000000), wk = 0.0034483 k( 205) = ( 0.3191489 0.3191489 0.5000000), wk = 0.0034483 k( 206) = ( 0.3120567 0.3120567 0.5000000), wk = 0.0034483 k( 207) = ( 0.3049645 0.3049645 0.5000000), wk = 0.0034483 k( 208) = ( 0.2978723 0.2978723 0.5000000), wk = 0.0034483 k( 209) = ( 0.2907801 0.2907801 0.5000000), wk = 0.0034483 k( 210) = ( 0.2836879 0.2836879 0.5000000), wk = 0.0034483 k( 211) = ( 0.2765957 0.2765957 0.5000000), wk = 0.0034483 k( 212) = ( 0.2695035 0.2695035 0.5000000), wk = 0.0034483 k( 213) = ( 0.2624113 0.2624113 0.5000000), wk = 0.0034483 k( 214) = ( 0.2553191 0.2553191 0.5000000), wk = 0.0034483 k( 215) = ( 0.2482270 0.2482270 0.5000000), wk = 0.0034483 k( 216) = ( 0.2411348 0.2411348 0.5000000), wk = 0.0034483 k( 217) = ( 0.2340425 0.2340425 0.5000000), wk = 0.0034483 k( 218) = ( 0.2269503 0.2269503 0.5000000), wk = 0.0034483 k( 219) = ( 0.2198582 0.2198582 0.5000000), wk = 0.0034483 k( 220) = ( 0.2127660 0.2127660 0.5000000), wk = 0.0034483 k( 221) = ( 0.2056738 0.2056738 0.5000000), wk = 0.0034483 k( 222) = ( 0.1985816 0.1985816 0.5000000), wk = 0.0034483 k( 223) = ( 0.1914894 0.1914894 0.5000000), wk = 0.0034483 k( 224) = ( 0.1843972 0.1843972 0.5000000), wk = 0.0034483 k( 225) = ( 0.1773050 0.1773050 0.5000000), wk = 0.0034483 k( 226) = ( 0.1702128 0.1702128 0.5000000), wk = 0.0034483 k( 227) = ( 0.1631206 0.1631206 0.5000000), wk = 0.0034483 k( 228) = ( 0.1560284 0.1560284 0.5000000), wk = 0.0034483 k( 229) = ( 0.1489362 0.1489362 0.5000000), wk = 0.0034483 k( 230) = ( 0.1418440 0.1418440 0.5000000), wk = 0.0034483 k( 231) = ( 0.1347518 0.1347518 0.5000000), wk = 0.0034483 k( 232) = ( 0.1276596 0.1276596 0.5000000), wk = 0.0034483 k( 233) = ( 0.1205674 0.1205674 0.5000000), wk = 0.0034483 k( 234) = ( 0.1134752 0.1134752 0.5000000), wk = 0.0034483 k( 235) = ( 0.1063830 0.1063830 0.5000000), wk = 0.0034483 k( 236) = ( 0.0992908 0.0992908 0.5000000), wk = 0.0034483 k( 237) = ( 0.0921986 0.0921986 0.5000000), wk = 0.0034483 k( 238) = ( 0.0851064 0.0851064 0.5000000), wk = 0.0034483 k( 239) = ( 0.0780142 0.0780142 0.5000000), wk = 0.0034483 k( 240) = ( 0.0709220 0.0709220 0.5000000), wk = 0.0034483 k( 241) = ( 0.0638298 0.0638298 0.5000000), wk = 0.0034483 k( 242) = ( 0.0567376 0.0567376 0.5000000), wk = 0.0034483 k( 243) = ( 0.0496454 0.0496454 0.5000000), wk = 0.0034483 k( 244) = ( 0.0425532 0.0425532 0.5000000), wk = 0.0034483 k( 245) = ( 0.0354610 0.0354610 0.5000000), wk = 0.0034483 k( 246) = ( 0.0283688 0.0283688 0.5000000), wk = 0.0034483 k( 247) = ( 0.0212766 0.0212766 0.5000000), wk = 0.0034483 k( 248) = ( 0.0141844 0.0141844 0.5000000), wk = 0.0034483 k( 249) = ( 0.0070922 0.0070922 0.5000000), wk = 0.0034483 k( 250) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 251) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 252) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0034483 k( 253) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0034483 k( 254) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0034483 k( 255) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0034483 k( 256) = ( 0.5000000 0.0000000 0.3684210), wk = 0.0034483 k( 257) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0034483 k( 258) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0034483 k( 259) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0034483 k( 260) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0034483 k( 261) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0034483 k( 262) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0034483 k( 263) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0034483 k( 264) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0034483 k( 265) = ( 0.5000000 0.0000000 0.1315789), wk = 0.0034483 k( 266) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0034483 k( 267) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0034483 k( 268) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0034483 k( 269) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0034483 k( 270) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.3684210), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 143865 G-vectors FFT dimensions: ( 60, 60, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.68 Mb ( 1018, 44) NL pseudopotentials 1.29 Mb ( 509, 166) Each V/rho on FFT grid 0.16 Mb ( 10800) Each G-vector array 0.03 Mb ( 3995) G-vector shells 0.01 Mb ( 1951) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.73 Mb ( 1018, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.22 Mb ( 166, 2, 44) The potential is recalculated from file : ./BaLiP.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.8 secs Computing kpt #: 3 total cpu time spent up to now is 6.0 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.8 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 12.2 secs Computing kpt #: 9 total cpu time spent up to now is 13.3 secs Computing kpt #: 10 total cpu time spent up to now is 14.5 secs Computing kpt #: 11 total cpu time spent up to now is 15.6 secs Computing kpt #: 12 total cpu time spent up to now is 16.7 secs Computing kpt #: 13 total cpu time spent up to now is 17.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.0 secs Computing kpt #: 15 total cpu time spent up to now is 20.2 secs Computing kpt #: 16 total cpu time spent up to now is 21.4 secs Computing kpt #: 17 total cpu time spent up to now is 22.6 secs Computing kpt #: 18 total cpu time spent up to now is 23.8 secs Computing kpt #: 19 total cpu time spent up to now is 25.0 secs Computing kpt #: 20 total cpu time spent up to now is 26.1 secs Computing kpt #: 21 total cpu time spent up to now is 27.3 secs Computing kpt #: 22 total cpu time spent up to now is 28.5 secs Computing kpt #: 23 total cpu time spent up to now is 29.6 secs Computing kpt #: 24 total cpu time spent up to now is 31.1 secs Computing kpt #: 25 total cpu time spent up to now is 32.5 secs Computing kpt #: 26 total cpu time spent up to now is 35.1 secs Computing kpt #: 27 total cpu time spent up to now is 36.2 secs Computing kpt #: 28 total cpu time spent up to now is 37.3 secs Computing kpt #: 29 total cpu time spent up to now is 38.3 secs Computing kpt #: 30 total cpu time spent up to now is 39.3 secs Computing kpt #: 31 total cpu time spent up to now is 40.3 secs Computing kpt #: 32 total cpu time spent up to now is 41.2 secs Computing kpt #: 33 total cpu time spent up to now is 42.2 secs Computing kpt #: 34 total cpu time spent up to now is 43.2 secs Computing kpt #: 35 total cpu time spent up to now is 44.1 secs Computing kpt #: 36 total cpu time spent up to now is 45.2 secs Computing kpt #: 37 total cpu time spent up to now is 46.3 secs Computing kpt #: 38 total cpu time spent up to now is 47.5 secs Computing kpt #: 39 total cpu time spent up to now is 48.7 secs Computing kpt #: 40 total cpu time spent up to now is 49.9 secs Computing kpt #: 41 total cpu time spent up to now is 51.2 secs Computing kpt #: 42 total cpu time spent up to now is 52.6 secs Computing kpt #: 43 total cpu time spent up to now is 54.1 secs Computing kpt #: 44 total cpu time spent up to now is 55.2 secs Computing kpt #: 45 total cpu time spent up to now is 56.3 secs Computing kpt #: 46 total cpu time spent up to now is 57.3 secs Computing kpt #: 47 total cpu time spent up to now is 58.3 secs Computing kpt #: 48 total cpu time spent up to now is 59.2 secs Computing kpt #: 49 total cpu time spent up to now is 60.2 secs Computing kpt #: 50 total cpu time spent up to now is 61.1 secs Computing kpt #: 51 total cpu time spent up to now is 62.0 secs Computing kpt #: 52 total cpu time spent up to now is 63.0 secs Computing kpt #: 53 total cpu time spent up to now is 63.9 secs Computing kpt #: 54 total cpu time spent up to now is 64.9 secs Computing kpt #: 55 total cpu time spent up to now is 65.8 secs Computing kpt #: 56 total cpu time spent up to now is 66.7 secs Computing kpt #: 57 total cpu time spent up to now is 67.6 secs Computing kpt #: 58 total cpu time spent up to now is 68.6 secs Computing kpt #: 59 total cpu time spent up to now is 69.5 secs Computing kpt #: 60 total cpu time spent up to now is 70.4 secs Computing kpt #: 61 total cpu time spent up to now is 71.3 secs Computing kpt #: 62 total cpu time spent up to now is 72.2 secs Computing kpt #: 63 total cpu time spent up to now is 73.1 secs Computing kpt #: 64 total cpu time spent up to now is 74.0 secs Computing kpt #: 65 total cpu time spent up to now is 74.9 secs Computing kpt #: 66 total cpu time spent up to now is 75.8 secs Computing kpt #: 67 total cpu time spent up to now is 76.7 secs Computing kpt #: 68 total cpu time spent up to now is 77.6 secs Computing kpt #: 69 total cpu time spent up to now is 78.5 secs Computing kpt #: 70 total cpu time spent up to now is 79.4 secs Computing kpt #: 71 total cpu time spent up to now is 80.7 secs Computing kpt #: 72 total cpu time spent up to now is 81.8 secs Computing kpt #: 73 total cpu time spent up to now is 82.7 secs Computing kpt #: 74 total cpu time spent up to now is 83.6 secs Computing kpt #: 75 total cpu time spent up to now is 84.5 secs Computing kpt #: 76 total cpu time spent up to now is 85.4 secs Computing kpt #: 77 total cpu time spent up to now is 86.3 secs Computing kpt #: 78 total cpu time spent up to now is 87.2 secs Computing kpt #: 79 total cpu time spent up to now is 88.1 secs Computing kpt #: 80 total cpu time spent up to now is 89.0 secs Computing kpt #: 81 total cpu time spent up to now is 89.9 secs Computing kpt #: 82 total cpu time spent up to now is 90.8 secs Computing kpt #: 83 total cpu time spent up to now is 91.7 secs Computing kpt #: 84 total cpu time spent up to now is 92.7 secs Computing kpt #: 85 total cpu time spent up to now is 93.6 secs Computing kpt #: 86 total cpu time spent up to now is 94.6 secs Computing kpt #: 87 total cpu time spent up to now is 95.5 secs Computing kpt #: 88 total cpu time spent up to now is 96.5 secs Computing kpt #: 89 total cpu time spent up to now is 97.4 secs Computing kpt #: 90 total cpu time spent up to now is 98.6 secs Computing kpt #: 91 total cpu time spent up to now is 99.8 secs Computing kpt #: 92 total cpu time spent up to now is 101.0 secs Computing kpt #: 93 total cpu time spent up to now is 102.2 secs Computing kpt #: 94 total cpu time spent up to now is 103.4 secs Computing kpt #: 95 total cpu time spent up to now is 104.5 secs Computing kpt #: 96 total cpu time spent up to now is 105.5 secs Computing kpt #: 97 total cpu time spent up to now is 106.4 secs Computing kpt #: 98 total cpu time spent up to now is 107.4 secs Computing kpt #: 99 total cpu time spent up to now is 108.4 secs Computing kpt #: 100 total cpu time spent up to now is 109.3 secs Computing kpt #: 101 total cpu time spent up to now is 110.4 secs Computing kpt #: 102 total cpu time spent up to now is 111.6 secs Computing kpt #: 103 total cpu time spent up to now is 112.5 secs Computing kpt #: 104 total cpu time spent up to now is 113.5 secs Computing kpt #: 105 total cpu time spent up to now is 114.6 secs Computing kpt #: 106 total cpu time spent up to now is 115.8 secs Computing kpt #: 107 total cpu time spent up to now is 116.9 secs Computing kpt #: 108 total cpu time spent up to now is 118.0 secs Computing kpt #: 109 total cpu time spent up to now is 119.1 secs Computing kpt #: 110 total cpu time spent up to now is 120.7 secs Computing kpt #: 111 total cpu time spent up to now is 122.1 secs Computing kpt #: 112 total cpu time spent up to now is 123.4 secs Computing kpt #: 113 total cpu time spent up to now is 124.4 secs Computing kpt #: 114 total cpu time spent up to now is 125.3 secs Computing kpt #: 115 total cpu time spent up to now is 126.5 secs Computing kpt #: 116 total cpu time spent up to now is 127.6 secs Computing kpt #: 117 total cpu time spent up to now is 128.7 secs Computing kpt #: 118 total cpu time spent up to now is 129.8 secs Computing kpt #: 119 total cpu time spent up to now is 131.0 secs Computing kpt #: 120 total cpu time spent up to now is 132.1 secs Computing kpt #: 121 total cpu time spent up to now is 133.2 secs Computing kpt #: 122 total cpu time spent up to now is 134.3 secs Computing kpt #: 123 total cpu time spent up to now is 135.5 secs Computing kpt #: 124 total cpu time spent up to now is 136.6 secs Computing kpt #: 125 total cpu time spent up to now is 137.8 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 140.3 secs Computing kpt #: 127 total cpu time spent up to now is 142.4 secs Computing kpt #: 128 total cpu time spent up to now is 144.0 secs Computing kpt #: 129 total cpu time spent up to now is 145.6 secs Computing kpt #: 130 total cpu time spent up to now is 146.8 secs Computing kpt #: 131 total cpu time spent up to now is 148.0 secs Computing kpt #: 132 total cpu time spent up to now is 149.2 secs Computing kpt #: 133 total cpu time spent up to now is 150.5 secs Computing kpt #: 134 total cpu time spent up to now is 151.8 secs Computing kpt #: 135 total cpu time spent up to now is 153.3 secs Computing kpt #: 136 total cpu time spent up to now is 154.7 secs Computing kpt #: 137 total cpu time spent up to now is 156.3 secs Computing kpt #: 138 total cpu time spent up to now is 157.8 secs Computing kpt #: 139 total cpu time spent up to now is 159.3 secs Computing kpt #: 140 total cpu time spent up to now is 160.6 secs Computing kpt #: 141 total cpu time spent up to now is 161.9 secs Computing kpt #: 142 total cpu time spent up to now is 163.2 secs Computing kpt #: 143 total cpu time spent up to now is 164.5 secs Computing kpt #: 144 total cpu time spent up to now is 165.8 secs Computing kpt #: 145 total cpu time spent up to now is 167.2 secs Computing kpt #: 146 total cpu time spent up to now is 168.6 secs Computing kpt #: 147 total cpu time spent up to now is 169.8 secs Computing kpt #: 148 total cpu time spent up to now is 170.9 secs Computing kpt #: 149 total cpu time spent up to now is 172.1 secs Computing kpt #: 150 total cpu time spent up to now is 173.1 secs Computing kpt #: 151 total cpu time spent up to now is 174.0 secs Computing kpt #: 152 total cpu time spent up to now is 175.0 secs Computing kpt #: 153 total cpu time spent up to now is 176.0 secs Computing kpt #: 154 total cpu time spent up to now is 176.9 secs Computing kpt #: 155 total cpu time spent up to now is 177.9 secs Computing kpt #: 156 total cpu time spent up to now is 178.8 secs Computing kpt #: 157 total cpu time spent up to now is 179.8 secs Computing kpt #: 158 total cpu time spent up to now is 180.7 secs Computing kpt #: 159 total cpu time spent up to now is 181.6 secs Computing kpt #: 160 total cpu time spent up to now is 182.6 secs Computing kpt #: 161 total cpu time spent up to now is 183.5 secs Computing kpt #: 162 total cpu time spent up to now is 184.4 secs Computing kpt #: 163 total cpu time spent up to now is 185.3 secs Computing kpt #: 164 total cpu time spent up to now is 186.2 secs Computing kpt #: 165 total cpu time spent up to now is 187.1 secs Computing kpt #: 166 total cpu time spent up to now is 188.0 secs Computing kpt #: 167 total cpu time spent up to now is 188.9 secs Computing kpt #: 168 total cpu time spent up to now is 189.8 secs Computing kpt #: 169 total cpu time spent up to now is 190.7 secs Computing kpt #: 170 total cpu time spent up to now is 191.6 secs Computing kpt #: 171 total cpu time spent up to now is 192.5 secs Computing kpt #: 172 total cpu time spent up to now is 193.4 secs Computing kpt #: 173 total cpu time spent up to now is 194.2 secs Computing kpt #: 174 total cpu time spent up to now is 195.1 secs Computing kpt #: 175 total cpu time spent up to now is 196.0 secs Computing kpt #: 176 total cpu time spent up to now is 196.9 secs Computing kpt #: 177 total cpu time spent up to now is 197.8 secs Computing kpt #: 178 total cpu time spent up to now is 198.6 secs Computing kpt #: 179 total cpu time spent up to now is 199.5 secs Computing kpt #: 180 total cpu time spent up to now is 200.4 secs Computing kpt #: 181 total cpu time spent up to now is 201.3 secs Computing kpt #: 182 total cpu time spent up to now is 202.2 secs Computing kpt #: 183 total cpu time spent up to now is 203.1 secs Computing kpt #: 184 total cpu time spent up to now is 203.9 secs Computing kpt #: 185 total cpu time spent up to now is 204.8 secs Computing kpt #: 186 total cpu time spent up to now is 205.7 secs Computing kpt #: 187 total cpu time spent up to now is 206.6 secs Computing kpt #: 188 total cpu time spent up to now is 207.5 secs Computing kpt #: 189 total cpu time spent up to now is 208.5 secs Computing kpt #: 190 total cpu time spent up to now is 209.4 secs Computing kpt #: 191 total cpu time spent up to now is 210.4 secs Computing kpt #: 192 total cpu time spent up to now is 211.3 secs Computing kpt #: 193 total cpu time spent up to now is 212.3 secs Computing kpt #: 194 total cpu time spent up to now is 213.2 secs Computing kpt #: 195 total cpu time spent up to now is 214.2 secs Computing kpt #: 196 total cpu time spent up to now is 215.1 secs Computing kpt #: 197 total cpu time spent up to now is 216.1 secs Computing kpt #: 198 total cpu time spent up to now is 217.1 secs Computing kpt #: 199 total cpu time spent up to now is 218.1 secs Computing kpt #: 200 total cpu time spent up to now is 219.1 secs Computing kpt #: 201 total cpu time spent up to now is 220.0 secs Computing kpt #: 202 total cpu time spent up to now is 221.0 secs Computing kpt #: 203 total cpu time spent up to now is 221.9 secs Computing kpt #: 204 total cpu time spent up to now is 222.9 secs Computing kpt #: 205 total cpu time spent up to now is 223.9 secs Computing kpt #: 206 total cpu time spent up to now is 224.9 secs Computing kpt #: 207 total cpu time spent up to now is 225.9 secs Computing kpt #: 208 total cpu time spent up to now is 226.8 secs Computing kpt #: 209 total cpu time spent up to now is 227.8 secs Computing kpt #: 210 total cpu time spent up to now is 228.7 secs Computing kpt #: 211 total cpu time spent up to now is 229.7 secs Computing kpt #: 212 total cpu time spent up to now is 230.6 secs Computing kpt #: 213 total cpu time spent up to now is 231.6 secs Computing kpt #: 214 total cpu time spent up to now is 232.5 secs Computing kpt #: 215 total cpu time spent up to now is 233.5 secs Computing kpt #: 216 total cpu time spent up to now is 234.4 secs Computing kpt #: 217 total cpu time spent up to now is 235.4 secs Computing kpt #: 218 total cpu time spent up to now is 236.3 secs Computing kpt #: 219 total cpu time spent up to now is 237.2 secs Computing kpt #: 220 total cpu time spent up to now is 238.2 secs Computing kpt #: 221 total cpu time spent up to now is 239.1 secs Computing kpt #: 222 total cpu time spent up to now is 240.1 secs Computing kpt #: 223 total cpu time spent up to now is 241.0 secs Computing kpt #: 224 total cpu time spent up to now is 242.0 secs Computing kpt #: 225 total cpu time spent up to now is 243.0 secs Computing kpt #: 226 total cpu time spent up to now is 243.9 secs Computing kpt #: 227 total cpu time spent up to now is 244.9 secs Computing kpt #: 228 total cpu time spent up to now is 245.8 secs Computing kpt #: 229 total cpu time spent up to now is 246.8 secs Computing kpt #: 230 total cpu time spent up to now is 247.8 secs Computing kpt #: 231 total cpu time spent up to now is 248.7 secs Computing kpt #: 232 total cpu time spent up to now is 249.7 secs Computing kpt #: 233 total cpu time spent up to now is 250.7 secs Computing kpt #: 234 total cpu time spent up to now is 251.6 secs Computing kpt #: 235 total cpu time spent up to now is 252.6 secs Computing kpt #: 236 total cpu time spent up to now is 253.6 secs Computing kpt #: 237 total cpu time spent up to now is 254.7 secs Computing kpt #: 238 total cpu time spent up to now is 255.8 secs Computing kpt #: 239 total cpu time spent up to now is 257.0 secs Computing kpt #: 240 total cpu time spent up to now is 258.2 secs Computing kpt #: 241 total cpu time spent up to now is 259.3 secs Computing kpt #: 242 total cpu time spent up to now is 260.5 secs Computing kpt #: 243 total cpu time spent up to now is 261.7 secs Computing kpt #: 244 total cpu time spent up to now is 262.9 secs Computing kpt #: 245 total cpu time spent up to now is 264.1 secs Computing kpt #: 246 total cpu time spent up to now is 265.7 secs Computing kpt #: 247 total cpu time spent up to now is 267.4 secs Computing kpt #: 248 total cpu time spent up to now is 268.8 secs Computing kpt #: 249 total cpu time spent up to now is 270.0 secs Computing kpt #: 250 total cpu time spent up to now is 271.3 secs Computing kpt #: 251 total cpu time spent up to now is 272.2 secs Computing kpt #: 252 total cpu time spent up to now is 273.1 secs Computing kpt #: 253 total cpu time spent up to now is 273.9 secs Computing kpt #: 254 total cpu time spent up to now is 274.8 secs Computing kpt #: 255 total cpu time spent up to now is 275.7 secs Computing kpt #: 256 total cpu time spent up to now is 276.6 secs Computing kpt #: 257 total cpu time spent up to now is 277.4 secs Computing kpt #: 258 total cpu time spent up to now is 278.3 secs Computing kpt #: 259 total cpu time spent up to now is 279.2 secs Computing kpt #: 260 total cpu time spent up to now is 280.0 secs Computing kpt #: 261 total cpu time spent up to now is 280.9 secs Computing kpt #: 262 total cpu time spent up to now is 281.8 secs Computing kpt #: 263 total cpu time spent up to now is 282.7 secs Computing kpt #: 264 total cpu time spent up to now is 283.7 secs Computing kpt #: 265 total cpu time spent up to now is 284.6 secs Computing kpt #: 266 total cpu time spent up to now is 285.5 secs Computing kpt #: 267 total cpu time spent up to now is 286.5 secs Computing kpt #: 268 total cpu time spent up to now is 287.6 secs Computing kpt #: 269 total cpu time spent up to now is 289.1 secs Computing kpt #: 270 total cpu time spent up to now is 290.5 secs Computing kpt #: 271 total cpu time spent up to now is 291.4 secs Computing kpt #: 272 total cpu time spent up to now is 292.3 secs Computing kpt #: 273 total cpu time spent up to now is 293.2 secs Computing kpt #: 274 total cpu time spent up to now is 294.1 secs Computing kpt #: 275 total cpu time spent up to now is 294.9 secs Computing kpt #: 276 total cpu time spent up to now is 295.8 secs Computing kpt #: 277 total cpu time spent up to now is 296.7 secs Computing kpt #: 278 total cpu time spent up to now is 297.6 secs Computing kpt #: 279 total cpu time spent up to now is 298.5 secs Computing kpt #: 280 total cpu time spent up to now is 299.4 secs Computing kpt #: 281 total cpu time spent up to now is 300.4 secs Computing kpt #: 282 total cpu time spent up to now is 301.3 secs Computing kpt #: 283 total cpu time spent up to now is 302.3 secs Computing kpt #: 284 total cpu time spent up to now is 303.2 secs Computing kpt #: 285 total cpu time spent up to now is 304.2 secs Computing kpt #: 286 total cpu time spent up to now is 305.2 secs Computing kpt #: 287 total cpu time spent up to now is 306.1 secs Computing kpt #: 288 total cpu time spent up to now is 307.2 secs Computing kpt #: 289 total cpu time spent up to now is 308.2 secs Computing kpt #: 290 total cpu time spent up to now is 309.1 secs ethr = 2.78E-08, avg # of iterations = 22.7 total cpu time spent up to now is 309.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 17987 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5893 -20.5893 -7.3259 -7.3259 -7.1757 -7.1757 -5.5558 -5.5558 -5.1396 -5.1396 -5.1354 -5.1354 -5.0824 -5.0824 -2.0931 -2.0931 -1.2238 -1.2238 4.1028 4.1028 5.6903 5.6903 5.7045 5.7045 6.4858 6.4858 6.5555 6.5555 6.6090 6.6090 7.5718 7.5718 8.8132 8.8132 8.8240 8.8240 9.2447 9.2447 k = 0.0122 0.0070-0.0000 ( 17989 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5892 -20.5892 -7.3260 -7.3260 -7.1759 -7.1759 -5.5558 -5.5558 -5.1403 -5.1403 -5.1355 -5.1355 -5.0828 -5.0828 -2.0919 -2.0919 -1.2245 -1.2245 4.1050 4.1050 5.6898 5.6898 5.7040 5.7040 6.4812 6.4812 6.5502 6.5502 6.6060 6.6060 7.5736 7.5736 8.8168 8.8168 8.8278 8.8278 9.2498 9.2498 k = 0.0244 0.0141-0.0000 ( 17997 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6146 -20.6146 -20.5891 -20.5891 -7.3261 -7.3261 -7.1766 -7.1766 -5.5556 -5.5556 -5.1424 -5.1424 -5.1358 -5.1358 -5.0841 -5.0841 -2.0885 -2.0885 -1.2267 -1.2267 4.1116 4.1116 5.6882 5.6882 5.7026 5.7026 6.4665 6.4665 6.5352 6.5352 6.5976 6.5976 7.5792 7.5792 8.8255 8.8255 8.8408 8.8408 9.2657 9.2657 k = 0.0366 0.0211-0.0000 ( 18001 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6144 -20.6144 -20.5889 -20.5889 -7.3263 -7.3263 -7.1776 -7.1776 -5.5554 -5.5554 -5.1459 -5.1459 -5.1360 -5.1360 -5.0863 -5.0863 -2.0827 -2.0827 -1.2303 -1.2303 4.1224 4.1224 5.6849 5.6849 5.7009 5.7009 6.4395 6.4395 6.5132 6.5132 6.5845 6.5845 7.5884 7.5884 8.8354 8.8354 8.8646 8.8646 9.2932 9.2932 k = 0.0488 0.0282-0.0000 ( 17985 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6141 -20.6141 -20.5886 -20.5886 -7.3266 -7.3266 -7.1791 -7.1791 -5.5552 -5.5552 -5.1510 -5.1510 -5.1362 -5.1362 -5.0893 -5.0893 -2.0748 -2.0748 -1.2353 -1.2353 4.1376 4.1376 5.6795 5.6795 5.6994 5.6994 6.3984 6.3984 6.4879 6.4879 6.5672 6.5672 7.6010 7.6010 8.8447 8.8447 8.8983 8.8983 9.3334 9.3334 k = 0.0610 0.0352-0.0000 ( 17989 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6138 -20.6138 -20.5883 -20.5883 -7.3270 -7.3270 -7.1809 -7.1809 -5.5548 -5.5548 -5.1574 -5.1574 -5.1363 -5.1363 -5.0931 -5.0931 -2.0647 -2.0647 -1.2416 -1.2416 4.1570 4.1570 5.6720 5.6720 5.6980 5.6980 6.3438 6.3438 6.4607 6.4607 6.5460 6.5460 7.6169 7.6169 8.8519 8.8519 8.9411 8.9411 9.3702 9.3702 k = 0.0732 0.0422-0.0000 ( 17989 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6133 -20.6133 -20.5878 -20.5878 -7.3275 -7.3275 -7.1832 -7.1832 -5.5544 -5.5544 -5.1652 -5.1652 -5.1365 -5.1365 -5.0977 -5.0977 -2.0526 -2.0526 -1.2493 -1.2493 4.1804 4.1804 5.6626 5.6626 5.6966 5.6966 6.2778 6.2778 6.4317 6.4317 6.5213 6.5213 7.6358 7.6358 8.8559 8.8559 8.9921 8.9921 9.3501 9.3501 k = 0.0854 0.0493-0.0000 ( 17985 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6128 -20.6128 -20.5873 -20.5873 -7.3281 -7.3281 -7.1859 -7.1859 -5.5539 -5.5539 -5.1742 -5.1742 -5.1367 -5.1367 -5.1030 -5.1030 -2.0385 -2.0385 -1.2582 -1.2582 4.2079 4.2079 5.6517 5.6517 5.6948 5.6948 6.2032 6.2032 6.4010 6.4010 6.4935 6.4935 7.6573 7.6573 8.8568 8.8568 9.0504 9.0504 9.3244 9.3244 k = 0.0976 0.0563-0.0000 ( 17989 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6122 -20.6122 -20.5867 -20.5867 -7.3287 -7.3287 -7.1889 -7.1889 -5.5533 -5.5533 -5.1843 -5.1843 -5.1369 -5.1369 -5.1089 -5.1089 -2.0226 -2.0226 -1.2683 -1.2683 4.2392 4.2392 5.6394 5.6394 5.6926 5.6926 6.1218 6.1218 6.3687 6.3687 6.4630 6.4630 7.6813 7.6813 8.8551 8.8551 9.1152 9.1152 9.2941 9.2941 k = 0.1098 0.0634-0.0000 ( 17988 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6115 -20.6115 -20.5861 -20.5861 -7.3295 -7.3295 -7.1923 -7.1923 -5.5527 -5.5527 -5.1955 -5.1955 -5.1371 -5.1371 -5.1155 -5.1155 -2.0051 -2.0051 -1.2795 -1.2795 4.2742 4.2742 5.6259 5.6259 5.6895 5.6895 6.0354 6.0354 6.3353 6.3353 6.4300 6.4300 7.7071 7.7071 8.8514 8.8514 9.1850 9.1850 9.2606 9.2606 k = 0.1220 0.0704-0.0000 ( 18010 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6108 -20.6108 -20.5854 -20.5854 -7.3304 -7.3304 -7.1961 -7.1961 -5.5520 -5.5520 -5.2076 -5.2076 -5.1374 -5.1374 -5.1227 -5.1227 -1.9860 -1.9860 -1.2917 -1.2917 4.3128 4.3128 5.6116 5.6116 5.6854 5.6854 5.9454 5.9454 6.3013 6.3013 6.3952 6.3952 7.7344 7.7344 8.8469 8.8469 9.2165 9.2165 9.2670 9.2670 k = 0.1341 0.0774-0.0000 ( 18014 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6100 -20.6100 -20.5846 -20.5846 -7.3314 -7.3314 -7.2002 -7.2002 -5.5512 -5.5512 -5.2205 -5.2205 -5.1376 -5.1376 -5.1303 -5.1303 -1.9656 -1.9656 -1.3047 -1.3047 4.3546 4.3546 5.5966 5.5966 5.6799 5.6799 5.8528 5.8528 6.2674 6.2674 6.3589 6.3589 7.7624 7.7624 8.8427 8.8427 9.1773 9.1773 9.3457 9.3457 k = 0.1463 0.0845-0.0000 ( 18002 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6091 -20.6091 -20.5838 -20.5838 -7.3325 -7.3325 -7.2046 -7.2046 -5.5504 -5.5504 -5.2341 -5.2341 -5.1390 -5.1390 -5.1372 -5.1372 -1.9441 -1.9441 -1.3185 -1.3185 4.3995 4.3995 5.5811 5.5811 5.6729 5.6729 5.7586 5.7586 6.2341 6.2341 6.3217 6.3217 7.7903 7.7903 8.8398 8.8398 9.1333 9.1333 9.4304 9.4304 k = 0.1585 0.0915-0.0000 ( 17988 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6082 -20.6082 -20.5830 -20.5830 -7.3336 -7.3336 -7.2093 -7.2093 -5.5496 -5.5496 -5.2483 -5.2483 -5.1470 -5.1470 -5.1379 -5.1379 -1.9216 -1.9216 -1.3328 -1.3328 4.4472 4.4472 5.5650 5.5650 5.6622 5.6622 5.6654 5.6654 6.2018 6.2018 6.2842 6.2842 7.8173 7.8173 8.8396 8.8396 9.0868 9.0868 9.5189 9.5189 k = 0.1707 0.0986-0.0000 ( 17994 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6072 -20.6072 -20.5820 -20.5820 -7.3349 -7.3349 -7.2142 -7.2142 -5.5487 -5.5487 -5.2630 -5.2630 -5.1556 -5.1556 -5.1382 -5.1382 -1.8985 -1.8985 -1.3475 -1.3475 4.4975 4.4975 5.5458 5.5458 5.5714 5.5714 5.6530 5.6530 6.1708 6.1708 6.2468 6.2468 7.8423 7.8423 8.8433 8.8433 9.0384 9.0384 9.6104 9.6104 k = 0.1829 0.1056-0.0000 ( 17986 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6062 -20.6062 -20.5811 -20.5811 -7.3363 -7.3363 -7.2194 -7.2194 -5.5478 -5.5478 -5.2780 -5.2780 -5.1645 -5.1645 -5.1384 -5.1384 -1.8750 -1.8750 -1.3624 -1.3624 4.5499 4.5499 5.4703 5.4703 5.5359 5.5359 5.6396 5.6396 6.1413 6.1413 6.2106 6.2106 7.8642 7.8642 8.8522 8.8522 8.9886 8.9886 9.7045 9.7045 k = 0.1951 0.1127-0.0000 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6052 -20.6052 -20.5801 -20.5801 -7.3379 -7.3379 -7.2248 -7.2248 -5.5469 -5.5469 -5.2932 -5.2932 -5.1735 -5.1735 -5.1386 -5.1386 -1.8515 -1.8515 -1.3771 -1.3771 4.6041 4.6041 5.3765 5.3765 5.5196 5.5196 5.6239 5.6239 6.1129 6.1129 6.1765 6.1765 7.8819 7.8819 8.8669 8.8669 8.9382 8.9382 9.8006 9.8006 k = 0.2073 0.1197-0.0000 ( 17976 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6041 -20.6041 -20.5791 -20.5791 -7.3395 -7.3395 -7.2304 -7.2304 -5.5460 -5.5460 -5.3086 -5.3086 -5.1826 -5.1826 -5.1388 -5.1388 -1.8283 -1.8283 -1.3914 -1.3914 4.6596 4.6596 5.2832 5.2832 5.5042 5.5042 5.6058 5.6058 6.0850 6.0850 6.1458 6.1458 7.8945 7.8945 8.8741 8.8741 8.9021 8.9021 9.8982 9.8982 k = 0.2195 0.1267-0.0000 ( 17980 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6031 -20.6031 -20.5781 -20.5781 -7.3412 -7.3412 -7.2362 -7.2362 -5.5452 -5.5452 -5.3239 -5.3239 -5.1916 -5.1916 -5.1390 -5.1390 -1.8059 -1.8059 -1.4048 -1.4048 4.7161 4.7161 5.1913 5.1913 5.4894 5.4894 5.5855 5.5855 6.0569 6.0569 6.1196 6.1196 7.9015 7.9015 8.8280 8.8280 8.9270 8.9270 9.9971 9.9971 k = 0.2317 0.1338-0.0000 ( 17978 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6020 -20.6020 -20.5770 -20.5770 -7.3430 -7.3430 -7.2420 -7.2420 -5.5445 -5.5445 -5.3392 -5.3392 -5.2005 -5.2005 -5.1391 -5.1391 -1.7848 -1.7848 -1.4168 -1.4168 4.7729 4.7729 5.1013 5.1013 5.4753 5.4753 5.5633 5.5633 6.0286 6.0286 6.0985 6.0985 7.9025 7.9025 8.7748 8.7748 8.9672 8.9672 10.0967 10.0967 k = 0.2439 0.1408-0.0000 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6008 -20.6008 -20.5760 -20.5760 -7.3448 -7.3448 -7.2480 -7.2480 -5.5438 -5.5438 -5.3542 -5.3542 -5.2092 -5.2092 -5.1392 -5.1392 -1.7658 -1.7658 -1.4268 -1.4268 4.8294 4.8294 5.0133 5.0133 5.4617 5.4617 5.5395 5.5395 6.0010 6.0010 6.0817 6.0817 7.8979 7.8979 8.7206 8.7206 9.0169 9.0169 10.1966 10.1966 k = 0.2561 0.1479-0.0000 ( 17964 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5997 -20.5997 -20.5749 -20.5749 -7.3468 -7.3468 -7.2540 -7.2540 -5.5433 -5.5433 -5.3690 -5.3690 -5.2177 -5.2177 -5.1394 -5.1394 -1.7495 -1.7495 -1.4341 -1.4341 4.8844 4.8844 4.9281 4.9281 5.4489 5.4489 5.5145 5.5145 5.9752 5.9752 6.0686 6.0686 7.8880 7.8880 8.6660 8.6660 9.0752 9.0752 10.2965 10.2965 k = 0.2683 0.1549-0.0000 ( 17958 PWs) bands (ev): -39.0581 -39.0581 -39.0580 -39.0580 -20.5986 -20.5986 -20.5738 -20.5738 -7.3488 -7.3488 -7.2600 -7.2600 -5.5430 -5.5430 -5.3833 -5.3833 -5.2258 -5.2258 -5.1394 -5.1394 -1.7367 -1.7367 -1.4380 -1.4380 4.8440 4.8440 4.9391 4.9391 5.4369 5.4369 5.4887 5.4887 5.9525 5.9525 6.0584 6.0584 7.8736 7.8736 8.6112 8.6112 9.1416 9.1416 10.3960 10.3960 k = 0.2805 0.1619-0.0000 ( 17962 PWs) bands (ev): -39.0581 -39.0581 -39.0580 -39.0580 -20.5975 -20.5975 -20.5728 -20.5728 -7.3509 -7.3509 -7.2660 -7.2660 -5.5429 -5.5429 -5.3972 -5.3972 -5.2336 -5.2336 -5.1395 -5.1395 -1.7280 -1.7280 -1.4380 -1.4380 4.7639 4.7639 4.9898 4.9898 5.4255 5.4255 5.4626 5.4626 5.9339 5.9339 6.0504 6.0504 7.8554 7.8554 8.5563 8.5563 9.2152 9.2152 10.4946 10.4946 k = 0.2927 0.1690-0.0000 ( 17940 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5964 -20.5964 -20.5717 -20.5717 -7.3530 -7.3530 -7.2719 -7.2719 -5.5431 -5.5431 -5.4105 -5.4105 -5.2409 -5.2409 -5.1396 -5.1396 -1.7237 -1.7237 -1.4337 -1.4337 4.6867 4.6867 5.0370 5.0370 5.4150 5.4150 5.4364 5.4364 5.9204 5.9204 6.0441 6.0441 7.8342 7.8342 8.5016 8.5016 9.2953 9.2953 10.5918 10.5918 k = 0.3049 0.1760-0.0000 ( 17942 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5954 -20.5954 -20.5707 -20.5707 -7.3551 -7.3551 -7.2777 -7.2777 -5.5435 -5.5435 -5.4231 -5.4231 -5.2477 -5.2477 -5.1396 -5.1396 -1.7235 -1.7235 -1.4255 -1.4255 4.6127 4.6127 5.0793 5.0793 5.4050 5.4050 5.4108 5.4108 5.9130 5.9130 6.0393 6.0393 7.8109 7.8109 8.4472 8.4472 9.3811 9.3811 10.6864 10.6864 k = 0.3171 0.1831-0.0000 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5943 -20.5943 -20.5697 -20.5697 -7.3572 -7.3572 -7.2834 -7.2834 -5.5443 -5.5443 -5.4349 -5.4349 -5.2541 -5.2541 -5.1396 -5.1396 -1.7270 -1.7270 -1.4139 -1.4139 4.5422 4.5422 5.1160 5.1160 5.3850 5.3850 5.3965 5.3965 5.9124 5.9124 6.0357 6.0357 7.7860 7.7860 8.3933 8.3933 9.4718 9.4718 10.7154 10.7154 k = 0.3293 0.1901-0.0000 ( 17966 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5933 -20.5933 -20.5688 -20.5688 -7.3593 -7.3593 -7.2889 -7.2889 -5.5455 -5.5455 -5.4459 -5.4459 -5.2599 -5.2599 -5.1396 -5.1396 -1.7333 -1.7333 -1.3998 -1.3998 4.4752 4.4752 5.1463 5.1463 5.3606 5.3606 5.3881 5.3881 5.9189 5.9189 6.0332 6.0332 7.7604 7.7604 8.3400 8.3400 9.5667 9.5667 10.7160 10.7160 k = 0.3415 0.1971-0.0000 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5924 -20.5924 -20.5679 -20.5679 -7.3614 -7.3614 -7.2942 -7.2942 -5.5471 -5.5471 -5.4560 -5.4560 -5.2651 -5.2651 -5.1396 -5.1396 -1.7415 -1.7415 -1.3839 -1.3839 4.4119 4.4119 5.1700 5.1700 5.3372 5.3372 5.3804 5.3804 5.9323 5.9323 6.0317 6.0317 7.7344 7.7344 8.2877 8.2877 9.6650 9.6650 10.7200 10.7200 k = 0.3537 0.2042-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5914 -20.5914 -20.5670 -20.5670 -7.3635 -7.3635 -7.2993 -7.2993 -5.5491 -5.5491 -5.4651 -5.4651 -5.2698 -5.2698 -5.1395 -5.1395 -1.7511 -1.7511 -1.3672 -1.3672 4.3526 4.3526 5.1874 5.1874 5.3150 5.3150 5.3734 5.3734 5.9516 5.9516 6.0316 6.0316 7.7087 7.7087 8.2365 8.2365 9.7660 9.7660 10.7280 10.7280 k = 0.3659 0.2112-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5906 -20.5906 -20.5662 -20.5662 -7.3655 -7.3655 -7.3041 -7.3041 -5.5514 -5.5514 -5.4732 -5.4732 -5.2740 -5.2740 -5.1395 -5.1395 -1.7614 -1.7614 -1.3501 -1.3501 4.2974 4.2974 5.1990 5.1990 5.2942 5.2942 5.3671 5.3671 5.9744 5.9744 6.0341 6.0341 7.6836 7.6836 8.1868 8.1868 9.8688 9.8688 10.7399 10.7399 k = 0.3780 0.2183-0.0000 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5898 -20.5898 -20.5654 -20.5654 -7.3674 -7.3674 -7.3085 -7.3085 -5.5542 -5.5542 -5.4802 -5.4802 -5.2776 -5.2776 -5.1394 -5.1394 -1.7719 -1.7719 -1.3332 -1.3332 4.2465 4.2465 5.2057 5.2057 5.2750 5.2750 5.3615 5.3615 5.9952 5.9952 6.0433 6.0433 7.6596 7.6596 8.1389 8.1389 9.9727 9.9727 10.7556 10.7556 k = 0.3902 0.2253-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5890 -20.5890 -20.5647 -20.5647 -7.3692 -7.3692 -7.3127 -7.3127 -5.5571 -5.5571 -5.4863 -5.4863 -5.2808 -5.2808 -5.1393 -5.1393 -1.7822 -1.7822 -1.3170 -1.3170 4.1999 4.1999 5.2085 5.2085 5.2574 5.2574 5.3566 5.3566 6.0069 6.0069 6.0647 6.0647 7.6369 7.6369 8.0931 8.0931 10.0765 10.0765 10.7744 10.7744 k = 0.4024 0.2323-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5884 -20.5884 -20.5641 -20.5641 -7.3709 -7.3709 -7.3164 -7.3164 -5.5603 -5.5603 -5.4915 -5.4915 -5.2834 -5.2834 -5.1393 -5.1393 -1.7920 -1.7920 -1.3018 -1.3018 4.1578 4.1578 5.2083 5.2083 5.2416 5.2416 5.3524 5.3524 6.0113 6.0113 6.0948 6.0948 7.6159 7.6159 8.0500 8.0500 10.1794 10.1794 10.7958 10.7958 k = 0.4146 0.2394-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5877 -20.5877 -20.5635 -20.5635 -7.3724 -7.3724 -7.3198 -7.3198 -5.5634 -5.5634 -5.4958 -5.4958 -5.2856 -5.2856 -5.1392 -5.1392 -1.8012 -1.8012 -1.2878 -1.2878 4.1204 4.1204 5.2060 5.2060 5.2278 5.2278 5.3489 5.3489 6.0129 6.0129 6.1277 6.1277 7.5967 7.5967 8.0100 8.0100 10.2800 10.2800 10.8189 10.8189 k = 0.4268 0.2464-0.0000 ( 18006 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5872 -20.5872 -20.5630 -20.5630 -7.3738 -7.3738 -7.3228 -7.3228 -5.5665 -5.5665 -5.4994 -5.4994 -5.2875 -5.2875 -5.1392 -5.1392 -1.8094 -1.8094 -1.2752 -1.2752 4.0877 4.0877 5.2019 5.2019 5.2165 5.2165 5.3460 5.3460 6.0136 6.0136 6.1602 6.1602 7.5797 7.5797 7.9736 7.9736 10.3770 10.3770 10.8430 10.8430 k = 0.4390 0.2535-0.0000 ( 18008 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5867 -20.5867 -20.5625 -20.5625 -7.3750 -7.3750 -7.3253 -7.3253 -5.5693 -5.5693 -5.5023 -5.5023 -5.2889 -5.2889 -5.1391 -5.1391 -1.8167 -1.8167 -1.2643 -1.2643 4.0599 4.0599 5.1963 5.1963 5.2080 5.2080 5.3437 5.3437 6.0138 6.0138 6.1904 6.1904 7.5650 7.5650 7.9414 7.9414 10.4688 10.4688 10.8668 10.8668 k = 0.4512 0.2605-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5864 -20.5864 -20.5622 -20.5622 -7.3760 -7.3760 -7.3274 -7.3274 -5.5717 -5.5717 -5.5045 -5.5045 -5.2901 -5.2901 -5.1390 -5.1390 -1.8227 -1.8227 -1.2552 -1.2552 4.0370 4.0370 5.1899 5.1899 5.2023 5.2023 5.3419 5.3419 6.0139 6.0139 6.2169 6.2169 7.5528 7.5528 7.9140 7.9140 10.5536 10.5536 10.8876 10.8876 k = 0.4634 0.2676-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5861 -20.5861 -20.5619 -20.5619 -7.3767 -7.3767 -7.3291 -7.3291 -5.5737 -5.5737 -5.5062 -5.5062 -5.2909 -5.2909 -5.1390 -5.1390 -1.8275 -1.8275 -1.2479 -1.2479 4.0191 4.0191 5.1841 5.1841 5.1983 5.1983 5.3405 5.3405 6.0139 6.0139 6.2387 6.2387 7.5432 7.5432 7.8920 7.8920 10.6289 10.6289 10.8900 10.8900 k = 0.4756 0.2746-0.0000 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5859 -20.5859 -20.5617 -20.5617 -7.3773 -7.3773 -7.3302 -7.3302 -5.5752 -5.5752 -5.5074 -5.5074 -5.2915 -5.2915 -5.1390 -5.1390 -1.8310 -1.8310 -1.2427 -1.2427 4.0063 4.0063 5.1796 5.1796 5.1955 5.1955 5.3395 5.3395 6.0139 6.0139 6.2549 6.2549 7.5362 7.5362 7.8758 7.8758 10.6910 10.6910 10.8871 10.8871 k = 0.4878 0.2816-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5857 -20.5857 -20.5616 -20.5616 -7.3777 -7.3777 -7.3309 -7.3309 -5.5761 -5.5761 -5.5081 -5.5081 -5.2918 -5.2918 -5.1390 -5.1390 -1.8331 -1.8331 -1.2396 -1.2396 3.9985 3.9985 5.1769 5.1769 5.1938 5.1938 5.3390 5.3390 6.0139 6.0139 6.2649 6.2649 7.5320 7.5320 7.8659 7.8659 10.7339 10.7339 10.8849 10.8849 k = 0.5000 0.2887-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5857 -20.5857 -20.5615 -20.5615 -7.3778 -7.3778 -7.3312 -7.3312 -5.5764 -5.5764 -5.5083 -5.5083 -5.2920 -5.2920 -5.1389 -5.1389 -1.8338 -1.8338 -1.2385 -1.2385 3.9960 3.9960 5.1760 5.1760 5.1933 5.1933 5.3388 5.3388 6.0139 6.0139 6.2683 6.2683 7.5306 7.5306 7.8626 7.8626 10.7496 10.7496 10.8842 10.8842 k = 0.5000 0.2887-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5857 -20.5857 -20.5615 -20.5615 -7.3778 -7.3778 -7.3312 -7.3312 -5.5764 -5.5764 -5.5083 -5.5083 -5.2920 -5.2920 -5.1389 -5.1389 -1.8338 -1.8338 -1.2385 -1.2385 3.9960 3.9960 5.1760 5.1760 5.1933 5.1933 5.3388 5.3388 6.0139 6.0139 6.2683 6.2683 7.5306 7.5306 7.8626 7.8626 10.7496 10.7496 10.8842 10.8842 k = 0.4931 0.3007-0.0000 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5857 -20.5857 -20.5615 -20.5615 -7.3778 -7.3778 -7.3312 -7.3312 -5.5762 -5.5762 -5.5083 -5.5083 -5.2923 -5.2923 -5.1393 -5.1393 -1.8330 -1.8330 -1.2392 -1.2392 3.9971 3.9971 5.1712 5.1712 5.1944 5.1944 5.3442 5.3442 6.0074 6.0074 6.2669 6.2669 7.5381 7.5381 7.8647 7.8647 10.7214 10.7214 10.8391 10.8391 k = 0.4861 0.3127-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5856 -20.5856 -20.5615 -20.5615 -7.3778 -7.3778 -7.3313 -7.3313 -5.5758 -5.5758 -5.5083 -5.5083 -5.2934 -5.2934 -5.1402 -5.1402 -1.8304 -1.8304 -1.2414 -1.2414 4.0004 4.0004 5.1578 5.1578 5.1986 5.1986 5.3585 5.3585 5.9882 5.9882 6.2628 6.2628 7.5603 7.5603 7.8709 7.8709 10.6405 10.6405 10.8031 10.8031 k = 0.4792 0.3248-0.0000 ( 17972 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5856 -20.5856 -20.5614 -20.5614 -7.3778 -7.3778 -7.3315 -7.3315 -5.5751 -5.5751 -5.5082 -5.5082 -5.2952 -5.2952 -5.1416 -5.1416 -1.8263 -1.8263 -1.2449 -1.2449 4.0058 4.0058 5.1387 5.1387 5.2064 5.2064 5.3785 5.3785 5.9576 5.9576 6.2560 6.2560 7.5960 7.5960 7.8814 7.8814 10.5386 10.5386 10.7764 10.7764 k = 0.4722 0.3368-0.0000 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5855 -20.5855 -20.5613 -20.5613 -7.3777 -7.3777 -7.3318 -7.3318 -5.5742 -5.5742 -5.5080 -5.5080 -5.2976 -5.2976 -5.1436 -5.1436 -1.8205 -1.8205 -1.2499 -1.2499 4.0134 4.0134 5.1166 5.1166 5.2174 5.2174 5.4015 5.4015 5.9169 5.9169 6.2467 6.2467 7.6439 7.6439 7.8960 7.8960 10.4322 10.4322 10.7458 10.7458 k = 0.4653 0.3488-0.0000 ( 17966 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5853 -20.5853 -20.5612 -20.5612 -7.3777 -7.3777 -7.3321 -7.3321 -5.5731 -5.5731 -5.5078 -5.5078 -5.3007 -5.3007 -5.1462 -5.1462 -1.8131 -1.8131 -1.2561 -1.2561 4.0230 4.0230 5.0932 5.0932 5.2315 5.2315 5.4259 5.4259 5.8679 5.8679 6.2350 6.2350 7.7023 7.7023 7.9147 7.9147 10.3257 10.3257 10.7083 10.7083 k = 0.4583 0.3608-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5852 -20.5852 -20.5611 -20.5611 -7.3777 -7.3777 -7.3325 -7.3325 -5.5717 -5.5717 -5.5074 -5.5074 -5.3045 -5.3045 -5.1491 -5.1491 -1.8043 -1.8043 -1.2637 -1.2637 4.0347 4.0347 5.0694 5.0694 5.2485 5.2485 5.4508 5.4508 5.8123 5.8123 6.2209 6.2209 7.7697 7.7697 7.9376 7.9376 10.2204 10.2204 10.6632 10.6632 k = 0.4514 0.3729-0.0000 ( 17972 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5850 -20.5850 -20.5609 -20.5609 -7.3777 -7.3777 -7.3330 -7.3330 -5.5703 -5.5703 -5.5070 -5.5070 -5.3088 -5.3088 -5.1525 -5.1525 -1.7940 -1.7940 -1.2725 -1.2725 4.0484 4.0484 5.0459 5.0459 5.2682 5.2682 5.4756 5.4756 5.7517 5.7517 6.2048 6.2048 7.8447 7.8447 7.9644 7.9644 10.1170 10.1170 10.6111 10.6111 k = 0.4444 0.3849-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5849 -20.5849 -20.5607 -20.5607 -7.3776 -7.3776 -7.3335 -7.3335 -5.5688 -5.5688 -5.5063 -5.5063 -5.3136 -5.3136 -5.1561 -5.1561 -1.7825 -1.7825 -1.2824 -1.2824 4.0639 4.0639 5.0229 5.0229 5.2904 5.2904 5.4999 5.4999 5.6875 5.6875 6.1868 6.1868 7.9260 7.9260 7.9953 7.9953 10.0160 10.0160 10.5530 10.5530 k = 0.4375 0.3969-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5847 -20.5847 -20.5605 -20.5605 -7.3776 -7.3776 -7.3341 -7.3341 -5.5673 -5.5673 -5.5055 -5.5055 -5.3189 -5.3189 -5.1600 -5.1600 -1.7697 -1.7697 -1.2934 -1.2934 4.0812 4.0812 5.0008 5.0008 5.3148 5.3148 5.5233 5.5233 5.6211 5.6211 6.1669 6.1669 8.0120 8.0120 8.0309 8.0309 9.9175 9.9175 10.4903 10.4903 k = 0.4306 0.4090-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5844 -20.5844 -20.5603 -20.5603 -7.3776 -7.3776 -7.3347 -7.3347 -5.5658 -5.5658 -5.5043 -5.5043 -5.3246 -5.3246 -5.1640 -5.1640 -1.7559 -1.7559 -1.3054 -1.3054 4.1002 4.1002 4.9797 4.9797 5.3412 5.3412 5.5410 5.5410 5.5579 5.5579 6.1456 6.1456 8.0671 8.0671 8.1060 8.1060 9.8218 9.8218 10.4243 10.4243 k = 0.4236 0.4210-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5842 -20.5842 -20.5601 -20.5601 -7.3776 -7.3776 -7.3354 -7.3354 -5.5645 -5.5645 -5.5029 -5.5029 -5.3307 -5.3307 -5.1681 -5.1681 -1.7412 -1.7412 -1.3182 -1.3182 4.1207 4.1207 4.9599 4.9599 5.3693 5.3693 5.4826 5.4826 5.5692 5.5692 6.1229 6.1229 8.1093 8.1093 8.2018 8.2018 9.7289 9.7289 10.3563 10.3563 k = 0.4167 0.4330-0.0000 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5840 -20.5840 -20.5599 -20.5599 -7.3777 -7.3777 -7.3361 -7.3361 -5.5634 -5.5634 -5.5011 -5.5011 -5.3370 -5.3370 -5.1721 -5.1721 -1.7256 -1.7256 -1.3318 -1.3318 4.1425 4.1425 4.9414 4.9414 5.3987 5.3987 5.4143 5.4143 5.5893 5.5893 6.0991 6.0991 8.1545 8.1545 8.3017 8.3017 9.6390 9.6390 10.2873 10.2873 k = 0.4097 0.4450-0.0000 ( 17994 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5838 -20.5838 -20.5597 -20.5597 -7.3777 -7.3777 -7.3368 -7.3368 -5.5626 -5.5626 -5.4990 -5.4990 -5.3436 -5.3436 -5.1761 -5.1761 -1.7094 -1.7094 -1.3461 -1.3461 4.1655 4.1655 4.9243 4.9243 5.3466 5.3466 5.4290 5.4290 5.6086 5.6086 6.0744 6.0744 8.2028 8.2028 8.4051 8.4051 9.5521 9.5521 10.2181 10.2181 k = 0.4028 0.4571-0.0000 ( 17998 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5835 -20.5835 -20.5595 -20.5595 -7.3778 -7.3778 -7.3376 -7.3376 -5.5620 -5.5620 -5.4965 -5.4965 -5.3503 -5.3503 -5.1799 -5.1799 -1.6928 -1.6928 -1.3608 -1.3608 4.1894 4.1894 4.9087 4.9087 5.2803 5.2803 5.4598 5.4598 5.6268 5.6268 6.0491 6.0491 8.2538 8.2538 8.5117 8.5117 9.4684 9.4684 10.1496 10.1496 k = 0.3958 0.4691-0.0000 ( 17994 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5833 -20.5833 -20.5592 -20.5592 -7.3778 -7.3778 -7.3383 -7.3383 -5.5617 -5.5617 -5.4936 -5.4936 -5.3570 -5.3570 -5.1835 -5.1835 -1.6758 -1.6758 -1.3759 -1.3759 4.2140 4.2140 4.8947 4.8947 5.2162 5.2162 5.4904 5.4904 5.6440 5.6440 6.0234 6.0234 8.3072 8.3072 8.6211 8.6211 9.3880 9.3880 10.0824 10.0824 k = 0.3889 0.4811-0.0000 ( 17998 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5831 -20.5831 -20.5590 -20.5590 -7.3779 -7.3779 -7.3391 -7.3391 -5.5617 -5.5617 -5.4904 -5.4904 -5.3636 -5.3636 -5.1868 -5.1868 -1.6587 -1.6587 -1.3913 -1.3913 4.2390 4.2390 4.8822 4.8822 5.1548 5.1548 5.5203 5.5203 5.6606 5.6606 5.9975 5.9975 8.3625 8.3625 8.7330 8.7330 9.3108 9.3108 10.0167 10.0167 k = 0.3819 0.4932-0.0000 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5829 -20.5829 -20.5588 -20.5588 -7.3780 -7.3780 -7.3398 -7.3398 -5.5619 -5.5619 -5.4870 -5.4870 -5.3700 -5.3700 -5.1898 -5.1898 -1.6416 -1.6416 -1.4066 -1.4066 4.2638 4.2638 4.8714 4.8714 5.0970 5.0970 5.5485 5.5485 5.6768 5.6768 5.9718 5.9718 8.4194 8.4194 8.8470 8.8470 9.2372 9.2372 9.9531 9.9531 k = 0.3750 0.5052-0.0000 ( 17994 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5827 -20.5827 -20.5586 -20.5586 -7.3781 -7.3781 -7.3405 -7.3405 -5.5623 -5.5623 -5.4835 -5.4835 -5.3762 -5.3762 -5.1924 -5.1924 -1.6249 -1.6249 -1.4218 -1.4218 4.2880 4.2880 4.8620 4.8620 5.0436 5.0436 5.5741 5.5741 5.6935 5.6935 5.9464 5.9464 8.4771 8.4771 8.9620 8.9620 9.1677 9.1677 9.8918 9.8918 k = 0.3681 0.5172-0.0000 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5825 -20.5825 -20.5585 -20.5585 -7.3782 -7.3782 -7.3411 -7.3411 -5.5628 -5.5628 -5.4800 -5.4800 -5.3819 -5.3819 -5.1947 -5.1947 -1.6087 -1.6087 -1.4366 -1.4366 4.3109 4.3109 4.8539 4.8539 4.9957 4.9957 5.5959 5.5959 5.7111 5.7111 5.9216 5.9216 8.5350 8.5350 9.0666 9.0666 9.1131 9.1131 9.8331 9.8331 k = 0.3611 0.5292-0.0000 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5823 -20.5823 -20.5583 -20.5583 -7.3783 -7.3783 -7.3417 -7.3417 -5.5633 -5.5633 -5.4768 -5.4768 -5.3870 -5.3870 -5.1965 -5.1965 -1.5935 -1.5935 -1.4506 -1.4506 4.3317 4.3317 4.8468 4.8468 4.9546 4.9546 5.6131 5.6131 5.7301 5.7301 5.8977 5.8977 8.5924 8.5924 9.0318 9.0318 9.2012 9.2012 9.7772 9.7772 k = 0.3542 0.5413-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5822 -20.5822 -20.5582 -20.5582 -7.3784 -7.3784 -7.3422 -7.3422 -5.5639 -5.5639 -5.4739 -5.4739 -5.3913 -5.3913 -5.1980 -5.1980 -1.5799 -1.5799 -1.4633 -1.4633 4.3494 4.3494 4.8401 4.8401 4.9220 4.9220 5.6256 5.6256 5.7503 5.7503 5.8748 5.8748 8.6484 8.6484 8.9734 8.9734 9.3144 9.3144 9.7244 9.7244 k = 0.3472 0.5533-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5821 -20.5821 -20.5581 -20.5581 -7.3785 -7.3785 -7.3425 -7.3425 -5.5644 -5.5644 -5.4716 -5.4716 -5.3946 -5.3946 -5.1990 -5.1990 -1.5686 -1.5686 -1.4738 -1.4738 4.3629 4.3629 4.8335 4.8335 4.8996 4.8996 5.6338 5.6338 5.7708 5.7708 5.8535 5.8535 8.7017 8.7017 8.9184 8.9184 9.4222 9.4222 9.6749 9.6749 k = 0.3403 0.5653-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5581 -20.5581 -7.3786 -7.3786 -7.3428 -7.3428 -5.5647 -5.5647 -5.4701 -5.4701 -5.3966 -5.3966 -5.1996 -5.1996 -1.5609 -1.5609 -1.4810 -1.4810 4.3712 4.3712 4.8277 4.8277 4.8876 4.8876 5.6381 5.6381 5.7898 5.7898 5.8345 5.8345 8.7498 8.7498 8.8696 8.8696 9.5142 9.5142 9.6301 9.6301 k = 0.3333 0.5774-0.0000 ( 17952 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5580 -20.5580 -7.3786 -7.3786 -7.3429 -7.3429 -5.5648 -5.5648 -5.4696 -5.4696 -5.3973 -5.3973 -5.1998 -5.1998 -1.5583 -1.5583 -1.4835 -1.4835 4.3740 4.3740 4.8253 4.8253 4.8842 4.8842 5.6395 5.6395 5.8007 5.8007 5.8238 5.8238 8.7767 8.7767 8.8425 8.8425 9.5610 9.5610 9.6036 9.6036 k = 0.3333 0.5774-0.0000 ( 17952 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5580 -20.5580 -7.3786 -7.3786 -7.3429 -7.3429 -5.5648 -5.5648 -5.4696 -5.4696 -5.3973 -5.3973 -5.1998 -5.1998 -1.5583 -1.5583 -1.4835 -1.4835 4.3740 4.3740 4.8253 4.8253 4.8842 4.8842 5.6395 5.6395 5.8007 5.8007 5.8238 5.8238 8.7767 8.7767 8.8425 8.8425 9.5610 9.5610 9.6036 9.6036 k = 0.3262 0.5651-0.0000 ( 17968 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5581 -20.5581 -7.3785 -7.3785 -7.3428 -7.3428 -5.5647 -5.5647 -5.4701 -5.4701 -5.3966 -5.3966 -5.1996 -5.1996 -1.5607 -1.5607 -1.4813 -1.4813 4.3713 4.3713 4.8282 4.8282 4.8872 4.8872 5.6383 5.6383 5.7910 5.7910 5.8331 5.8331 8.7517 8.7517 8.8676 8.8676 9.5341 9.5341 9.6053 9.6053 k = 0.3191 0.5528-0.0000 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5821 -20.5821 -20.5581 -20.5581 -7.3785 -7.3785 -7.3425 -7.3425 -5.5642 -5.5642 -5.4716 -5.4716 -5.3946 -5.3946 -5.1990 -5.1990 -1.5667 -1.5667 -1.4758 -1.4758 4.3643 4.3643 4.8370 4.8370 4.8954 4.8954 5.6351 5.6351 5.7762 5.7762 5.8461 5.8461 8.7123 8.7123 8.9074 8.9074 9.4971 9.4971 9.5737 9.5737 k = 0.3121 0.5405-0.0000 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5822 -20.5822 -20.5582 -20.5582 -7.3783 -7.3783 -7.3420 -7.3420 -5.5633 -5.5633 -5.4737 -5.4737 -5.3914 -5.3914 -5.1981 -5.1981 -1.5743 -1.5743 -1.4691 -1.4691 4.3544 4.3544 4.8503 4.8503 4.9088 4.9088 5.6306 5.6306 5.7620 5.7620 5.8564 5.8564 8.6737 8.6737 8.9468 8.9468 9.4609 9.4609 9.5180 9.5180 k = 0.3050 0.5282-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5824 -20.5824 -20.5584 -20.5584 -7.3781 -7.3781 -7.3412 -7.3412 -5.5621 -5.5621 -5.4763 -5.4763 -5.3874 -5.3874 -5.1968 -5.1968 -1.5824 -1.5824 -1.4624 -1.4624 4.3434 4.3434 4.8661 4.8661 4.9275 4.9275 5.6251 5.6251 5.7489 5.7489 5.8629 5.8629 8.6381 8.6381 8.9842 8.9842 9.4215 9.4215 9.4566 9.4566 k = 0.2979 0.5159-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5826 -20.5826 -20.5586 -20.5586 -7.3777 -7.3777 -7.3402 -7.3402 -5.5604 -5.5604 -5.4792 -5.4792 -5.3827 -5.3827 -5.1953 -5.1953 -1.5900 -1.5900 -1.4565 -1.4565 4.3326 4.3326 4.8833 4.8833 4.9514 4.9514 5.6192 5.6192 5.7368 5.7368 5.8652 5.8652 8.6057 8.6057 9.0197 9.0197 9.3617 9.3617 9.4138 9.4138 k = 0.2908 0.5036-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5829 -20.5829 -20.5589 -20.5589 -7.3773 -7.3773 -7.3390 -7.3390 -5.5582 -5.5582 -5.4822 -5.4822 -5.3774 -5.3774 -5.1935 -5.1935 -1.5970 -1.5970 -1.4517 -1.4517 4.3234 4.3234 4.9014 4.9014 4.9797 4.9797 5.6134 5.6134 5.7258 5.7258 5.8629 5.8629 8.5770 8.5770 9.0535 9.0535 9.2889 9.2889 9.3856 9.3856 k = 0.2837 0.4914-0.0000 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5833 -20.5833 -20.5592 -20.5592 -7.3768 -7.3768 -7.3374 -7.3374 -5.5555 -5.5555 -5.4852 -5.4852 -5.3718 -5.3718 -5.1914 -5.1914 -1.6029 -1.6029 -1.4484 -1.4484 4.3165 4.3165 4.9203 4.9203 5.0115 5.0115 5.6079 5.6079 5.7157 5.7157 5.8557 5.8557 8.5518 8.5518 9.0854 9.0854 9.2152 9.2152 9.3629 9.3629 k = 0.2766 0.4791-0.0000 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5837 -20.5837 -20.5596 -20.5596 -7.3761 -7.3761 -7.3356 -7.3356 -5.5524 -5.5524 -5.4880 -5.4880 -5.3659 -5.3659 -5.1892 -5.1892 -1.6077 -1.6077 -1.4468 -1.4468 4.3127 4.3127 4.9404 4.9404 5.0457 5.0457 5.6029 5.6029 5.7067 5.7067 5.8437 5.8437 8.5303 8.5303 9.1025 9.1025 9.1568 9.1568 9.3438 9.3438 k = 0.2695 0.4668-0.0000 ( 17948 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5841 -20.5841 -20.5600 -20.5600 -7.3753 -7.3753 -7.3334 -7.3334 -5.5488 -5.5488 -5.4906 -5.4906 -5.3597 -5.3597 -5.1868 -5.1868 -1.6112 -1.6112 -1.4469 -1.4469 4.3125 4.3125 4.9619 4.9619 5.0816 5.0816 5.5984 5.5984 5.6987 5.6987 5.8269 5.8269 8.5125 8.5125 9.0511 9.0511 9.1692 9.1692 9.3282 9.3282 k = 0.2624 0.4545-0.0000 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5846 -20.5846 -20.5605 -20.5605 -7.3744 -7.3744 -7.3310 -7.3310 -5.5449 -5.5449 -5.4927 -5.4927 -5.3532 -5.3532 -5.1843 -5.1843 -1.6134 -1.6134 -1.4488 -1.4488 4.3162 4.3162 4.9848 4.9848 5.1187 5.1187 5.5943 5.5943 5.6920 5.6920 5.8056 5.8056 8.4984 8.4984 8.9805 8.9805 9.2042 9.2042 9.3159 9.3159 k = 0.2553 0.4422-0.0000 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5852 -20.5852 -20.5611 -20.5611 -7.3733 -7.3733 -7.3282 -7.3282 -5.5408 -5.5408 -5.4943 -5.4943 -5.3466 -5.3466 -5.1818 -5.1818 -1.6142 -1.6142 -1.4526 -1.4526 4.3241 4.3241 5.0093 5.0093 5.1563 5.1563 5.5901 5.5901 5.6870 5.6870 5.7804 5.7804 8.4879 8.4879 8.9095 8.9095 9.2428 9.2428 9.3076 9.3076 k = 0.2482 0.4299-0.0000 ( 17948 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5859 -20.5859 -20.5617 -20.5617 -7.3721 -7.3721 -7.3251 -7.3251 -5.5367 -5.5367 -5.4951 -5.4951 -5.3398 -5.3398 -5.1791 -5.1791 -1.6136 -1.6136 -1.4582 -1.4582 4.3363 4.3363 5.0352 5.0352 5.1942 5.1942 5.5847 5.5847 5.6842 5.6842 5.7520 5.7520 8.4811 8.4811 8.8401 8.8401 9.2768 9.2768 9.3102 9.3102 k = 0.2411 0.4177-0.0000 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5866 -20.5866 -20.5623 -20.5623 -7.3708 -7.3708 -7.3216 -7.3216 -5.5329 -5.5329 -5.4947 -5.4947 -5.3329 -5.3329 -5.1764 -5.1764 -1.6116 -1.6116 -1.4657 -1.4657 4.3531 4.3531 5.0626 5.0626 5.2321 5.2321 5.5766 5.5766 5.6840 5.6840 5.7222 5.7222 8.4779 8.4779 8.7726 8.7726 9.2848 9.2848 9.3449 9.3449 k = 0.2340 0.4054-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5873 -20.5873 -20.5631 -20.5631 -7.3694 -7.3694 -7.3179 -7.3179 -5.5300 -5.5300 -5.4927 -5.4927 -5.3257 -5.3257 -5.1737 -5.1737 -1.6083 -1.6083 -1.4750 -1.4750 4.3745 4.3745 5.0913 5.0913 5.2696 5.2696 5.5629 5.5629 5.6870 5.6870 5.6938 5.6938 8.4783 8.4783 8.7074 8.7074 9.2841 9.2841 9.3945 9.3945 k = 0.2270 0.3931-0.0000 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5881 -20.5881 -20.5638 -20.5638 -7.3678 -7.3678 -7.3139 -7.3139 -5.5281 -5.5281 -5.4888 -5.4888 -5.3183 -5.3183 -5.1711 -5.1711 -1.6037 -1.6037 -1.4860 -1.4860 4.4004 4.4004 5.1213 5.1213 5.3066 5.3066 5.5405 5.5405 5.6705 5.6705 5.6934 5.6934 8.4822 8.4822 8.6446 8.6446 9.2836 9.2836 9.4496 9.4496 k = 0.2199 0.3808-0.0000 ( 17974 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5890 -20.5890 -20.5646 -20.5646 -7.3661 -7.3661 -7.3095 -7.3095 -5.5274 -5.5274 -5.4830 -5.4830 -5.3108 -5.3108 -5.1685 -5.1685 -1.5979 -1.5979 -1.4986 -1.4986 4.4310 4.4310 5.1522 5.1522 5.3427 5.3427 5.5073 5.5073 5.6547 5.6547 5.7032 5.7032 8.4896 8.4896 8.5843 8.5843 9.2844 9.2844 9.5090 9.5090 k = 0.2128 0.3685-0.0000 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5899 -20.5899 -20.5655 -20.5655 -7.3644 -7.3644 -7.3049 -7.3049 -5.5275 -5.5275 -5.4755 -5.4755 -5.3030 -5.3030 -5.1659 -5.1659 -1.5913 -1.5913 -1.5124 -1.5124 4.4662 4.4662 5.1838 5.1838 5.3778 5.3778 5.4650 5.4650 5.6460 5.6460 5.7163 5.7163 8.5004 8.5004 8.5267 8.5267 9.2863 9.2863 9.5723 9.5723 k = 0.2057 0.3562-0.0000 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5908 -20.5908 -20.5664 -20.5664 -7.3626 -7.3626 -7.3000 -7.3000 -5.5282 -5.5282 -5.4668 -5.4668 -5.2950 -5.2950 -5.1634 -5.1634 -1.5846 -1.5846 -1.5266 -1.5266 4.5059 4.5059 5.2157 5.2157 5.4091 5.4091 5.4190 5.4190 5.6427 5.6427 5.7326 5.7326 8.4711 8.4711 8.5151 8.5151 9.2891 9.2891 9.6394 9.6394 k = 0.1986 0.3440-0.0000 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5918 -20.5918 -20.5673 -20.5673 -7.3607 -7.3607 -7.2949 -7.2949 -5.5293 -5.5293 -5.4569 -5.4569 -5.2868 -5.2868 -5.1610 -5.1610 -1.5804 -1.5804 -1.5388 -1.5388 4.5501 4.5501 5.2464 5.2464 5.3633 5.3633 5.4450 5.4450 5.6437 5.6437 5.7518 5.7518 8.4184 8.4184 8.5326 8.5326 9.2925 9.2925 9.7099 9.7099 k = 0.1915 0.3317-0.0000 ( 17972 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5928 -20.5928 -20.5683 -20.5683 -7.3587 -7.3587 -7.2896 -7.2896 -5.5306 -5.5306 -5.4462 -5.4462 -5.2784 -5.2784 -5.1588 -5.1588 -1.5848 -1.5848 -1.5425 -1.5425 4.5986 4.5986 5.2675 5.2675 5.3171 5.3171 5.4761 5.4761 5.6487 5.6487 5.7737 5.7737 8.3682 8.3682 8.5534 8.5534 9.2960 9.2960 9.7835 9.7835 k = 0.1844 0.3194-0.0000 ( 17990 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5939 -20.5939 -20.5693 -20.5693 -7.3567 -7.3567 -7.2841 -7.2841 -5.5319 -5.5319 -5.4347 -5.4347 -5.2698 -5.2698 -5.1566 -5.1566 -1.5996 -1.5996 -1.5362 -1.5362 4.6513 4.6513 5.2339 5.2339 5.3222 5.3222 5.5055 5.5055 5.6578 5.6578 5.7982 5.7982 8.3203 8.3203 8.5774 8.5774 9.2993 9.2993 9.8600 9.8600 k = 0.1773 0.3071-0.0000 ( 18002 PWs) bands (ev): -39.0581 -39.0581 -39.0580 -39.0580 -20.5950 -20.5950 -20.5704 -20.5704 -7.3547 -7.3547 -7.2784 -7.2784 -5.5334 -5.5334 -5.4224 -5.4224 -5.2609 -5.2609 -5.1545 -5.1545 -1.6192 -1.6192 -1.5252 -1.5252 4.7081 4.7081 5.1754 5.1754 5.3491 5.3491 5.5332 5.5332 5.6713 5.6713 5.8251 5.8251 8.2747 8.2747 8.6043 8.6043 9.3019 9.3019 9.9387 9.9387 k = 0.1702 0.2948-0.0000 ( 17980 PWs) bands (ev): -39.0581 -39.0581 -39.0580 -39.0580 -20.5961 -20.5961 -20.5714 -20.5714 -7.3527 -7.3527 -7.2726 -7.2726 -5.5349 -5.5349 -5.4096 -5.4096 -5.2519 -5.2519 -5.1526 -5.1526 -1.6411 -1.6411 -1.5121 -1.5121 4.7688 4.7688 5.1133 5.1133 5.3764 5.3764 5.5590 5.5590 5.6897 5.6897 5.8543 5.8543 8.2312 8.2312 8.6341 8.6341 9.3033 9.3033 9.9018 9.9018 k = 0.1631 0.2825-0.0000 ( 17982 PWs) bands (ev): -39.0581 -39.0581 -39.0580 -39.0580 -20.5972 -20.5972 -20.5725 -20.5725 -7.3507 -7.3507 -7.2666 -7.2666 -5.5364 -5.5364 -5.3962 -5.3962 -5.2427 -5.2427 -5.1508 -5.1508 -1.6645 -1.6645 -1.4978 -1.4978 4.8333 4.8333 5.0499 5.0499 5.4018 5.4018 5.5831 5.5831 5.7131 5.7131 5.8856 5.8856 8.1896 8.1896 8.6667 8.6667 9.3029 9.3029 9.8115 9.8115 k = 0.1560 0.2702-0.0000 ( 17986 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5983 -20.5983 -20.5736 -20.5736 -7.3487 -7.3487 -7.2607 -7.2607 -5.5379 -5.5379 -5.3823 -5.3823 -5.2333 -5.2333 -5.1491 -5.1491 -1.6889 -1.6889 -1.4826 -1.4826 4.9012 4.9012 4.9860 4.9860 5.4249 5.4249 5.6055 5.6055 5.7415 5.7415 5.9188 5.9188 8.1498 8.1498 8.7017 8.7017 9.3003 9.3003 9.7242 9.7242 k = 0.1489 0.2580-0.0000 ( 17990 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5995 -20.5995 -20.5747 -20.5747 -7.3467 -7.3467 -7.2546 -7.2546 -5.5393 -5.5393 -5.3681 -5.3681 -5.2238 -5.2238 -5.1476 -5.1476 -1.7140 -1.7140 -1.4667 -1.4667 4.9220 4.9220 4.9725 4.9725 5.4457 5.4457 5.6263 5.6263 5.7745 5.7745 5.9538 5.9538 8.1114 8.1114 8.7391 8.7391 9.2950 9.2950 9.6405 9.6405 k = 0.1418 0.2457-0.0000 ( 17992 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6006 -20.6006 -20.5758 -20.5758 -7.3448 -7.3448 -7.2486 -7.2486 -5.5407 -5.5407 -5.3534 -5.3534 -5.2142 -5.2142 -5.1462 -5.1462 -1.7396 -1.7396 -1.4504 -1.4504 4.8585 4.8585 5.0466 5.0466 5.4644 5.4644 5.6455 5.6455 5.8116 5.8116 5.9904 5.9904 8.0742 8.0742 8.7787 8.7787 9.2866 9.2866 9.5610 9.5610 k = 0.1348 0.2334-0.0000 ( 17990 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6018 -20.6018 -20.5768 -20.5768 -7.3430 -7.3430 -7.2427 -7.2427 -5.5421 -5.5421 -5.3386 -5.3386 -5.2045 -5.2045 -5.1449 -5.1449 -1.7656 -1.7656 -1.4338 -1.4338 4.7958 4.7958 5.1233 5.1233 5.4816 5.4816 5.6632 5.6632 5.8522 5.8522 6.0283 6.0283 8.0379 8.0379 8.8201 8.8201 9.2747 9.2747 9.4864 9.4864 k = 0.1277 0.2211-0.0000 ( 17993 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6029 -20.6029 -20.5779 -20.5779 -7.3412 -7.3412 -7.2368 -7.2368 -5.5435 -5.5435 -5.3235 -5.3235 -5.1948 -5.1948 -5.1437 -5.1437 -1.7917 -1.7917 -1.4170 -1.4170 4.7342 4.7342 5.2022 5.2022 5.4977 5.4977 5.6797 5.6797 5.8955 5.8955 6.0674 6.0674 8.0025 8.0025 8.8630 8.8630 9.2592 9.2592 9.4169 9.4169 k = 0.1206 0.2088-0.0000 ( 17987 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6040 -20.6040 -20.5790 -20.5790 -7.3396 -7.3396 -7.2310 -7.2310 -5.5447 -5.5447 -5.3083 -5.3083 -5.1852 -5.1852 -5.1426 -5.1426 -1.8178 -1.8178 -1.4002 -1.4002 4.6740 4.6740 5.2824 5.2824 5.5130 5.5130 5.6954 5.6954 5.9410 5.9410 6.1074 6.1074 7.9676 7.9676 8.9072 8.9072 9.2400 9.2400 9.3530 9.3530 k = 0.1135 0.1965-0.0000 ( 17995 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6051 -20.6051 -20.5800 -20.5800 -7.3380 -7.3380 -7.2254 -7.2254 -5.5460 -5.5460 -5.2932 -5.2932 -5.1756 -5.1756 -5.1417 -5.1417 -1.8436 -1.8436 -1.3835 -1.3835 4.6155 4.6155 5.3630 5.3630 5.5280 5.5280 5.7111 5.7111 5.9881 5.9881 6.1481 6.1481 7.9331 7.9331 8.9523 8.9523 9.2172 9.2172 9.2947 9.2947 k = 0.1064 0.1843-0.0000 ( 18005 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6061 -20.6061 -20.5810 -20.5810 -7.3364 -7.3364 -7.2200 -7.2200 -5.5471 -5.5471 -5.2781 -5.2781 -5.1662 -5.1662 -5.1408 -5.1408 -1.8691 -1.8691 -1.3670 -1.3670 4.5591 4.5591 5.4423 5.4423 5.5427 5.5427 5.7283 5.7283 6.0360 6.0360 6.1892 6.1892 7.8991 7.8991 8.9977 8.9977 9.1910 9.1910 9.2422 9.2422 k = 0.0993 0.1720-0.0000 ( 17999 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6071 -20.6071 -20.5819 -20.5819 -7.3350 -7.3350 -7.2147 -7.2147 -5.5482 -5.5482 -5.2632 -5.2632 -5.1570 -5.1570 -5.1401 -5.1401 -1.8940 -1.8940 -1.3509 -1.3509 4.5049 4.5049 5.5166 5.5166 5.5576 5.5576 5.7500 5.7500 6.0844 6.0844 6.2303 6.2303 7.8654 7.8654 9.0429 9.0429 9.1619 9.1619 9.1956 9.1956 k = 0.0922 0.1597-0.0000 ( 18011 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6081 -20.6081 -20.5829 -20.5829 -7.3337 -7.3337 -7.2097 -7.2097 -5.5493 -5.5493 -5.2487 -5.2487 -5.1480 -5.1480 -5.1394 -5.1394 -1.9181 -1.9181 -1.3354 -1.3354 4.4533 4.4533 5.5701 5.5701 5.5826 5.5826 5.7819 5.7819 6.1326 6.1326 6.2712 6.2712 7.8323 7.8323 9.0858 9.0858 9.1305 9.1305 9.1557 9.1557 k = 0.0851 0.1474-0.0000 ( 18007 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6090 -20.6090 -20.5837 -20.5837 -7.3325 -7.3325 -7.2050 -7.2050 -5.5502 -5.5502 -5.2346 -5.2346 -5.1396 -5.1396 -5.1385 -5.1385 -1.9413 -1.9413 -1.3204 -1.3204 4.4044 4.4044 5.5857 5.5857 5.6281 5.6281 5.8304 5.8304 6.1802 6.1802 6.3115 6.3115 7.8000 7.8000 9.0960 9.0960 9.1060 9.1060 9.1437 9.1437 k = 0.0780 0.1351-0.0000 ( 18013 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6099 -20.6099 -20.5846 -20.5846 -7.3314 -7.3314 -7.2005 -7.2005 -5.5511 -5.5511 -5.2210 -5.2210 -5.1383 -5.1383 -5.1311 -5.1311 -1.9634 -1.9634 -1.3062 -1.3062 4.3586 4.3586 5.6000 5.6000 5.6566 5.6566 5.8955 5.8955 6.2266 6.2266 6.3508 6.3508 7.7686 7.7686 9.0623 9.0623 9.0782 9.0782 9.1803 9.1803 k = 0.0709 0.1228-0.0000 ( 18025 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6107 -20.6107 -20.5853 -20.5853 -7.3305 -7.3305 -7.1964 -7.1964 -5.5519 -5.5519 -5.2081 -5.2081 -5.1379 -5.1379 -5.1233 -5.1233 -1.9843 -1.9843 -1.2928 -1.2928 4.3160 4.3160 5.6140 5.6140 5.6732 5.6732 5.9708 5.9708 6.2715 6.2715 6.3889 6.3889 7.7384 7.7384 9.0279 9.0279 9.0490 9.0490 9.2201 9.2201 k = 0.0638 0.1106-0.0000 ( 18013 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6114 -20.6114 -20.5861 -20.5861 -7.3296 -7.3296 -7.1926 -7.1926 -5.5526 -5.5526 -5.1960 -5.1960 -5.1375 -5.1375 -5.1160 -5.1160 -2.0037 -2.0037 -1.2804 -1.2804 4.2768 4.2768 5.6274 5.6274 5.6830 5.6830 6.0502 6.0502 6.3143 6.3143 6.4251 6.4251 7.7098 7.7098 8.9940 8.9940 9.0214 9.0214 9.2578 9.2578 k = 0.0567 0.0983-0.0000 ( 17997 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6121 -20.6121 -20.5867 -20.5867 -7.3288 -7.3288 -7.1891 -7.1891 -5.5533 -5.5533 -5.1848 -5.1848 -5.1371 -5.1371 -5.1093 -5.1093 -2.0216 -2.0216 -1.2690 -1.2690 4.2412 4.2412 5.6402 5.6402 5.6892 5.6892 6.1298 6.1298 6.3546 6.3546 6.4593 6.4593 7.6831 7.6831 8.9614 8.9614 8.9950 8.9950 9.2924 9.2924 k = 0.0496 0.0860-0.0000 ( 17977 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6127 -20.6127 -20.5873 -20.5873 -7.3281 -7.3281 -7.1860 -7.1860 -5.5539 -5.5539 -5.1746 -5.1746 -5.1368 -5.1368 -5.1033 -5.1033 -2.0377 -2.0377 -1.2587 -1.2587 4.2094 4.2094 5.6520 5.6520 5.6931 5.6931 6.2069 6.2069 6.3921 6.3921 6.4909 6.4909 7.6587 7.6587 8.9307 8.9307 8.9688 8.9688 9.3231 9.3231 k = 0.0426 0.0737-0.0000 ( 17981 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6133 -20.6133 -20.5878 -20.5878 -7.3275 -7.3275 -7.1833 -7.1833 -5.5544 -5.5544 -5.1655 -5.1655 -5.1366 -5.1366 -5.0979 -5.0979 -2.0520 -2.0520 -1.2497 -1.2497 4.1816 4.1816 5.6627 5.6627 5.6957 5.6957 6.2789 6.2789 6.4265 6.4265 6.5195 6.5195 7.6367 7.6367 8.9027 8.9027 8.9421 8.9421 9.3491 9.3491 k = 0.0355 0.0614-0.0000 ( 17973 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6137 -20.6137 -20.5882 -20.5882 -7.3270 -7.3270 -7.1810 -7.1810 -5.5548 -5.5548 -5.1577 -5.1577 -5.1364 -5.1364 -5.0933 -5.0933 -2.0643 -2.0643 -1.2419 -1.2419 4.1577 4.1577 5.6719 5.6719 5.6976 5.6976 6.3435 6.3435 6.4578 6.4578 6.5448 6.5448 7.6176 7.6176 8.8779 8.8779 8.9146 8.9146 9.3695 9.3695 k = 0.0284 0.0491-0.0000 ( 17991 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6141 -20.6141 -20.5886 -20.5886 -7.3266 -7.3266 -7.1791 -7.1791 -5.5552 -5.5552 -5.1511 -5.1511 -5.1362 -5.1362 -5.0894 -5.0894 -2.0745 -2.0745 -1.2355 -1.2355 4.1381 4.1381 5.6794 5.6794 5.6992 5.6992 6.3977 6.3977 6.4864 6.4864 6.5665 6.5665 7.6015 7.6015 8.8567 8.8567 8.8869 8.8869 9.3356 9.3356 k = 0.0213 0.0369-0.0000 ( 17997 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6144 -20.6144 -20.5889 -20.5889 -7.3263 -7.3263 -7.1776 -7.1776 -5.5554 -5.5554 -5.1460 -5.1460 -5.1360 -5.1360 -5.0864 -5.0864 -2.0826 -2.0826 -1.2304 -1.2304 4.1227 4.1227 5.6848 5.6848 5.7009 5.7009 6.4389 6.4389 6.5126 6.5126 6.5841 6.5841 7.5886 7.5886 8.8395 8.8395 8.8612 8.8612 9.2941 9.2941 k = 0.0142 0.0246-0.0000 ( 17997 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6146 -20.6146 -20.5891 -20.5891 -7.3261 -7.3261 -7.1766 -7.1766 -5.5556 -5.5556 -5.1424 -5.1424 -5.1358 -5.1358 -5.0842 -5.0842 -2.0884 -2.0884 -1.2267 -1.2267 4.1117 4.1117 5.6881 5.6881 5.7026 5.7026 6.4662 6.4662 6.5349 6.5349 6.5975 6.5975 7.5793 7.5793 8.8263 8.8263 8.8404 8.8404 9.2660 9.2660 k = 0.0071 0.0123-0.0000 ( 17989 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5892 -20.5892 -7.3260 -7.3260 -7.1759 -7.1759 -5.5557 -5.5557 -5.1403 -5.1403 -5.1355 -5.1355 -5.0828 -5.0828 -2.0919 -2.0919 -1.2245 -1.2245 4.1050 4.1050 5.6898 5.6898 5.7039 5.7039 6.4811 6.4811 6.5501 6.5501 6.6060 6.6060 7.5737 7.5737 8.8169 8.8169 8.8278 8.8278 9.2499 9.2499 k = 0.0000 0.0000 0.0000 ( 17987 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5893 -20.5893 -7.3259 -7.3259 -7.1757 -7.1757 -5.5558 -5.5558 -5.1396 -5.1396 -5.1354 -5.1354 -5.0824 -5.0824 -2.0931 -2.0931 -1.2238 -1.2238 4.1028 4.1028 5.6903 5.6903 5.7045 5.7045 6.4858 6.4858 6.5555 6.5555 6.6090 6.6090 7.5718 7.5718 8.8132 8.8132 8.8239 8.8240 9.2447 9.2447 k = 0.0000 0.0000 0.0000 ( 17987 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5893 -20.5893 -7.3259 -7.3259 -7.1757 -7.1757 -5.5558 -5.5558 -5.1396 -5.1396 -5.1354 -5.1354 -5.0824 -5.0824 -2.0931 -2.0931 -1.2238 -1.2238 4.1028 4.1028 5.6903 5.6903 5.7045 5.7045 6.4858 6.4858 6.5555 6.5555 6.6090 6.6090 7.5718 7.5718 8.8132 8.8132 8.8239 8.8240 9.2447 9.2447 k = 0.0000 0.0000 0.0138 ( 17993 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6148 -20.6148 -20.5893 -20.5893 -7.3256 -7.3256 -7.1759 -7.1759 -5.5553 -5.5553 -5.1395 -5.1395 -5.1364 -5.1364 -5.0825 -5.0825 -2.0915 -2.0915 -1.2253 -1.2253 4.1056 4.1056 5.6913 5.6913 5.7055 5.7055 6.4819 6.4819 6.5533 6.5533 6.5980 6.5980 7.5839 7.5839 8.8151 8.8151 8.8259 8.8259 9.2495 9.2495 k = 0.0000 0.0000 0.0275 ( 17981 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6146 -20.6146 -20.5894 -20.5894 -7.3248 -7.3248 -7.1766 -7.1766 -5.5537 -5.5537 -5.1393 -5.1393 -5.1393 -5.1393 -5.0828 -5.0828 -2.0867 -2.0867 -1.2297 -1.2297 4.1139 4.1139 5.6944 5.6944 5.7087 5.7087 6.4685 6.4685 6.5468 6.5468 6.5684 6.5684 7.6185 7.6185 8.8209 8.8209 8.8319 8.8319 9.2639 9.2639 k = 0.0000 0.0000 0.0413 ( 17981 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6144 -20.6144 -20.5897 -20.5897 -7.3233 -7.3233 -7.1776 -7.1776 -5.5511 -5.5511 -5.1442 -5.1442 -5.1388 -5.1388 -5.0833 -5.0833 -2.0788 -2.0788 -1.2370 -1.2370 4.1277 4.1277 5.6996 5.6996 5.7141 5.7141 6.4396 6.4396 6.5309 6.5309 6.5362 6.5362 7.6714 7.6714 8.8305 8.8305 8.8417 8.8417 9.2877 9.2877 k = 0.0000 0.0000 0.0551 ( 17993 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6141 -20.6141 -20.5900 -20.5900 -7.3212 -7.3212 -7.1791 -7.1791 -5.5475 -5.5475 -5.1508 -5.1508 -5.1381 -5.1381 -5.0840 -5.0840 -2.0678 -2.0678 -1.2471 -1.2471 4.1470 4.1470 5.7069 5.7069 5.7215 5.7215 6.3875 6.3875 6.4982 6.4982 6.5216 6.5216 7.7376 7.7376 8.8440 8.8440 8.8555 8.8555 9.3207 9.3207 k = 0.0000 0.0000 0.0688 ( 18017 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6137 -20.6137 -20.5903 -20.5903 -7.3187 -7.3187 -7.1811 -7.1811 -5.5428 -5.5428 -5.1592 -5.1592 -5.1373 -5.1373 -5.0849 -5.0849 -2.0540 -2.0540 -1.2601 -1.2601 4.1717 4.1717 5.7161 5.7161 5.7311 5.7311 6.3154 6.3154 6.4717 6.4717 6.5032 6.5032 7.8131 7.8131 8.8613 8.8613 8.8732 8.8732 9.3626 9.3626 k = 0.0000 0.0000 0.0826 ( 18017 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6133 -20.6133 -20.5908 -20.5908 -7.3155 -7.3155 -7.1834 -7.1834 -5.5371 -5.5371 -5.1693 -5.1693 -5.1362 -5.1362 -5.0859 -5.0859 -2.0372 -2.0372 -1.2756 -1.2756 4.2016 4.2016 5.7274 5.7274 5.7427 5.7427 6.2315 6.2315 6.4467 6.4467 6.4815 6.4815 7.8951 7.8951 8.8824 8.8824 8.8948 8.8948 9.4129 9.4129 k = 0.0000 0.0000 0.0963 ( 18011 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6127 -20.6127 -20.5914 -20.5914 -7.3119 -7.3119 -7.1861 -7.1861 -5.5304 -5.5304 -5.1808 -5.1808 -5.1350 -5.1350 -5.0871 -5.0871 -2.0179 -2.0179 -1.2938 -1.2938 4.2367 4.2367 5.7407 5.7407 5.7563 5.7563 6.1408 6.1408 6.4209 6.4209 6.4569 6.4569 7.9815 7.9815 8.9072 8.9072 8.9203 8.9203 9.4709 9.4709 k = 0.0000 0.0000 0.1101 ( 18023 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6121 -20.6121 -20.5920 -20.5920 -7.3079 -7.3079 -7.1892 -7.1892 -5.5226 -5.5226 -5.1937 -5.1937 -5.1337 -5.1337 -5.0885 -5.0885 -1.9960 -1.9960 -1.3143 -1.3143 4.2768 4.2768 5.7559 5.7559 5.7719 5.7719 6.0461 6.0461 6.3935 6.3935 6.4296 6.4296 8.0711 8.0711 8.9358 8.9358 8.9495 8.9495 9.5361 9.5361 k = 0.0000 0.0000 0.1239 ( 18011 PWs) bands (ev): -39.0582 -39.0582 -39.0581 -39.0581 -20.6114 -20.6114 -20.5927 -20.5927 -7.3034 -7.3034 -7.1928 -7.1928 -5.5139 -5.5139 -5.2078 -5.2078 -5.1322 -5.1322 -5.0901 -5.0901 -1.9718 -1.9718 -1.3371 -1.3371 4.3218 4.3218 5.7730 5.7730 5.7895 5.7895 5.9490 5.9490 6.3644 6.3644 6.4000 6.4000 8.1632 8.1632 8.9681 8.9681 8.9824 8.9824 9.6074 9.6074 k = 0.0000 0.0000 0.1376 ( 17981 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6107 -20.6107 -20.5934 -20.5934 -7.2985 -7.2985 -7.1967 -7.1967 -5.5042 -5.5042 -5.2229 -5.2229 -5.1305 -5.1305 -5.0918 -5.0918 -1.9455 -1.9455 -1.3620 -1.3620 4.3715 4.3715 5.7919 5.7919 5.8090 5.8090 5.8506 5.8506 6.3339 6.3339 6.3686 6.3686 8.2573 8.2573 9.0041 9.0041 9.0191 9.0191 9.6814 9.6833 k = 0.0000 0.0000 0.1514 ( 17986 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6099 -20.6099 -20.5942 -20.5942 -7.2932 -7.2932 -7.2009 -7.2009 -5.4935 -5.4935 -5.2389 -5.2389 -5.1287 -5.1287 -5.0936 -5.0936 -1.9173 -1.9173 -1.3888 -1.3888 4.4258 4.4258 5.7518 5.7518 5.8126 5.8126 5.8304 5.8304 6.3020 6.3020 6.3358 6.3358 8.3533 8.3533 9.0436 9.0436 9.0593 9.0593 9.7122 9.7122 k = 0.0000 0.0000 0.1652 ( 18010 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6090 -20.6090 -20.5951 -20.5951 -7.2877 -7.2877 -7.2055 -7.2055 -5.4819 -5.4819 -5.2555 -5.2555 -5.1268 -5.1268 -5.0955 -5.0955 -1.8874 -1.8874 -1.4174 -1.4174 4.4845 4.4845 5.6532 5.6532 5.8351 5.8351 5.8535 5.8535 6.2691 6.2691 6.3018 6.3018 8.4509 8.4509 9.0865 9.0865 9.1030 9.1030 9.7340 9.7340 k = 0.0000 0.0000 0.1789 ( 18016 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6081 -20.6081 -20.5960 -20.5960 -7.2819 -7.2819 -7.2104 -7.2104 -5.4694 -5.4694 -5.2727 -5.2727 -5.1248 -5.1248 -5.0976 -5.0976 -1.8561 -1.8561 -1.4476 -1.4476 4.5473 4.5473 5.5553 5.5553 5.8592 5.8592 5.8783 5.8783 6.2356 6.2356 6.2671 6.2671 8.5503 8.5503 9.1329 9.1329 9.1500 9.1500 9.7401 9.7401 k = 0.0000 0.0000 0.1927 ( 17998 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6072 -20.6072 -20.5969 -20.5969 -7.2760 -7.2760 -7.2156 -7.2156 -5.4561 -5.4561 -5.2903 -5.2903 -5.1227 -5.1227 -5.0997 -5.0997 -1.8235 -1.8235 -1.4791 -1.4791 4.6142 4.6142 5.4585 5.4585 5.8848 5.8848 5.9048 5.9048 6.2015 6.2015 6.2319 6.2319 8.6513 8.6513 9.1824 9.1824 9.2003 9.2003 9.7297 9.7297 k = 0.0000 0.0000 0.2064 ( 18004 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6062 -20.6062 -20.5979 -20.5979 -7.2698 -7.2698 -7.2210 -7.2210 -5.4419 -5.4419 -5.3080 -5.3080 -5.1205 -5.1205 -5.1019 -5.1019 -1.7899 -1.7899 -1.5118 -1.5118 4.6849 4.6849 5.3631 5.3631 5.9120 5.9120 5.9327 5.9327 6.1673 6.1673 6.1964 6.1964 8.7540 8.7540 9.2348 9.2348 9.2534 9.2534 9.6219 9.6219 k = 0.0000 0.0000 0.2202 ( 17998 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6052 -20.6052 -20.5989 -20.5989 -7.2636 -7.2636 -7.2267 -7.2267 -5.4270 -5.4270 -5.3259 -5.3259 -5.1182 -5.1182 -5.1042 -5.1042 -1.7556 -1.7556 -1.5454 -1.5454 4.7593 4.7593 5.2695 5.2695 5.9405 5.9405 5.9621 5.9621 6.1331 6.1331 6.1611 6.1611 8.8584 8.8584 9.2894 9.2894 9.3092 9.3092 9.5135 9.5135 k = 0.0000 0.0000 0.2340 ( 17980 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6042 -20.6042 -20.6000 -20.6000 -7.2573 -7.2573 -7.2326 -7.2326 -5.4113 -5.4113 -5.3436 -5.3436 -5.1159 -5.1159 -5.1065 -5.1065 -1.7206 -1.7206 -1.5798 -1.5798 4.8370 4.8370 5.1779 5.1779 5.9703 5.9703 5.9929 5.9929 6.0992 6.0992 6.1260 6.1260 8.9642 8.9642 9.3408 9.3408 9.3671 9.3671 9.4101 9.4101 k = 0.0000 0.0000 0.2477 ( 17968 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6031 -20.6031 -20.6010 -20.6010 -7.2510 -7.2510 -7.2386 -7.2386 -5.3951 -5.3951 -5.3611 -5.3611 -5.1136 -5.1136 -5.1089 -5.1089 -1.6854 -1.6854 -1.6147 -1.6147 4.9179 4.9179 5.0886 5.0886 6.0012 6.0012 6.0248 6.0248 6.0658 6.0658 6.0915 6.0915 9.0714 9.0714 9.2863 9.2863 9.4148 9.4148 9.4266 9.4266 k = 0.0000 0.0000 0.2615 ( 17992 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6021 -20.6021 -20.6021 -20.6021 -7.2448 -7.2448 -7.2448 -7.2448 -5.3783 -5.3783 -5.3783 -5.3783 -5.1112 -5.1112 -5.1112 -5.1112 -1.6500 -1.6500 -1.6500 -1.6500 5.0019 5.0019 5.0019 5.0019 6.0331 6.0331 6.0331 6.0331 6.0577 6.0577 6.0577 6.0577 9.1793 9.1793 9.1793 9.1793 9.4740 9.4740 9.4740 9.4740 k = 0.0000 0.0000 0.2615 ( 17992 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6021 -20.6021 -20.6021 -20.6021 -7.2448 -7.2448 -7.2448 -7.2448 -5.3783 -5.3783 -5.3783 -5.3783 -5.1112 -5.1112 -5.1112 -5.1112 -1.6500 -1.6500 -1.6500 -1.6500 5.0019 5.0019 5.0019 5.0019 6.0331 6.0331 6.0331 6.0331 6.0577 6.0577 6.0577 6.0577 9.1793 9.1793 9.1793 9.1793 9.4740 9.4740 9.4740 9.4740 k = 0.0122 0.0070 0.2615 ( 17996 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6020 -20.6020 -20.6020 -20.6020 -7.2449 -7.2449 -7.2449 -7.2449 -5.3784 -5.3784 -5.3784 -5.3784 -5.1117 -5.1117 -5.1117 -5.1117 -1.6497 -1.6497 -1.6497 -1.6497 5.0018 5.0018 5.0018 5.0018 6.0320 6.0320 6.0320 6.0320 6.0567 6.0567 6.0567 6.0567 9.1796 9.1796 9.1796 9.1796 9.4721 9.4721 9.4721 9.4721 k = 0.0244 0.0141 0.2615 ( 18012 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6019 -20.6019 -20.6019 -20.6019 -7.2453 -7.2453 -7.2453 -7.2453 -5.3785 -5.3785 -5.3785 -5.3785 -5.1132 -5.1132 -5.1132 -5.1132 -1.6488 -1.6488 -1.6488 -1.6488 5.0014 5.0014 5.0014 5.0014 6.0286 6.0286 6.0286 6.0286 6.0538 6.0538 6.0538 6.0538 9.1799 9.1799 9.1799 9.1799 9.4649 9.4649 9.4649 9.4650 k = 0.0366 0.0211 0.2615 ( 18002 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6017 -20.6017 -20.6017 -20.6017 -7.2459 -7.2459 -7.2459 -7.2459 -5.3787 -5.3787 -5.3787 -5.3787 -5.1157 -5.1157 -5.1157 -5.1157 -1.6474 -1.6474 -1.6474 -1.6474 5.0007 5.0007 5.0007 5.0007 6.0229 6.0229 6.0229 6.0229 6.0493 6.0493 6.0493 6.0493 9.1787 9.1787 9.1787 9.1787 9.4530 9.4530 9.4530 9.4530 k = 0.0488 0.0282 0.2615 ( 18002 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6014 -20.6014 -20.6014 -20.6014 -7.2468 -7.2468 -7.2468 -7.2468 -5.3790 -5.3790 -5.3790 -5.3790 -5.1190 -5.1190 -5.1190 -5.1190 -1.6454 -1.6454 -1.6454 -1.6454 4.9996 4.9996 4.9996 4.9996 6.0149 6.0149 6.0149 6.0149 6.0432 6.0432 6.0432 6.0432 9.1731 9.1731 9.1731 9.1731 9.4397 9.4397 9.4397 9.4397 k = 0.0610 0.0352 0.2615 ( 17990 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6010 -20.6010 -20.6010 -20.6010 -7.2480 -7.2480 -7.2480 -7.2480 -5.3794 -5.3794 -5.3794 -5.3794 -5.1233 -5.1233 -5.1233 -5.1233 -1.6429 -1.6429 -1.6429 -1.6429 4.9979 4.9979 4.9979 4.9979 6.0050 6.0050 6.0050 6.0050 6.0359 6.0359 6.0359 6.0359 9.1594 9.1594 9.1594 9.1594 9.4294 9.4294 9.4294 9.4294 k = 0.0732 0.0422 0.2615 ( 17986 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6006 -20.6006 -20.6006 -20.6006 -7.2494 -7.2494 -7.2494 -7.2494 -5.3799 -5.3799 -5.3799 -5.3799 -5.1284 -5.1284 -5.1284 -5.1284 -1.6399 -1.6399 -1.6399 -1.6399 4.9956 4.9956 4.9956 4.9956 5.9933 5.9933 5.9933 5.9933 6.0275 6.0275 6.0275 6.0275 9.1347 9.1347 9.1347 9.1347 9.4258 9.4258 9.4258 9.4258 k = 0.0854 0.0493 0.2615 ( 17988 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6001 -20.6001 -20.6001 -20.6001 -7.2510 -7.2510 -7.2510 -7.2510 -5.3805 -5.3805 -5.3805 -5.3805 -5.1342 -5.1342 -5.1342 -5.1342 -1.6365 -1.6365 -1.6365 -1.6365 4.9924 4.9924 4.9924 4.9924 5.9803 5.9803 5.9803 5.9803 6.0180 6.0180 6.0180 6.0180 9.0981 9.0981 9.0981 9.0981 9.4299 9.4299 9.4299 9.4299 k = 0.0976 0.0563 0.2615 ( 17976 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5995 -20.5995 -20.5995 -20.5995 -7.2529 -7.2529 -7.2529 -7.2529 -5.3812 -5.3812 -5.3812 -5.3812 -5.1408 -5.1408 -5.1408 -5.1408 -1.6326 -1.6326 -1.6326 -1.6326 4.9881 4.9881 4.9881 4.9881 5.9664 5.9664 5.9664 5.9664 6.0076 6.0076 6.0076 6.0076 9.0512 9.0512 9.0512 9.0512 9.4406 9.4406 9.4406 9.4406 k = 0.1098 0.0634 0.2615 ( 17966 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5988 -20.5988 -20.5988 -20.5988 -7.2550 -7.2550 -7.2550 -7.2550 -5.3821 -5.3821 -5.3821 -5.3821 -5.1479 -5.1479 -5.1479 -5.1479 -1.6284 -1.6284 -1.6284 -1.6284 4.9826 4.9826 4.9826 4.9826 5.9521 5.9521 5.9521 5.9521 5.9962 5.9962 5.9962 5.9962 8.9964 8.9964 8.9964 8.9964 9.4558 9.4558 9.4558 9.4558 k = 0.1220 0.0704 0.2615 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5981 -20.5981 -20.5981 -20.5981 -7.2574 -7.2574 -7.2574 -7.2574 -5.3833 -5.3833 -5.3833 -5.3833 -5.1555 -5.1555 -5.1555 -5.1555 -1.6240 -1.6240 -1.6240 -1.6240 4.9757 4.9757 4.9757 4.9757 5.9377 5.9377 5.9377 5.9377 5.9842 5.9842 5.9842 5.9842 8.9362 8.9362 8.9362 8.9362 9.4733 9.4733 9.4733 9.4733 k = 0.1341 0.0774 0.2615 ( 17990 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5973 -20.5973 -20.5973 -20.5973 -7.2599 -7.2599 -7.2599 -7.2599 -5.3846 -5.3846 -5.3846 -5.3846 -5.1635 -5.1635 -5.1635 -5.1635 -1.6193 -1.6193 -1.6193 -1.6193 4.9673 4.9673 4.9673 4.9673 5.9236 5.9236 5.9236 5.9236 5.9716 5.9716 5.9716 5.9716 8.8725 8.8725 8.8725 8.8725 9.4916 9.4916 9.4916 9.4916 k = 0.1463 0.0845 0.2615 ( 17980 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5965 -20.5965 -20.5965 -20.5965 -7.2627 -7.2627 -7.2627 -7.2627 -5.3862 -5.3862 -5.3862 -5.3862 -5.1717 -5.1717 -5.1717 -5.1717 -1.6144 -1.6144 -1.6144 -1.6144 4.9572 4.9572 4.9572 4.9572 5.9098 5.9098 5.9098 5.9098 5.9587 5.9587 5.9587 5.9587 8.8068 8.8068 8.8068 8.8068 9.5096 9.5096 9.5096 9.5096 k = 0.1585 0.0915 0.2615 ( 17964 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5956 -20.5956 -20.5956 -20.5956 -7.2657 -7.2657 -7.2657 -7.2657 -5.3881 -5.3881 -5.3881 -5.3881 -5.1801 -5.1801 -5.1801 -5.1801 -1.6094 -1.6094 -1.6094 -1.6094 4.9455 4.9455 4.9455 4.9455 5.8964 5.8964 5.8964 5.8964 5.9458 5.9458 5.9458 5.9458 8.7405 8.7405 8.7405 8.7405 9.5268 9.5268 9.5268 9.5268 k = 0.1707 0.0986 0.2615 ( 17966 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5947 -20.5947 -20.5947 -20.5947 -7.2689 -7.2689 -7.2689 -7.2689 -5.3903 -5.3903 -5.3903 -5.3903 -5.1885 -5.1885 -5.1885 -5.1885 -1.6044 -1.6044 -1.6044 -1.6044 4.9321 4.9321 4.9321 4.9321 5.8830 5.8830 5.8830 5.8830 5.9334 5.9334 5.9334 5.9334 8.6743 8.6743 8.6743 8.6743 9.5430 9.5430 9.5430 9.5430 k = 0.1829 0.1056 0.2615 ( 17966 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5937 -20.5937 -20.5937 -20.5937 -7.2722 -7.2722 -7.2722 -7.2722 -5.3929 -5.3929 -5.3929 -5.3929 -5.1968 -5.1968 -5.1968 -5.1968 -1.5993 -1.5993 -1.5993 -1.5993 4.9171 4.9171 4.9171 4.9171 5.8694 5.8694 5.8694 5.8694 5.9220 5.9220 5.9220 5.9220 8.6093 8.6093 8.6093 8.6093 9.5582 9.5582 9.5582 9.5582 k = 0.1951 0.1127 0.2615 ( 17958 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5927 -20.5927 -20.5927 -20.5927 -7.2757 -7.2757 -7.2757 -7.2757 -5.3960 -5.3960 -5.3960 -5.3960 -5.2048 -5.2048 -5.2048 -5.2048 -1.5943 -1.5943 -1.5943 -1.5943 4.9007 4.9007 4.9007 4.9007 5.8552 5.8552 5.8552 5.8552 5.9120 5.9120 5.9120 5.9120 8.5460 8.5460 8.5460 8.5460 9.5727 9.5727 9.5727 9.5727 k = 0.2073 0.1197 0.2615 ( 17956 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5917 -20.5917 -20.5917 -20.5917 -7.2794 -7.2794 -7.2794 -7.2794 -5.3995 -5.3995 -5.3995 -5.3995 -5.2125 -5.2125 -5.2125 -5.2125 -1.5893 -1.5893 -1.5893 -1.5893 4.8830 4.8830 4.8830 4.8830 5.8402 5.8402 5.8402 5.8402 5.9036 5.9036 5.9036 5.9036 8.4850 8.4850 8.4850 8.4850 9.5870 9.5870 9.5870 9.5870 k = 0.2195 0.1267 0.2615 ( 17962 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5906 -20.5906 -20.5906 -20.5906 -7.2831 -7.2831 -7.2831 -7.2831 -5.4035 -5.4035 -5.4035 -5.4035 -5.2197 -5.2197 -5.2197 -5.2197 -1.5845 -1.5845 -1.5845 -1.5845 4.8643 4.8643 4.8643 4.8643 5.8243 5.8243 5.8243 5.8243 5.8967 5.8967 5.8967 5.8967 8.4267 8.4267 8.4267 8.4267 9.6013 9.6013 9.6013 9.6013 k = 0.2317 0.1338 0.2615 ( 17962 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5895 -20.5895 -20.5895 -20.5895 -7.2870 -7.2870 -7.2870 -7.2870 -5.4081 -5.4081 -5.4081 -5.4081 -5.2263 -5.2263 -5.2263 -5.2263 -1.5799 -1.5799 -1.5799 -1.5799 4.8448 4.8448 4.8448 4.8448 5.8076 5.8076 5.8076 5.8076 5.8911 5.8911 5.8911 5.8911 8.3716 8.3716 8.3716 8.3716 9.6160 9.6160 9.6160 9.6160 k = 0.2439 0.1408 0.2615 ( 17978 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5884 -20.5884 -20.5884 -20.5884 -7.2910 -7.2910 -7.2910 -7.2910 -5.4132 -5.4132 -5.4132 -5.4132 -5.2324 -5.2324 -5.2324 -5.2324 -1.5755 -1.5755 -1.5755 -1.5755 4.8247 4.8247 4.8247 4.8247 5.7905 5.7905 5.7905 5.7905 5.8863 5.8863 5.8863 5.8863 8.3198 8.3198 8.3198 8.3198 9.6315 9.6315 9.6315 9.6315 k = 0.2561 0.1479 0.2615 ( 17990 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5874 -20.5874 -20.5874 -20.5874 -7.2950 -7.2950 -7.2950 -7.2950 -5.4187 -5.4187 -5.4187 -5.4187 -5.2377 -5.2377 -5.2377 -5.2377 -1.5713 -1.5713 -1.5713 -1.5713 4.8044 4.8044 4.8044 4.8044 5.7731 5.7731 5.7731 5.7731 5.8820 5.8820 5.8820 5.8820 8.2717 8.2717 8.2717 8.2717 9.6478 9.6478 9.6478 9.6478 k = 0.2683 0.1549 0.2615 ( 17982 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5863 -20.5863 -20.5863 -20.5863 -7.2990 -7.2990 -7.2990 -7.2990 -5.4247 -5.4247 -5.4247 -5.4247 -5.2423 -5.2423 -5.2423 -5.2423 -1.5674 -1.5674 -1.5674 -1.5674 4.7839 4.7839 4.7839 4.7839 5.7556 5.7556 5.7556 5.7556 5.8780 5.8780 5.8780 5.8780 8.2273 8.2273 8.2273 8.2273 9.6651 9.6651 9.6651 9.6651 k = 0.2805 0.1619 0.2615 ( 17972 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5852 -20.5852 -20.5852 -20.5852 -7.3031 -7.3031 -7.3031 -7.3031 -5.4311 -5.4311 -5.4311 -5.4311 -5.2463 -5.2463 -5.2463 -5.2463 -1.5637 -1.5637 -1.5637 -1.5637 4.7637 4.7637 4.7637 4.7637 5.7382 5.7382 5.7382 5.7382 5.8738 5.8738 5.8738 5.8738 8.1868 8.1868 8.1868 8.1868 9.6834 9.6834 9.6834 9.6834 k = 0.2927 0.1690 0.2615 ( 17986 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5841 -20.5841 -20.5841 -20.5841 -7.3072 -7.3072 -7.3072 -7.3072 -5.4378 -5.4378 -5.4378 -5.4378 -5.2496 -5.2496 -5.2496 -5.2496 -1.5603 -1.5603 -1.5603 -1.5603 4.7438 4.7438 4.7438 4.7438 5.7210 5.7210 5.7210 5.7210 5.8694 5.8694 5.8694 5.8694 8.1501 8.1501 8.1501 8.1501 9.7028 9.7028 9.7028 9.7028 k = 0.3049 0.1760 0.2615 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5831 -20.5831 -20.5831 -20.5831 -7.3112 -7.3112 -7.3112 -7.3112 -5.4447 -5.4447 -5.4447 -5.4447 -5.2524 -5.2524 -5.2524 -5.2524 -1.5572 -1.5572 -1.5572 -1.5572 4.7244 4.7244 4.7244 4.7244 5.7043 5.7043 5.7043 5.7043 5.8645 5.8645 5.8645 5.8645 8.1173 8.1173 8.1173 8.1173 9.7231 9.7231 9.7231 9.7231 k = 0.3171 0.1831 0.2615 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5821 -20.5821 -20.5821 -20.5821 -7.3152 -7.3152 -7.3152 -7.3152 -5.4517 -5.4517 -5.4517 -5.4517 -5.2545 -5.2545 -5.2545 -5.2545 -1.5544 -1.5544 -1.5544 -1.5544 4.7058 4.7058 4.7058 4.7058 5.6880 5.6880 5.6880 5.6880 5.8591 5.8591 5.8591 5.8591 8.0881 8.0881 8.0881 8.0881 9.7441 9.7441 9.7441 9.7441 k = 0.3293 0.1901 0.2615 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5811 -20.5811 -20.5811 -20.5811 -7.3190 -7.3190 -7.3190 -7.3190 -5.4587 -5.4587 -5.4587 -5.4587 -5.2562 -5.2562 -5.2562 -5.2562 -1.5518 -1.5518 -1.5518 -1.5518 4.6880 4.6880 4.6880 4.6880 5.6723 5.6723 5.6723 5.6723 5.8532 5.8532 5.8532 5.8532 8.0625 8.0625 8.0625 8.0625 9.7656 9.7656 9.7656 9.7656 k = 0.3415 0.1971 0.2615 ( 17994 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5802 -20.5802 -20.5802 -20.5802 -7.3227 -7.3227 -7.3227 -7.3227 -5.4656 -5.4656 -5.4656 -5.4656 -5.2575 -5.2575 -5.2575 -5.2575 -1.5496 -1.5496 -1.5496 -1.5496 4.6712 4.6712 4.6712 4.6712 5.6573 5.6573 5.6573 5.6573 5.8467 5.8467 5.8467 5.8467 8.0402 8.0402 8.0402 8.0402 9.7874 9.7874 9.7874 9.7874 k = 0.3537 0.2042 0.2615 ( 17990 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5793 -20.5793 -20.5793 -20.5793 -7.3263 -7.3263 -7.3263 -7.3263 -5.4723 -5.4723 -5.4723 -5.4723 -5.2585 -5.2585 -5.2585 -5.2585 -1.5476 -1.5476 -1.5476 -1.5476 4.6554 4.6554 4.6554 4.6554 5.6431 5.6431 5.6431 5.6431 5.8397 5.8397 5.8397 5.8397 8.0211 8.0211 8.0211 8.0211 9.8092 9.8092 9.8092 9.8092 k = 0.3659 0.2112 0.2615 ( 17990 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5784 -20.5784 -20.5784 -20.5784 -7.3298 -7.3298 -7.3298 -7.3298 -5.4788 -5.4788 -5.4788 -5.4788 -5.2591 -5.2591 -5.2591 -5.2591 -1.5458 -1.5458 -1.5458 -1.5458 4.6408 4.6408 4.6408 4.6408 5.6298 5.6298 5.6298 5.6298 5.8324 5.8324 5.8324 5.8324 8.0048 8.0048 8.0048 8.0048 9.8306 9.8306 9.8306 9.8306 k = 0.3780 0.2183 0.2615 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5776 -20.5776 -20.5776 -20.5776 -7.3330 -7.3330 -7.3330 -7.3330 -5.4849 -5.4849 -5.4849 -5.4849 -5.2595 -5.2595 -5.2595 -5.2595 -1.5443 -1.5443 -1.5443 -1.5443 4.6273 4.6273 4.6273 4.6273 5.6174 5.6174 5.6174 5.6174 5.8249 5.8249 5.8249 5.8249 7.9911 7.9911 7.9911 7.9911 9.8514 9.8514 9.8514 9.8514 k = 0.3902 0.2253 0.2615 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5769 -20.5769 -20.5769 -20.5769 -7.3360 -7.3360 -7.3360 -7.3360 -5.4907 -5.4907 -5.4907 -5.4907 -5.2598 -5.2598 -5.2598 -5.2598 -1.5430 -1.5430 -1.5430 -1.5430 4.6151 4.6151 4.6151 4.6151 5.6060 5.6060 5.6060 5.6060 5.8174 5.8174 5.8174 5.8174 7.9798 7.9798 7.9798 7.9798 9.8712 9.8712 9.8712 9.8712 k = 0.4024 0.2323 0.2615 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5762 -20.5762 -20.5762 -20.5762 -7.3387 -7.3387 -7.3387 -7.3387 -5.4959 -5.4959 -5.4959 -5.4959 -5.2598 -5.2598 -5.2598 -5.2598 -1.5419 -1.5419 -1.5419 -1.5419 4.6041 4.6041 4.6041 4.6041 5.5956 5.5956 5.5956 5.5956 5.8100 5.8100 5.8100 5.8100 7.9705 7.9705 7.9705 7.9705 9.8898 9.8898 9.8898 9.8898 k = 0.4146 0.2394 0.2615 ( 17996 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5756 -20.5756 -20.5756 -20.5756 -7.3412 -7.3412 -7.3412 -7.3412 -5.5007 -5.5007 -5.5007 -5.5007 -5.2598 -5.2598 -5.2598 -5.2598 -1.5410 -1.5410 -1.5410 -1.5410 4.5944 4.5944 4.5944 4.5944 5.5864 5.5864 5.5864 5.5864 5.8030 5.8030 5.8030 5.8030 7.9630 7.9630 7.9630 7.9630 9.9068 9.9068 9.9068 9.9068 k = 0.4268 0.2464 0.2615 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5751 -20.5751 -20.5751 -20.5751 -7.3434 -7.3434 -7.3434 -7.3434 -5.5049 -5.5049 -5.5049 -5.5049 -5.2597 -5.2597 -5.2597 -5.2597 -1.5403 -1.5403 -1.5403 -1.5403 4.5860 4.5860 4.5860 4.5860 5.5783 5.5783 5.5783 5.5783 5.7965 5.7965 5.7965 5.7965 7.9570 7.9570 7.9570 7.9570 9.9220 9.9220 9.9220 9.9220 k = 0.4390 0.2535 0.2615 ( 17990 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5747 -20.5747 -20.5747 -20.5747 -7.3452 -7.3452 -7.3452 -7.3452 -5.5085 -5.5085 -5.5085 -5.5085 -5.2596 -5.2596 -5.2596 -5.2596 -1.5396 -1.5396 -1.5396 -1.5396 4.5789 4.5789 4.5789 4.5789 5.5714 5.5714 5.5714 5.5714 5.7906 5.7906 5.7906 5.7906 7.9523 7.9523 7.9523 7.9523 9.9352 9.9352 9.9352 9.9352 k = 0.4512 0.2605 0.2615 ( 17988 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5743 -20.5743 -20.5743 -20.5743 -7.3468 -7.3468 -7.3468 -7.3468 -5.5115 -5.5115 -5.5115 -5.5115 -5.2595 -5.2595 -5.2595 -5.2595 -1.5392 -1.5392 -1.5392 -1.5392 4.5731 4.5731 4.5731 4.5731 5.5657 5.5657 5.5657 5.5657 5.7856 5.7856 5.7856 5.7856 7.9488 7.9488 7.9488 7.9488 9.9462 9.9462 9.9462 9.9462 k = 0.4634 0.2676 0.2615 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5740 -20.5740 -20.5740 -20.5740 -7.3480 -7.3480 -7.3480 -7.3480 -5.5139 -5.5139 -5.5139 -5.5139 -5.2594 -5.2594 -5.2594 -5.2594 -1.5388 -1.5388 -1.5388 -1.5388 4.5686 4.5686 4.5686 4.5686 5.5613 5.5613 5.5613 5.5613 5.7816 5.7816 5.7816 5.7816 7.9462 7.9462 7.9462 7.9462 9.9549 9.9549 9.9549 9.9549 k = 0.4756 0.2746 0.2615 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5738 -20.5738 -20.5738 -20.5738 -7.3489 -7.3489 -7.3489 -7.3489 -5.5156 -5.5156 -5.5156 -5.5156 -5.2593 -5.2593 -5.2593 -5.2593 -1.5386 -1.5386 -1.5386 -1.5386 4.5654 4.5654 4.5654 4.5654 5.5581 5.5581 5.5581 5.5581 5.7787 5.7787 5.7787 5.7787 7.9444 7.9444 7.9444 7.9444 9.9612 9.9612 9.9612 9.9612 k = 0.4878 0.2816 0.2615 ( 17996 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5737 -20.5737 -20.5737 -20.5737 -7.3494 -7.3494 -7.3494 -7.3494 -5.5166 -5.5166 -5.5166 -5.5166 -5.2592 -5.2592 -5.2592 -5.2592 -1.5384 -1.5384 -1.5384 -1.5384 4.5635 4.5635 4.5635 4.5635 5.5561 5.5561 5.5561 5.5561 5.7769 5.7769 5.7769 5.7769 7.9434 7.9434 7.9434 7.9434 9.9650 9.9650 9.9650 9.9650 k = 0.5000 0.2887 0.2615 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5736 -20.5736 -20.5736 -20.5736 -7.3496 -7.3496 -7.3496 -7.3496 -5.5169 -5.5169 -5.5169 -5.5169 -5.2592 -5.2592 -5.2592 -5.2592 -1.5384 -1.5384 -1.5384 -1.5384 4.5628 4.5628 4.5628 4.5628 5.5555 5.5555 5.5555 5.5555 5.7762 5.7762 5.7762 5.7762 7.9431 7.9431 7.9431 7.9431 9.9663 9.9663 9.9663 9.9663 k = 0.5000 0.2887 0.2615 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5736 -20.5736 -20.5736 -20.5736 -7.3496 -7.3496 -7.3496 -7.3496 -5.5169 -5.5169 -5.5169 -5.5169 -5.2592 -5.2592 -5.2592 -5.2592 -1.5384 -1.5384 -1.5384 -1.5384 4.5628 4.5628 4.5628 4.5628 5.5555 5.5555 5.5555 5.5555 5.7762 5.7762 5.7762 5.7762 7.9431 7.9431 7.9431 7.9431 9.9663 9.9663 9.9663 9.9663 k = 0.4931 0.3007 0.2615 ( 18006 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5736 -20.5736 -20.5736 -20.5736 -7.3504 -7.3504 -7.3489 -7.3489 -5.5186 -5.5186 -5.5150 -5.5150 -5.2597 -5.2597 -5.2593 -5.2593 -1.5410 -1.5410 -1.5355 -1.5355 4.5621 4.5621 4.5654 4.5654 5.5485 5.5485 5.5547 5.5547 5.7710 5.7710 5.7850 5.7850 7.9439 7.9439 7.9465 7.9465 9.9651 9.9651 9.9722 9.9722 k = 0.4861 0.3127 0.2615 ( 18006 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5736 -20.5736 -20.5736 -20.5736 -7.3513 -7.3513 -7.3481 -7.3481 -5.5201 -5.5201 -5.5128 -5.5128 -5.2610 -5.2610 -5.2601 -5.2601 -1.5435 -1.5435 -1.5324 -1.5324 4.5633 4.5633 4.5699 4.5699 5.5346 5.5346 5.5457 5.5457 5.7695 5.7695 5.7962 5.7962 7.9488 7.9488 7.9541 7.9541 9.9687 9.9687 9.9829 9.9829 k = 0.4792 0.3248 0.2615 ( 17998 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5735 -20.5735 -20.5735 -20.5735 -7.3521 -7.3521 -7.3475 -7.3475 -5.5213 -5.5213 -5.5104 -5.5104 -5.2629 -5.2629 -5.2617 -5.2617 -1.5456 -1.5456 -1.5290 -1.5290 4.5663 4.5663 4.5762 4.5762 5.5154 5.5154 5.5293 5.5293 5.7713 5.7713 5.8086 5.8086 7.9577 7.9577 7.9657 7.9657 9.9770 9.9770 9.9980 9.9980 k = 0.4722 0.3368 0.2615 ( 18016 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5734 -20.5734 -20.5734 -20.5734 -7.3530 -7.3530 -7.3468 -7.3468 -5.5223 -5.5223 -5.5077 -5.5077 -5.2655 -5.2655 -5.2640 -5.2640 -1.5475 -1.5475 -1.5255 -1.5255 4.5712 4.5712 4.5843 4.5843 5.4921 5.4921 5.5070 5.5070 5.7751 5.7751 5.8209 5.8209 7.9704 7.9704 7.9811 7.9811 9.9898 9.9898 10.0173 10.0173 k = 0.4653 0.3488 0.2615 ( 18004 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5733 -20.5733 -20.5733 -20.5733 -7.3540 -7.3540 -7.3463 -7.3463 -5.5231 -5.5231 -5.5047 -5.5047 -5.2685 -5.2685 -5.2669 -5.2669 -1.5491 -1.5491 -1.5219 -1.5219 4.5778 4.5778 4.5940 4.5940 5.4657 5.4657 5.4802 5.4802 5.7797 5.7797 5.8326 5.8326 7.9865 7.9865 8.0002 8.0002 10.0068 10.0068 10.0403 10.0403 k = 0.4583 0.3608 0.2615 ( 18008 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5732 -20.5732 -20.5732 -20.5732 -7.3549 -7.3549 -7.3457 -7.3457 -5.5238 -5.5238 -5.5015 -5.5015 -5.2721 -5.2721 -5.2705 -5.2705 -1.5505 -1.5505 -1.5181 -1.5181 4.5862 4.5862 4.6053 4.6053 5.4370 5.4370 5.4502 5.4502 5.7842 5.7842 5.8431 5.8431 8.0058 8.0058 8.0225 8.0225 10.0276 10.0276 10.0667 10.0667 k = 0.4514 0.3729 0.2615 ( 18008 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5730 -20.5730 -20.5730 -20.5730 -7.3558 -7.3558 -7.3453 -7.3453 -5.5242 -5.5242 -5.4981 -5.4981 -5.2761 -5.2761 -5.2748 -5.2748 -1.5516 -1.5516 -1.5143 -1.5143 4.5961 4.5961 4.6181 4.6181 5.4066 5.4066 5.4180 5.4180 5.7881 5.7881 5.8521 5.8521 8.0278 8.0278 8.0477 8.0477 10.0516 10.0516 10.0958 10.0958 k = 0.4444 0.3849 0.2615 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5728 -20.5728 -20.5728 -20.5728 -7.3568 -7.3568 -7.3449 -7.3449 -5.5245 -5.5245 -5.4944 -5.4944 -5.2805 -5.2805 -5.2796 -5.2796 -1.5526 -1.5526 -1.5105 -1.5105 4.6075 4.6075 4.6321 4.6321 5.3751 5.3751 5.3844 5.3844 5.7909 5.7909 5.8595 5.8595 8.0520 8.0520 8.0754 8.0754 10.0784 10.0784 10.1268 10.1268 k = 0.4375 0.3969 0.2615 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5726 -20.5726 -20.5726 -20.5726 -7.3578 -7.3578 -7.3445 -7.3445 -5.5247 -5.5247 -5.4906 -5.4906 -5.2851 -5.2851 -5.2849 -5.2849 -1.5533 -1.5533 -1.5066 -1.5066 4.6202 4.6202 4.6474 4.6474 5.3429 5.3429 5.3499 5.3499 5.7925 5.7925 5.8652 5.8652 8.0781 8.0781 8.1050 8.1050 10.1073 10.1073 10.1591 10.1591 k = 0.4306 0.4090 0.2615 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5724 -20.5724 -20.5724 -20.5724 -7.3588 -7.3588 -7.3442 -7.3442 -5.5249 -5.5249 -5.4866 -5.4866 -5.2906 -5.2906 -5.2898 -5.2898 -1.5538 -1.5538 -1.5028 -1.5028 4.6341 4.6341 4.6635 4.6635 5.3105 5.3105 5.3152 5.3152 5.7928 5.7928 5.8694 5.8694 8.1055 8.1055 8.1362 8.1362 10.1375 10.1375 10.1918 10.1918 k = 0.4236 0.4210 0.2615 ( 17996 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5722 -20.5722 -20.5722 -20.5722 -7.3597 -7.3597 -7.3440 -7.3440 -5.5249 -5.5249 -5.4824 -5.4824 -5.2967 -5.2967 -5.2947 -5.2947 -1.5541 -1.5541 -1.4991 -1.4991 4.6489 4.6489 4.6805 4.6805 5.2783 5.2783 5.2807 5.2807 5.7918 5.7918 5.8719 5.8719 8.1337 8.1337 8.1683 8.1683 10.1685 10.1685 10.2242 10.2242 k = 0.4167 0.4330 0.2615 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5720 -20.5720 -20.5720 -20.5720 -7.3607 -7.3607 -7.3438 -7.3438 -5.5250 -5.5250 -5.4781 -5.4781 -5.3031 -5.3031 -5.2995 -5.2995 -1.5544 -1.5544 -1.4955 -1.4955 4.6645 4.6645 4.6980 4.6980 5.2465 5.2465 5.2467 5.2467 5.7897 5.7897 5.8731 5.8731 8.1622 8.1622 8.2009 8.2009 10.1996 10.1996 10.2557 10.2557 k = 0.4097 0.4450 0.2615 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5717 -20.5717 -20.5717 -20.5717 -7.3617 -7.3617 -7.3437 -7.3437 -5.5250 -5.5250 -5.4737 -5.4737 -5.3097 -5.3097 -5.3043 -5.3043 -1.5545 -1.5545 -1.4921 -1.4921 4.6807 4.6807 4.7159 4.7159 5.2138 5.2138 5.2157 5.2157 5.7865 5.7865 5.8729 5.8729 8.1905 8.1905 8.2333 8.2333 10.2306 10.2306 10.2861 10.2861 k = 0.4028 0.4571 0.2615 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5715 -20.5715 -20.5715 -20.5715 -7.3626 -7.3626 -7.3437 -7.3437 -5.5250 -5.5250 -5.4692 -5.4692 -5.3163 -5.3163 -5.3089 -5.3089 -1.5545 -1.5545 -1.4889 -1.4889 4.6971 4.6971 4.7338 4.7338 5.1821 5.1821 5.1860 5.1860 5.7824 5.7824 5.8716 5.8716 8.2181 8.2181 8.2650 8.2650 10.2612 10.2612 10.3153 10.3153 k = 0.3958 0.4691 0.2615 ( 17982 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5713 -20.5713 -20.5713 -20.5713 -7.3635 -7.3635 -7.3437 -7.3437 -5.5251 -5.5251 -5.4648 -5.4648 -5.3230 -5.3230 -5.3132 -5.3132 -1.5544 -1.5544 -1.4859 -1.4859 4.7136 4.7136 4.7515 4.7515 5.1522 5.1522 5.1579 5.1579 5.7776 5.7776 5.8694 5.8694 8.2444 8.2444 8.2955 8.2955 10.2917 10.2917 10.3438 10.3438 k = 0.3889 0.4811 0.2615 ( 17986 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5711 -20.5711 -20.5711 -20.5711 -7.3643 -7.3643 -7.3437 -7.3437 -5.5252 -5.5252 -5.4604 -5.4604 -5.3296 -5.3296 -5.3172 -5.3172 -1.5543 -1.5543 -1.4831 -1.4831 4.7298 4.7298 4.7687 4.7687 5.1242 5.1242 5.1316 5.1316 5.7722 5.7722 5.8664 5.8664 8.2691 8.2691 8.3240 8.3240 10.3225 10.3225 10.3724 10.3724 k = 0.3819 0.4932 0.2615 ( 17962 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5709 -20.5709 -20.5709 -20.5709 -7.3651 -7.3651 -7.3438 -7.3438 -5.5254 -5.5254 -5.4561 -5.4561 -5.3359 -5.3359 -5.3208 -5.3208 -1.5541 -1.5541 -1.4807 -1.4807 4.7452 4.7452 4.7851 4.7851 5.0986 5.0986 5.1074 5.1074 5.7665 5.7665 5.8629 5.8629 8.2916 8.2916 8.3501 8.3501 10.3543 10.3543 10.4020 10.4020 k = 0.3750 0.5052 0.2615 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5707 -20.5707 -20.5707 -20.5707 -7.3658 -7.3658 -7.3439 -7.3439 -5.5257 -5.5257 -5.4520 -5.4520 -5.3419 -5.3419 -5.3240 -5.3240 -1.5540 -1.5540 -1.4785 -1.4785 4.7597 4.7597 4.8002 4.8002 5.0757 5.0757 5.0857 5.0857 5.7608 5.7608 5.8591 5.8591 8.3115 8.3115 8.3734 8.3734 10.3877 10.3877 10.4336 10.4336 k = 0.3681 0.5172 0.2615 ( 17946 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5705 -20.5705 -20.5705 -20.5705 -7.3665 -7.3665 -7.3440 -7.3440 -5.5260 -5.5260 -5.4483 -5.4483 -5.3473 -5.3473 -5.3266 -5.3266 -1.5538 -1.5538 -1.4767 -1.4767 4.7726 4.7726 4.8137 4.8137 5.0559 5.0559 5.0669 5.0669 5.7553 5.7553 5.8553 5.8553 8.3286 8.3286 8.3934 8.3934 10.4233 10.4233 10.4682 10.4682 k = 0.3611 0.5292 0.2615 ( 17938 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5704 -20.5704 -20.5704 -20.5704 -7.3671 -7.3671 -7.3442 -7.3442 -5.5263 -5.5263 -5.4450 -5.4450 -5.3520 -5.3520 -5.3288 -5.3288 -1.5536 -1.5536 -1.4752 -1.4752 4.7836 4.7836 4.8251 4.8251 5.0395 5.0395 5.0512 5.0512 5.7502 5.7502 5.8516 5.8516 8.3426 8.3426 8.4098 8.4098 10.4611 10.4611 10.5062 10.5062 k = 0.3542 0.5413 0.2615 ( 17938 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5702 -20.5702 -20.5702 -20.5702 -7.3675 -7.3675 -7.3443 -7.3443 -5.5266 -5.5266 -5.4423 -5.4423 -5.3559 -5.3559 -5.3305 -5.3305 -1.5535 -1.5535 -1.4740 -1.4740 4.7923 4.7923 4.8340 4.8340 5.0268 5.0268 5.0391 5.0391 5.7459 5.7459 5.8484 5.8484 8.3533 8.3533 8.4224 8.4224 10.5004 10.5004 10.5472 10.5472 k = 0.3472 0.5533 0.2615 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3679 -7.3679 -7.3444 -7.3444 -5.5269 -5.5269 -5.4404 -5.4404 -5.3588 -5.3588 -5.3316 -5.3316 -1.5534 -1.5534 -1.4731 -1.4731 4.7983 4.7983 4.8402 4.8402 5.0180 5.0180 5.0307 5.0307 5.7425 5.7425 5.8459 5.8459 8.3609 8.3609 8.4313 8.4313 10.5386 10.5386 10.5893 10.5893 k = 0.3403 0.5653 0.2615 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3681 -7.3681 -7.3445 -7.3445 -5.5271 -5.5271 -5.4392 -5.4392 -5.3606 -5.3606 -5.3323 -5.3323 -1.5534 -1.5534 -1.4726 -1.4726 4.8017 4.8017 4.8437 4.8437 5.0130 5.0130 5.0260 5.0260 5.7403 5.7403 5.8442 5.8442 8.3652 8.3652 8.4365 8.4365 10.5698 10.5698 10.6260 10.6260 k = 0.3333 0.5774 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3682 -7.3682 -7.3445 -7.3445 -5.5271 -5.5271 -5.4388 -5.4388 -5.3611 -5.3611 -5.3325 -5.3325 -1.5533 -1.5533 -1.4725 -1.4725 4.8028 4.8028 4.8447 4.8447 5.0114 5.0114 5.0245 5.0245 5.7395 5.7395 5.8436 5.8436 8.3667 8.3667 8.4381 8.4381 10.5830 10.5830 10.6428 10.6428 k = 0.3333 0.5774 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3682 -7.3682 -7.3445 -7.3445 -5.5271 -5.5271 -5.4388 -5.4388 -5.3611 -5.3611 -5.3325 -5.3325 -1.5533 -1.5533 -1.4725 -1.4725 4.8028 4.8028 4.8447 4.8447 5.0114 5.0114 5.0245 5.0245 5.7395 5.7395 5.8436 5.8436 8.3667 8.3667 8.4381 8.4381 10.5830 10.5830 10.6428 10.6428 k = 0.3262 0.5651 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3681 -7.3681 -7.3445 -7.3445 -5.5270 -5.5270 -5.4391 -5.4391 -5.3606 -5.3606 -5.3323 -5.3323 -1.5534 -1.5534 -1.4726 -1.4726 4.8019 4.8019 4.8438 4.8438 5.0128 5.0128 5.0258 5.0258 5.7404 5.7404 5.8443 5.8443 8.3653 8.3653 8.4365 8.4365 10.5676 10.5676 10.6231 10.6231 k = 0.3191 0.5528 0.2615 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5702 -20.5702 -20.5702 -20.5702 -7.3678 -7.3678 -7.3444 -7.3444 -5.5267 -5.5267 -5.4401 -5.4401 -5.3590 -5.3590 -5.3317 -5.3317 -1.5534 -1.5534 -1.4732 -1.4732 4.7996 4.7996 4.8417 4.8417 5.0166 5.0166 5.0293 5.0293 5.7430 5.7430 5.8464 5.8464 8.3614 8.3614 8.4319 8.4319 10.5263 10.5263 10.5740 10.5740 k = 0.3121 0.5405 0.2615 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5703 -20.5703 -20.5703 -20.5703 -7.3674 -7.3674 -7.3442 -7.3442 -5.5261 -5.5261 -5.4415 -5.4415 -5.3565 -5.3565 -5.3307 -5.3307 -1.5535 -1.5535 -1.4740 -1.4740 4.7966 4.7966 4.8388 4.8388 5.0222 5.0222 5.0343 5.0343 5.7477 5.7477 5.8500 5.8500 8.3554 8.3554 8.4248 8.4248 10.4697 10.4697 10.5108 10.5108 k = 0.3050 0.5282 0.2615 ( 17948 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5704 -20.5704 -20.5704 -20.5704 -7.3667 -7.3667 -7.3438 -7.3438 -5.5252 -5.5252 -5.4431 -5.4431 -5.3534 -5.3534 -5.3294 -5.3294 -1.5537 -1.5537 -1.4751 -1.4751 4.7933 4.7933 4.8356 4.8356 5.0291 5.0291 5.0406 5.0406 5.7543 5.7543 5.8552 5.8552 8.3476 8.3476 8.4155 8.4155 10.4052 10.4052 10.4413 10.4413 k = 0.2979 0.5159 0.2615 ( 17960 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5707 -20.5707 -20.5707 -20.5707 -7.3658 -7.3658 -7.3433 -7.3433 -5.5239 -5.5239 -5.4448 -5.4448 -5.3498 -5.3498 -5.3278 -5.3278 -1.5539 -1.5539 -1.4765 -1.4765 4.7899 4.7899 4.8325 4.8325 5.0371 5.0371 5.0479 5.0479 5.7628 5.7628 5.8620 5.8620 8.3384 8.3384 8.4046 8.4046 10.3367 10.3367 10.3690 10.3690 k = 0.2908 0.5036 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5709 -20.5709 -20.5709 -20.5709 -7.3647 -7.3647 -7.3427 -7.3427 -5.5222 -5.5222 -5.4463 -5.4463 -5.3458 -5.3458 -5.3259 -5.3259 -1.5541 -1.5541 -1.4783 -1.4783 4.7867 4.7867 4.8295 4.8295 5.0463 5.0463 5.0562 5.0562 5.7732 5.7732 5.8702 5.8702 8.3283 8.3283 8.3926 8.3926 10.2661 10.2661 10.2954 10.2954 k = 0.2837 0.4914 0.2615 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5713 -20.5713 -20.5713 -20.5713 -7.3634 -7.3634 -7.3419 -7.3419 -5.5201 -5.5201 -5.4476 -5.4476 -5.3416 -5.3416 -5.3239 -5.3239 -1.5544 -1.5544 -1.4802 -1.4802 4.7838 4.7838 4.8268 4.8268 5.0565 5.0565 5.0655 5.0655 5.7853 5.7853 5.8798 5.8798 8.3177 8.3177 8.3797 8.3797 10.1947 10.1947 10.2216 10.2216 k = 0.2766 0.4791 0.2615 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5717 -20.5717 -20.5717 -20.5717 -7.3618 -7.3618 -7.3409 -7.3409 -5.5176 -5.5176 -5.4486 -5.4486 -5.3373 -5.3373 -5.3216 -5.3216 -1.5547 -1.5547 -1.4825 -1.4825 4.7813 4.7813 4.8244 4.8244 5.0680 5.0680 5.0761 5.0761 5.7990 5.7990 5.8907 5.8907 8.3068 8.3068 8.3665 8.3665 10.1234 10.1234 10.1482 10.1482 k = 0.2695 0.4668 0.2615 ( 17952 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5721 -20.5721 -20.5721 -20.5721 -7.3599 -7.3599 -7.3397 -7.3397 -5.5146 -5.5146 -5.4493 -5.4493 -5.3328 -5.3328 -5.3192 -5.3192 -1.5551 -1.5551 -1.4849 -1.4849 4.7791 4.7791 4.8221 4.8221 5.0809 5.0809 5.0882 5.0882 5.8139 5.8139 5.9025 5.9025 8.2962 8.2962 8.3533 8.3533 10.0525 10.0525 10.0757 10.0757 k = 0.2624 0.4545 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5726 -20.5726 -20.5726 -20.5726 -7.3578 -7.3578 -7.3384 -7.3384 -5.5112 -5.5112 -5.4495 -5.4495 -5.3283 -5.3283 -5.3167 -5.3167 -1.5555 -1.5555 -1.4876 -1.4876 4.7772 4.7772 4.8201 4.8201 5.0953 5.0953 5.1019 5.1019 5.8300 5.8300 5.9152 5.9152 8.2861 8.2861 8.3406 8.3406 9.9826 9.9827 10.0043 10.0043 k = 0.2553 0.4422 0.2615 ( 17956 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5732 -20.5732 -20.5732 -20.5732 -7.3555 -7.3555 -7.3368 -7.3368 -5.5073 -5.5073 -5.4493 -5.4493 -5.3238 -5.3238 -5.3140 -5.3140 -1.5560 -1.5560 -1.4905 -1.4905 4.7758 4.7758 4.8183 4.8183 5.1115 5.1115 5.1173 5.1173 5.8468 5.8468 5.9285 5.9285 8.2769 8.2769 8.3287 8.3287 9.9141 9.9141 9.9344 9.9344 k = 0.2482 0.4299 0.2615 ( 17968 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5738 -20.5738 -20.5738 -20.5738 -7.3529 -7.3529 -7.3350 -7.3350 -5.5030 -5.5030 -5.4487 -5.4487 -5.3192 -5.3192 -5.3113 -5.3113 -1.5566 -1.5566 -1.4937 -1.4937 4.7747 4.7747 4.8167 4.8167 5.1296 5.1296 5.1346 5.1346 5.8641 5.8641 5.9420 5.9420 8.2690 8.2690 8.3179 8.3179 9.8471 9.8471 9.8663 9.8663 k = 0.2411 0.4177 0.2615 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5745 -20.5745 -20.5745 -20.5745 -7.3501 -7.3501 -7.3330 -7.3330 -5.4982 -5.4982 -5.4477 -5.4477 -5.3146 -5.3146 -5.3084 -5.3084 -1.5572 -1.5572 -1.4970 -1.4970 4.7742 4.7742 4.8155 4.8155 5.1495 5.1495 5.1539 5.1539 5.8816 5.8816 5.9557 5.9557 8.2626 8.2626 8.3087 8.3087 9.7818 9.7818 9.8001 9.8001 k = 0.2340 0.4054 0.2615 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5752 -20.5752 -20.5752 -20.5752 -7.3470 -7.3470 -7.3308 -7.3308 -5.4930 -5.4930 -5.4462 -5.4462 -5.3100 -5.3100 -5.3054 -5.3054 -1.5580 -1.5580 -1.5005 -1.5005 4.7742 4.7742 4.8147 4.8147 5.1715 5.1715 5.1752 5.1752 5.8991 5.8991 5.9691 5.9691 8.2582 8.2582 8.3013 8.3013 9.7186 9.7186 9.7359 9.7359 k = 0.2270 0.3931 0.2615 ( 17966 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5760 -20.5760 -20.5760 -20.5760 -7.3437 -7.3437 -7.3284 -7.3284 -5.4875 -5.4875 -5.4443 -5.4443 -5.3054 -5.3054 -5.3023 -5.3023 -1.5588 -1.5588 -1.5043 -1.5043 4.7748 4.7748 4.8143 4.8143 5.1954 5.1954 5.1985 5.1985 5.9161 5.9161 5.9820 5.9820 8.2561 8.2561 8.2961 8.2961 9.6576 9.6576 9.6741 9.6741 k = 0.2199 0.3808 0.2615 ( 17950 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5768 -20.5768 -20.5768 -20.5768 -7.3402 -7.3402 -7.3258 -7.3258 -5.4816 -5.4816 -5.4420 -5.4420 -5.3007 -5.3007 -5.2990 -5.2990 -1.5598 -1.5598 -1.5082 -1.5082 4.7763 4.7763 4.8146 4.8146 5.2211 5.2211 5.2236 5.2236 5.9325 5.9325 5.9941 5.9941 8.2565 8.2565 8.2935 8.2935 9.5990 9.5990 9.6147 9.6147 k = 0.2128 0.3685 0.2615 ( 17974 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5777 -20.5777 -20.5777 -20.5777 -7.3366 -7.3366 -7.3230 -7.3230 -5.4754 -5.4754 -5.4394 -5.4394 -5.2960 -5.2960 -5.2956 -5.2956 -1.5609 -1.5609 -1.5123 -1.5123 4.7785 4.7785 4.8157 4.8157 5.2487 5.2487 5.2506 5.2506 5.9478 5.9478 6.0053 6.0053 8.2599 8.2599 8.2938 8.2938 9.5429 9.5429 9.5579 9.5579 k = 0.2057 0.3562 0.2615 ( 17974 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5786 -20.5786 -20.5786 -20.5786 -7.3327 -7.3327 -7.3201 -7.3201 -5.4690 -5.4690 -5.4364 -5.4364 -5.2919 -5.2919 -5.2911 -5.2911 -1.5621 -1.5621 -1.5166 -1.5166 4.7817 4.7817 4.8176 4.8176 5.2780 5.2780 5.2792 5.2792 5.9619 5.9619 6.0152 6.0152 8.2666 8.2666 8.2973 8.2973 9.4895 9.4895 9.5039 9.5039 k = 0.1986 0.3440 0.2615 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5796 -20.5796 -20.5796 -20.5796 -7.3287 -7.3287 -7.3170 -7.3170 -5.4625 -5.4625 -5.4332 -5.4332 -5.2881 -5.2881 -5.2862 -5.2862 -1.5636 -1.5636 -1.5210 -1.5210 4.7860 4.7860 4.8204 4.8204 5.3089 5.3089 5.3094 5.3094 5.9746 5.9746 6.0238 6.0238 8.2768 8.2768 8.3044 8.3044 9.4389 9.4389 9.4527 9.4527 k = 0.1915 0.3317 0.2615 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5806 -20.5806 -20.5806 -20.5806 -7.3245 -7.3245 -7.3137 -7.3137 -5.4558 -5.4558 -5.4298 -5.4298 -5.2839 -5.2839 -5.2810 -5.2810 -1.5652 -1.5652 -1.5257 -1.5257 4.7913 4.7913 4.8243 4.8243 5.3409 5.3409 5.3413 5.3413 5.9856 5.9856 6.0308 6.0308 8.2907 8.2907 8.3153 8.3153 9.3913 9.3913 9.4045 9.4045 k = 0.1844 0.3194 0.2615 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5817 -20.5817 -20.5816 -20.5816 -7.3203 -7.3203 -7.3104 -7.3104 -5.4491 -5.4491 -5.4262 -5.4262 -5.2794 -5.2794 -5.2757 -5.2757 -1.5671 -1.5671 -1.5306 -1.5306 4.7977 4.7977 4.8292 4.8292 5.3737 5.3737 5.3749 5.3749 5.9948 5.9948 6.0361 6.0361 8.3087 8.3087 8.3303 8.3303 9.3468 9.3468 9.3595 9.3595 k = 0.1773 0.3071 0.2615 ( 17972 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5827 -20.5827 -20.5827 -20.5827 -7.3159 -7.3159 -7.3069 -7.3069 -5.4425 -5.4425 -5.4225 -5.4225 -5.2746 -5.2746 -5.2701 -5.2701 -1.5692 -1.5692 -1.5356 -1.5356 4.8052 4.8052 4.8351 4.8351 5.4075 5.4075 5.4096 5.4096 6.0021 6.0021 6.0397 6.0397 8.3309 8.3309 8.3496 8.3496 9.3055 9.3055 9.3178 9.3178 k = 0.1702 0.2948 0.2615 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5838 -20.5838 -20.5838 -20.5838 -7.3116 -7.3116 -7.3033 -7.3033 -5.4360 -5.4360 -5.4187 -5.4187 -5.2693 -5.2693 -5.2642 -5.2642 -1.5715 -1.5715 -1.5409 -1.5409 4.8138 4.8138 4.8421 4.8421 5.4421 5.4421 5.4452 5.4452 6.0074 6.0074 6.0417 6.0417 8.3574 8.3574 8.3734 8.3734 9.2677 9.2677 9.2794 9.2794 k = 0.1631 0.2825 0.2615 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5849 -20.5849 -20.5849 -20.5849 -7.3071 -7.3071 -7.2997 -7.2997 -5.4297 -5.4297 -5.4150 -5.4150 -5.2636 -5.2636 -5.2581 -5.2581 -1.5741 -1.5741 -1.5463 -1.5463 4.8235 4.8235 4.8501 4.8501 5.4774 5.4774 5.4815 5.4815 6.0109 6.0109 6.0421 6.0421 8.3883 8.3883 8.4017 8.4017 9.2333 9.2333 9.2447 9.2447 k = 0.1560 0.2702 0.2615 ( 17976 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5860 -20.5860 -20.5860 -20.5860 -7.3027 -7.3027 -7.2961 -7.2961 -5.4237 -5.4237 -5.4113 -5.4113 -5.2574 -5.2574 -5.2515 -5.2515 -1.5769 -1.5769 -1.5518 -1.5518 4.8341 4.8341 4.8591 4.8591 5.5131 5.5131 5.5183 5.5183 6.0126 6.0126 6.0410 6.0410 8.4236 8.4236 8.4346 8.4346 9.2026 9.2026 9.2136 9.2136 k = 0.1489 0.2580 0.2615 ( 17972 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5871 -20.5871 -20.5871 -20.5871 -7.2983 -7.2983 -7.2924 -7.2924 -5.4181 -5.4181 -5.4078 -5.4078 -5.2507 -5.2507 -5.2447 -5.2447 -1.5800 -1.5800 -1.5575 -1.5575 4.8456 4.8456 4.8688 4.8688 5.5490 5.5490 5.5555 5.5555 6.0127 6.0127 6.0387 6.0387 8.4632 8.4632 8.4720 8.4720 9.1757 9.1757 9.1863 9.1863 k = 0.1418 0.2457 0.2615 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5882 -20.5882 -20.5882 -20.5882 -7.2939 -7.2939 -7.2887 -7.2887 -5.4129 -5.4129 -5.4044 -5.4044 -5.2435 -5.2435 -5.2375 -5.2375 -1.5833 -1.5833 -1.5634 -1.5634 4.8578 4.8578 4.8793 4.8793 5.5850 5.5850 5.5927 5.5927 6.0114 6.0114 6.0354 6.0354 8.5070 8.5070 8.5138 8.5138 9.1527 9.1527 9.1629 9.1629 k = 0.1348 0.2334 0.2615 ( 17974 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5893 -20.5893 -20.5893 -20.5893 -7.2897 -7.2897 -7.2851 -7.2851 -5.4081 -5.4081 -5.4012 -5.4012 -5.2358 -5.2358 -5.2299 -5.2299 -1.5869 -1.5869 -1.5693 -1.5693 4.8706 4.8706 4.8903 4.8903 5.6208 5.6208 5.6299 5.6299 6.0090 6.0090 6.0314 6.0314 8.5547 8.5547 8.5598 8.5598 9.1336 9.1336 9.1436 9.1436 k = 0.1277 0.2211 0.2615 ( 17980 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5904 -20.5904 -20.5904 -20.5904 -7.2855 -7.2855 -7.2815 -7.2815 -5.4038 -5.4038 -5.3982 -5.3982 -5.2277 -5.2277 -5.2221 -5.2221 -1.5907 -1.5907 -1.5754 -1.5754 4.8837 4.8837 4.9016 4.9016 5.6562 5.6562 5.6666 5.6666 6.0059 6.0059 6.0271 6.0271 8.6062 8.6062 8.6096 8.6096 9.1186 9.1186 9.1285 9.1285 k = 0.1206 0.2088 0.2615 ( 17976 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5915 -20.5915 -20.5915 -20.5915 -7.2814 -7.2814 -7.2780 -7.2780 -5.3999 -5.3999 -5.3955 -5.3955 -5.2192 -5.2192 -5.2140 -5.2140 -1.5947 -1.5947 -1.5815 -1.5815 4.8970 4.8970 4.9131 4.9131 5.6910 5.6910 5.7029 5.7029 6.0024 6.0024 6.0228 6.0228 8.6609 8.6609 8.6629 8.6629 9.1079 9.1079 9.1177 9.1177 k = 0.1135 0.1965 0.2615 ( 17984 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5926 -20.5926 -20.5926 -20.5926 -7.2775 -7.2775 -7.2746 -7.2746 -5.3964 -5.3964 -5.3930 -5.3930 -5.2104 -5.2104 -5.2056 -5.2056 -1.5989 -1.5989 -1.5876 -1.5876 4.9101 4.9101 4.9244 4.9244 5.7249 5.7249 5.7383 5.7383 5.9989 5.9989 6.0188 6.0188 8.7183 8.7183 8.7191 8.7191 9.1013 9.1013 9.1113 9.1113 k = 0.1064 0.1843 0.2615 ( 17970 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5936 -20.5936 -20.5936 -20.5936 -7.2737 -7.2737 -7.2713 -7.2713 -5.3934 -5.3934 -5.3908 -5.3908 -5.2014 -5.2014 -5.1971 -5.1971 -1.6032 -1.6032 -1.5936 -1.5936 4.9229 4.9229 4.9355 4.9355 5.7579 5.7579 5.7727 5.7727 5.9957 5.9957 6.0155 6.0155 8.7774 8.7774 8.7779 8.7779 9.0991 9.0991 9.1095 9.1095 k = 0.0993 0.1720 0.2615 ( 17962 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5946 -20.5946 -20.5946 -20.5946 -7.2702 -7.2702 -7.2682 -7.2682 -5.3908 -5.3908 -5.3888 -5.3888 -5.1923 -5.1923 -5.1886 -5.1886 -1.6076 -1.6076 -1.5997 -1.5997 4.9351 4.9351 4.9460 4.9460 5.7896 5.7896 5.8059 5.8059 5.9933 5.9933 6.0132 6.0132 8.8368 8.8368 8.8388 8.8388 9.1015 9.1015 9.1127 9.1127 k = 0.0922 0.1597 0.2615 ( 17954 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5955 -20.5955 -20.5955 -20.5955 -7.2668 -7.2668 -7.2652 -7.2652 -5.3885 -5.3885 -5.3870 -5.3870 -5.1832 -5.1832 -5.1800 -5.1800 -1.6120 -1.6120 -1.6056 -1.6056 4.9465 4.9465 4.9557 4.9557 5.8200 5.8200 5.8376 5.8376 5.9918 5.9918 6.0121 6.0121 8.8961 8.8961 8.8998 8.8998 9.1087 9.1087 9.1213 9.1213 k = 0.0851 0.1474 0.2615 ( 17958 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5964 -20.5964 -20.5964 -20.5964 -7.2636 -7.2636 -7.2623 -7.2623 -5.3866 -5.3866 -5.3855 -5.3855 -5.1742 -5.1742 -5.1716 -5.1716 -1.6165 -1.6165 -1.6113 -1.6113 4.9570 4.9570 4.9646 4.9646 5.8489 5.8489 5.8677 5.8677 5.9915 5.9915 6.0123 6.0123 8.9532 8.9532 8.9591 8.9591 9.1215 9.1215 9.1364 9.1364 k = 0.0780 0.1351 0.2615 ( 17962 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5973 -20.5973 -20.5973 -20.5973 -7.2606 -7.2606 -7.2597 -7.2597 -5.3849 -5.3849 -5.3841 -5.3841 -5.1655 -5.1655 -5.1633 -5.1633 -1.6209 -1.6209 -1.6168 -1.6168 4.9663 4.9663 4.9725 4.9725 5.8761 5.8761 5.8960 5.8960 5.9926 5.9926 6.0138 6.0138 9.0052 9.0052 9.0137 9.0137 9.1416 9.1416 9.1594 9.1594 k = 0.0709 0.1228 0.2615 ( 17958 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5981 -20.5981 -20.5981 -20.5981 -7.2579 -7.2579 -7.2572 -7.2572 -5.3835 -5.3835 -5.3830 -5.3830 -5.1570 -5.1570 -5.1554 -5.1554 -1.6252 -1.6252 -1.6221 -1.6221 4.9744 4.9744 4.9793 4.9793 5.9015 5.9015 5.9221 5.9221 5.9951 5.9951 6.0166 6.0166 9.0492 9.0492 9.0596 9.0596 9.1714 9.1714 9.1918 9.1918 k = 0.0638 0.1106 0.2615 ( 17968 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5988 -20.5988 -20.5988 -20.5988 -7.2555 -7.2555 -7.2549 -7.2549 -5.3824 -5.3824 -5.3820 -5.3820 -5.1491 -5.1491 -5.1478 -5.1478 -1.6293 -1.6293 -1.6270 -1.6270 4.9813 4.9813 4.9850 4.9850 5.9251 5.9251 5.9459 5.9459 5.9991 5.9991 6.0205 6.0205 9.0843 9.0843 9.0946 9.0946 9.2113 9.2113 9.2327 9.2327 k = 0.0567 0.0983 0.2615 ( 17976 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.5995 -20.5995 -20.5995 -20.5995 -7.2532 -7.2532 -7.2528 -7.2528 -5.3814 -5.3814 -5.3811 -5.3811 -5.1417 -5.1417 -5.1407 -5.1407 -1.6332 -1.6332 -1.6316 -1.6316 4.9870 4.9870 4.9896 4.9896 5.9468 5.9468 5.9671 5.9671 6.0046 6.0046 6.0252 6.0252 9.1120 9.1120 9.1208 9.1208 9.2571 9.2571 9.2782 9.2782 k = 0.0496 0.0860 0.2615 ( 17978 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6001 -20.6001 -20.6001 -20.6001 -7.2512 -7.2512 -7.2510 -7.2510 -5.3806 -5.3806 -5.3804 -5.3804 -5.1349 -5.1349 -5.1342 -5.1342 -1.6368 -1.6368 -1.6357 -1.6357 4.9915 4.9915 4.9933 4.9933 5.9664 5.9664 5.9850 5.9850 6.0116 6.0116 6.0305 6.0305 9.1345 9.1345 9.1413 9.1413 9.3034 9.3034 9.3240 9.3240 k = 0.0426 0.0737 0.2615 ( 17978 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6006 -20.6006 -20.6006 -20.6006 -7.2495 -7.2495 -7.2494 -7.2494 -5.3799 -5.3799 -5.3798 -5.3798 -5.1288 -5.1288 -5.1284 -5.1284 -1.6401 -1.6401 -1.6394 -1.6394 4.9950 4.9950 4.9961 4.9961 5.9839 5.9839 5.9993 5.9993 6.0204 6.0204 6.0359 6.0359 9.1524 9.1524 9.1574 9.1574 9.3466 9.3466 9.3666 9.3666 k = 0.0355 0.0614 0.2615 ( 17996 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6010 -20.6010 -20.6010 -20.6010 -7.2481 -7.2481 -7.2480 -7.2480 -5.3794 -5.3794 -5.3793 -5.3793 -5.1236 -5.1236 -5.1233 -5.1233 -1.6430 -1.6430 -1.6426 -1.6426 4.9975 4.9975 4.9982 4.9982 5.9990 5.9990 6.0099 6.0099 6.0302 6.0302 6.0413 6.0413 9.1658 9.1658 9.1690 9.1690 9.3848 9.3848 9.4038 9.4038 k = 0.0284 0.0491 0.2615 ( 18008 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6014 -20.6014 -20.6014 -20.6014 -7.2469 -7.2469 -7.2468 -7.2468 -5.3790 -5.3790 -5.3790 -5.3790 -5.1192 -5.1192 -5.1191 -5.1191 -1.6454 -1.6454 -1.6452 -1.6452 4.9994 4.9994 4.9997 4.9997 6.0115 6.0115 6.0180 6.0180 6.0397 6.0397 6.0462 6.0462 9.1745 9.1745 9.1762 9.1762 9.4168 9.4168 9.4342 9.4342 k = 0.0213 0.0369 0.2615 ( 18008 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6017 -20.6017 -20.6017 -20.6017 -7.2460 -7.2460 -7.2459 -7.2459 -5.3787 -5.3787 -5.3787 -5.3787 -5.1157 -5.1157 -5.1157 -5.1157 -1.6474 -1.6474 -1.6473 -1.6473 5.0006 5.0006 5.0008 5.0008 6.0212 6.0212 6.0243 6.0243 6.0476 6.0476 6.0507 6.0507 9.1787 9.1787 9.1795 9.1795 9.4421 9.4421 9.4566 9.4566 k = 0.0142 0.0246 0.2615 ( 18000 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6019 -20.6019 -20.6019 -20.6019 -7.2453 -7.2453 -7.2453 -7.2453 -5.3785 -5.3785 -5.3785 -5.3785 -5.1132 -5.1132 -5.1132 -5.1132 -1.6488 -1.6488 -1.6488 -1.6488 5.0014 5.0014 5.0014 5.0014 6.0280 6.0280 6.0290 6.0290 6.0533 6.0533 6.0543 6.0543 9.1799 9.1799 9.1801 9.1801 9.4605 9.4605 9.4694 9.4694 k = 0.0071 0.0123 0.2615 ( 17996 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6020 -20.6020 -20.6020 -20.6020 -7.2449 -7.2449 -7.2449 -7.2449 -5.3784 -5.3784 -5.3784 -5.3784 -5.1117 -5.1117 -5.1117 -5.1117 -1.6497 -1.6497 -1.6497 -1.6497 5.0018 5.0018 5.0018 5.0018 6.0319 6.0319 6.0320 6.0320 6.0566 6.0566 6.0568 6.0568 9.1796 9.1796 9.1796 9.1796 9.4712 9.4712 9.4730 9.4730 k = 0.0000 0.0000 0.2615 ( 17992 PWs) bands (ev): -39.0581 -39.0581 -39.0581 -39.0581 -20.6021 -20.6021 -20.6021 -20.6021 -7.2448 -7.2448 -7.2448 -7.2448 -5.3783 -5.3783 -5.3783 -5.3783 -5.1112 -5.1112 -5.1112 -5.1112 -1.6500 -1.6500 -1.6500 -1.6500 5.0019 5.0019 5.0019 5.0019 6.0331 6.0331 6.0331 6.0331 6.0577 6.0577 6.0577 6.0577 9.1793 9.1793 9.1793 9.1793 9.4740 9.4740 9.4740 9.4740 k = 0.5000 0.2887 0.2615 ( 17992 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5736 -20.5736 -20.5736 -20.5736 -7.3496 -7.3496 -7.3496 -7.3496 -5.5169 -5.5169 -5.5169 -5.5169 -5.2592 -5.2592 -5.2592 -5.2592 -1.5384 -1.5384 -1.5384 -1.5384 4.5628 4.5628 4.5628 4.5628 5.5555 5.5555 5.5555 5.5555 5.7762 5.7762 5.7762 5.7762 7.9431 7.9431 7.9431 7.9431 9.9663 9.9663 9.9663 9.9663 k = 0.5000 0.2887 0.2477 ( 18010 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5746 -20.5746 -20.5726 -20.5726 -7.3516 -7.3516 -7.3477 -7.3477 -5.5204 -5.5204 -5.5139 -5.5139 -5.2656 -5.2656 -5.2521 -5.2521 -1.5628 -1.5628 -1.5139 -1.5139 4.5137 4.5137 4.6125 4.6125 5.5223 5.5223 5.5886 5.5886 5.7382 5.7382 5.8150 5.8150 7.9249 7.9249 7.9575 7.9575 9.9546 9.9546 9.9871 9.9871 k = 0.5000 0.2887 0.2340 ( 17996 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5756 -20.5756 -20.5716 -20.5716 -7.3536 -7.3536 -7.3459 -7.3459 -5.5242 -5.5242 -5.5112 -5.5112 -5.2713 -5.2713 -5.2446 -5.2446 -1.5871 -1.5871 -1.4896 -1.4896 4.4654 4.4654 4.6625 4.6625 5.4897 5.4897 5.6201 5.6201 5.7025 5.7025 5.8539 5.8539 7.9032 7.9032 7.9680 7.9680 9.9519 9.9519 10.0165 10.0165 k = 0.5000 0.2887 0.2202 ( 17984 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5766 -20.5766 -20.5707 -20.5707 -7.3556 -7.3556 -7.3442 -7.3442 -5.5282 -5.5282 -5.5089 -5.5089 -5.2763 -5.2763 -5.2366 -5.2366 -1.6110 -1.6110 -1.4655 -1.4655 4.4183 4.4183 4.7124 4.7124 5.4578 5.4578 5.6379 5.6379 5.6813 5.6813 5.8925 5.8925 7.8784 7.8784 7.9745 7.9745 9.9581 9.9581 10.0542 10.0542 k = 0.5000 0.2887 0.2064 ( 17974 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5776 -20.5776 -20.5697 -20.5697 -7.3577 -7.3577 -7.3426 -7.3426 -5.5324 -5.5324 -5.5071 -5.5071 -5.2806 -5.2806 -5.2282 -5.2282 -1.6343 -1.6343 -1.4419 -1.4419 4.3725 4.3725 4.7619 4.7619 5.4269 5.4269 5.6154 5.6154 5.7010 5.7010 5.9306 5.9306 7.8512 7.8512 7.9772 7.9772 9.9731 9.9731 10.0994 10.0994 k = 0.5000 0.2887 0.1927 ( 17972 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5785 -20.5785 -20.5688 -20.5688 -7.3597 -7.3597 -7.3411 -7.3411 -5.5368 -5.5368 -5.5058 -5.5058 -5.2842 -5.2842 -5.2196 -5.2196 -1.6571 -1.6571 -1.4190 -1.4190 4.3284 4.3284 4.8106 4.8106 5.3972 5.3972 5.5823 5.5823 5.7322 5.7322 5.9679 5.9679 7.8222 7.8222 7.9763 7.9763 9.9964 9.9964 10.1512 10.1512 k = 0.5000 0.2887 0.1789 ( 17998 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5794 -20.5794 -20.5679 -20.5679 -7.3618 -7.3618 -7.3397 -7.3397 -5.5412 -5.5412 -5.5049 -5.5049 -5.2870 -5.2870 -5.2109 -5.2109 -1.6790 -1.6790 -1.3968 -1.3968 4.2862 4.2862 4.8582 4.8582 5.3689 5.3689 5.5490 5.5490 5.7644 5.7644 6.0041 6.0041 7.7919 7.7919 7.9723 7.9723 10.0275 10.0275 10.2086 10.2086 k = 0.5000 0.2887 0.1652 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5802 -20.5802 -20.5670 -20.5670 -7.3638 -7.3638 -7.3384 -7.3384 -5.5455 -5.5455 -5.5043 -5.5043 -5.2892 -5.2892 -5.2022 -5.2022 -1.6999 -1.6999 -1.3755 -1.3755 4.2462 4.2462 4.9043 4.9043 5.3421 5.3421 5.5169 5.5169 5.7961 5.7961 6.0389 6.0389 7.7611 7.7611 7.9657 7.9657 10.0660 10.0660 10.2702 10.2702 k = 0.5000 0.2887 0.1514 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5810 -20.5810 -20.5662 -20.5662 -7.3657 -7.3657 -7.3372 -7.3372 -5.5498 -5.5498 -5.5041 -5.5041 -5.2909 -5.2909 -5.1937 -5.1937 -1.7198 -1.7198 -1.3553 -1.3553 4.2085 4.2085 4.9485 4.9485 5.3170 5.3170 5.4866 5.4866 5.8268 5.8268 6.0721 6.0721 7.7303 7.7303 7.9570 7.9570 10.1113 10.1113 10.3348 10.3348 k = 0.5000 0.2887 0.1376 ( 18000 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5818 -20.5818 -20.5654 -20.5654 -7.3676 -7.3676 -7.3361 -7.3361 -5.5539 -5.5539 -5.5042 -5.5042 -5.2920 -5.2920 -5.1854 -5.1854 -1.7384 -1.7384 -1.3363 -1.3363 4.1733 4.1733 4.9902 4.9902 5.2936 5.2936 5.4584 5.4584 5.8561 5.8561 6.1035 6.1035 7.7002 7.7002 7.9466 7.9466 10.1628 10.1628 10.4009 10.4009 k = 0.5000 0.2887 0.1239 ( 17998 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5825 -20.5825 -20.5647 -20.5647 -7.3694 -7.3694 -7.3352 -7.3352 -5.5578 -5.5578 -5.5045 -5.5045 -5.2927 -5.2927 -5.1774 -5.1774 -1.7556 -1.7556 -1.3187 -1.3187 4.1409 4.1409 5.0292 5.0292 5.2722 5.2722 5.4327 5.4327 5.8837 5.8837 6.1327 6.1327 7.6714 7.6714 7.9352 7.9352 10.2201 10.2201 10.4669 10.4669 k = 0.5000 0.2887 0.1101 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5831 -20.5831 -20.5641 -20.5641 -7.3710 -7.3710 -7.3343 -7.3343 -5.5615 -5.5615 -5.5050 -5.5050 -5.2930 -5.2930 -5.1700 -5.1700 -1.7714 -1.7714 -1.3026 -1.3026 4.1114 4.1114 5.0648 5.0648 5.2527 5.2527 5.4098 5.4098 5.9093 5.9093 6.1597 6.1597 7.6442 7.6442 7.9233 7.9233 10.2825 10.2825 10.5313 10.5313 k = 0.5000 0.2887 0.0963 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5837 -20.5837 -20.5635 -20.5635 -7.3725 -7.3725 -7.3336 -7.3336 -5.5648 -5.5648 -5.5055 -5.5055 -5.2931 -5.2931 -5.1632 -5.1632 -1.7856 -1.7856 -1.2880 -1.2880 4.0850 4.0850 5.0965 5.0965 5.2353 5.2353 5.3899 5.3899 5.9326 5.9326 6.1841 6.1841 7.6192 7.6192 7.9114 7.9114 10.3494 10.3494 10.5926 10.5926 k = 0.5000 0.2887 0.0826 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5842 -20.5842 -20.5630 -20.5630 -7.3739 -7.3739 -7.3329 -7.3329 -5.5678 -5.5678 -5.5061 -5.5061 -5.2930 -5.2930 -5.1570 -5.1570 -1.7981 -1.7981 -1.2752 -1.2752 4.0617 4.0617 5.1240 5.1240 5.2202 5.2202 5.3733 5.3733 5.9533 5.9533 6.2057 6.2057 7.5967 7.5967 7.8999 7.8999 10.4200 10.4200 10.6495 10.6495 k = 0.5000 0.2887 0.0688 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5847 -20.5847 -20.5625 -20.5625 -7.3750 -7.3750 -7.3324 -7.3324 -5.5703 -5.5703 -5.5067 -5.5067 -5.2928 -5.2928 -5.1517 -5.1517 -1.8089 -1.8089 -1.2642 -1.2642 4.0419 4.0419 5.1466 5.1466 5.2073 5.2073 5.3603 5.3603 5.9714 5.9714 6.2244 6.2244 7.5772 7.5772 7.8894 7.8894 10.4935 10.4935 10.7011 10.7011 k = 0.5000 0.2887 0.0551 ( 17968 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5850 -20.5850 -20.5622 -20.5622 -7.3760 -7.3760 -7.3319 -7.3319 -5.5725 -5.5725 -5.5073 -5.5073 -5.2926 -5.2926 -5.1472 -5.1472 -1.8178 -1.8178 -1.2550 -1.2550 4.0255 4.0255 5.1642 5.1642 5.1968 5.1968 5.3507 5.3507 5.9864 5.9864 6.2400 6.2400 7.5607 7.5607 7.8802 7.8802 10.5678 10.5678 10.7477 10.7477 k = 0.5000 0.2887 0.0413 ( 17978 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5853 -20.5853 -20.5619 -20.5619 -7.3768 -7.3768 -7.3316 -7.3316 -5.5742 -5.5742 -5.5077 -5.5077 -5.2923 -5.2923 -5.1436 -5.1436 -1.8248 -1.8248 -1.2478 -1.2478 4.0126 4.0126 5.1761 5.1761 5.1894 5.1894 5.3445 5.3445 5.9983 5.9983 6.2523 6.2523 7.5477 7.5477 7.8727 7.8727 10.6393 10.6393 10.7914 10.7914 k = 0.5000 0.2887 0.0275 ( 17980 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5855 -20.5855 -20.5617 -20.5617 -7.3773 -7.3773 -7.3314 -7.3314 -5.5754 -5.5754 -5.5081 -5.5081 -5.2921 -5.2921 -5.1410 -5.1410 -1.8298 -1.8298 -1.2427 -1.2427 4.0034 4.0034 5.1793 5.1793 5.1887 5.1887 5.3409 5.3409 6.0069 6.0069 6.2611 6.2611 7.5382 7.5382 7.8672 7.8672 10.6997 10.6997 10.8393 10.8393 k = 0.5000 0.2887 0.0138 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5856 -20.5856 -20.5616 -20.5616 -7.3777 -7.3777 -7.3312 -7.3312 -5.5761 -5.5761 -5.5083 -5.5083 -5.2920 -5.2920 -5.1395 -5.1395 -1.8328 -1.8328 -1.2396 -1.2396 3.9978 3.9978 5.1770 5.1770 5.1920 5.1920 5.3393 5.3393 6.0121 6.0121 6.2665 6.2665 7.5325 7.5325 7.8637 7.8637 10.7375 10.7375 10.8858 10.8859 k = 0.5000 0.2887-0.0000 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5857 -20.5857 -20.5615 -20.5615 -7.3778 -7.3778 -7.3312 -7.3312 -5.5764 -5.5764 -5.5083 -5.5083 -5.2920 -5.2920 -5.1389 -5.1389 -1.8338 -1.8338 -1.2385 -1.2385 3.9960 3.9960 5.1760 5.1760 5.1933 5.1933 5.3388 5.3388 6.0139 6.0139 6.2683 6.2683 7.5306 7.5306 7.8626 7.8626 10.7496 10.7496 10.8842 10.8842 k = 0.3333 0.5774-0.0000 ( 17952 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5580 -20.5580 -7.3786 -7.3786 -7.3429 -7.3429 -5.5648 -5.5648 -5.4696 -5.4696 -5.3973 -5.3973 -5.1998 -5.1998 -1.5583 -1.5583 -1.4835 -1.4835 4.3740 4.3740 4.8253 4.8253 4.8842 4.8842 5.6395 5.6395 5.8007 5.8007 5.8238 5.8238 8.7767 8.7767 8.8425 8.8425 9.5610 9.5610 9.6036 9.6036 k = 0.3333 0.5774 0.0138 ( 17976 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5820 -20.5820 -20.5581 -20.5581 -7.3785 -7.3785 -7.3429 -7.3429 -5.5646 -5.5646 -5.4692 -5.4692 -5.3975 -5.3975 -5.2003 -5.2003 -1.5582 -1.5582 -1.4835 -1.4835 4.3761 4.3761 4.8252 4.8252 4.8839 4.8839 5.6381 5.6381 5.7996 5.7996 5.8240 5.8240 8.7717 8.7717 8.8374 8.8374 9.5688 9.5688 9.6112 9.6112 k = 0.3333 0.5774 0.0275 ( 17973 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5819 -20.5819 -20.5582 -20.5582 -7.3783 -7.3783 -7.3429 -7.3429 -5.5640 -5.5640 -5.4681 -5.4681 -5.3982 -5.3982 -5.2019 -5.2019 -1.5581 -1.5581 -1.4832 -1.4832 4.3824 4.3824 4.8250 4.8250 4.8831 4.8831 5.6340 5.6340 5.7963 5.7963 5.8244 5.8244 8.7575 8.7575 8.8225 8.8225 9.5913 9.5913 9.6331 9.6331 k = 0.3333 0.5774 0.0413 ( 17973 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5817 -20.5817 -20.5584 -20.5584 -7.3780 -7.3780 -7.3429 -7.3429 -5.5631 -5.5631 -5.4663 -5.4663 -5.3993 -5.3993 -5.2046 -5.2046 -1.5580 -1.5580 -1.4829 -1.4829 4.3930 4.3930 4.8247 4.8247 4.8818 4.8818 5.6267 5.6267 5.7912 5.7912 5.8250 5.8250 8.7356 8.7356 8.7999 8.7999 9.6269 9.6269 9.6679 9.6679 k = 0.3333 0.5774 0.0551 ( 17973 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5814 -20.5814 -20.5587 -20.5587 -7.3776 -7.3776 -7.3430 -7.3430 -5.5618 -5.5618 -5.4637 -5.4637 -5.4008 -5.4008 -5.2083 -5.2083 -1.5577 -1.5577 -1.4824 -1.4824 4.4076 4.4076 4.8243 4.8243 4.8800 4.8800 5.6160 5.6160 5.7848 5.7848 5.8259 5.8259 8.7079 8.7079 8.7716 8.7716 9.6730 9.6730 9.7136 9.7136 k = 0.3333 0.5774 0.0688 ( 17973 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5810 -20.5810 -20.5590 -20.5590 -7.3770 -7.3770 -7.3430 -7.3430 -5.5601 -5.5601 -5.4603 -5.4603 -5.4027 -5.4027 -5.2130 -5.2130 -1.5575 -1.5575 -1.4818 -1.4818 4.4262 4.4262 4.8238 4.8238 4.8777 4.8777 5.6012 5.6012 5.7779 5.7779 5.8271 5.8271 8.6763 8.6763 8.7397 8.7397 9.7277 9.7277 9.7680 9.7680 k = 0.3333 0.5774 0.0826 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5806 -20.5806 -20.5595 -20.5595 -7.3764 -7.3764 -7.3431 -7.3431 -5.5581 -5.5581 -5.4563 -5.4563 -5.4049 -5.4049 -5.2186 -5.2186 -1.5571 -1.5571 -1.4810 -1.4810 4.4488 4.4488 4.8232 4.8232 4.8752 4.8752 5.5820 5.5820 5.7711 5.7711 5.8284 5.8284 8.6427 8.6427 8.7061 8.7061 9.7889 9.7889 9.8293 9.8293 k = 0.3333 0.5774 0.0963 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5801 -20.5801 -20.5600 -20.5600 -7.3756 -7.3756 -7.3432 -7.3432 -5.5558 -5.5558 -5.4515 -5.4515 -5.4075 -5.4075 -5.2252 -5.2252 -1.5568 -1.5568 -1.4802 -1.4802 4.4750 4.4750 4.8226 4.8226 4.8723 4.8723 5.5580 5.5580 5.7648 5.7648 5.8298 5.8298 8.6083 8.6083 8.6721 8.6721 9.8552 9.8552 9.8960 9.8960 k = 0.3333 0.5774 0.1101 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5795 -20.5795 -20.5606 -20.5606 -7.3749 -7.3749 -7.3433 -7.3433 -5.5532 -5.5532 -5.4460 -5.4460 -5.4104 -5.4104 -5.2325 -5.2325 -1.5564 -1.5564 -1.4794 -1.4794 4.5049 4.5049 4.8221 4.8221 4.8692 4.8692 5.5294 5.5294 5.7593 5.7593 5.8313 5.8313 8.5743 8.5743 8.6387 8.6387 9.9253 9.9253 9.9668 9.9668 k = 0.3333 0.5774 0.1239 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5789 -20.5789 -20.5612 -20.5612 -7.3740 -7.3740 -7.3434 -7.3434 -5.5504 -5.5504 -5.4399 -5.4399 -5.4135 -5.4135 -5.2406 -5.2406 -1.5560 -1.5560 -1.4785 -1.4785 4.5380 4.5380 4.8215 4.8215 4.8659 4.8659 5.4963 5.4963 5.7547 5.7547 5.8330 5.8330 8.5415 8.5415 8.6066 8.6066 9.9982 9.9982 10.0405 10.0405 k = 0.3333 0.5774 0.1376 ( 17970 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5782 -20.5782 -20.5619 -20.5619 -7.3732 -7.3732 -7.3435 -7.3435 -5.5474 -5.5474 -5.4332 -5.4332 -5.4167 -5.4167 -5.2494 -5.2494 -1.5556 -1.5556 -1.4776 -1.4776 4.5742 4.5742 4.8212 4.8212 4.8627 4.8627 5.4592 5.4592 5.7510 5.7510 5.8346 5.8346 8.5105 8.5105 8.5765 8.5765 10.0729 10.0729 10.1162 10.1162 k = 0.3333 0.5774 0.1514 ( 17937 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5774 -20.5774 -20.5627 -20.5627 -7.3723 -7.3723 -7.3437 -7.3437 -5.5444 -5.5444 -5.4258 -5.4258 -5.4201 -5.4201 -5.2587 -5.2587 -1.5552 -1.5552 -1.4767 -1.4767 4.6132 4.6132 4.8211 4.8211 4.8595 4.8595 5.4184 5.4184 5.7480 5.7480 5.8362 5.8362 8.4818 8.4818 8.5487 8.5487 10.1485 10.1485 10.1928 10.1928 k = 0.3333 0.5774 0.1652 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5766 -20.5766 -20.5635 -20.5635 -7.3715 -7.3715 -7.3438 -7.3438 -5.5412 -5.5412 -5.4235 -5.4235 -5.4179 -5.4179 -5.2686 -5.2686 -1.5548 -1.5548 -1.4758 -1.4758 4.6543 4.6543 4.8215 4.8215 4.8564 4.8564 5.3744 5.3744 5.7456 5.7456 5.8377 5.8377 8.4557 8.4557 8.5236 8.5236 10.2239 10.2239 10.2694 10.2694 k = 0.3333 0.5774 0.1789 ( 17967 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5758 -20.5758 -20.5643 -20.5643 -7.3707 -7.3707 -7.3440 -7.3440 -5.5382 -5.5382 -5.4269 -5.4269 -5.4094 -5.4094 -5.2788 -5.2788 -1.5545 -1.5545 -1.4750 -1.4750 4.6969 4.6969 4.8231 4.8231 4.8536 4.8536 5.3278 5.3278 5.7438 5.7438 5.8392 5.8392 8.4327 8.4327 8.5014 8.5014 10.2980 10.2980 10.3448 10.3448 k = 0.3333 0.5774 0.1927 ( 17961 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5749 -20.5749 -20.5652 -20.5652 -7.3700 -7.3700 -7.3441 -7.3441 -5.5353 -5.5353 -5.4300 -5.4300 -5.4006 -5.4006 -5.2892 -5.2892 -1.5541 -1.5541 -1.4743 -1.4743 4.7387 4.7387 4.8277 4.8277 4.8510 4.8510 5.2790 5.2790 5.7423 5.7423 5.8404 5.8404 8.4128 8.4128 8.4823 8.4823 10.3693 10.3693 10.4176 10.4176 k = 0.3333 0.5774 0.2064 ( 17958 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5740 -20.5740 -20.5662 -20.5662 -7.3694 -7.3694 -7.3443 -7.3443 -5.5326 -5.5326 -5.4329 -5.4329 -5.3913 -5.3913 -5.2998 -5.2998 -1.5539 -1.5539 -1.4736 -1.4736 4.7738 4.7738 4.8409 4.8409 4.8488 4.8488 5.2284 5.2284 5.7413 5.7413 5.8415 5.8415 8.3964 8.3964 8.4666 8.4666 10.4356 10.4356 10.4860 10.4860 k = 0.3333 0.5774 0.2202 ( 17946 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5730 -20.5730 -20.5671 -20.5671 -7.3689 -7.3689 -7.3444 -7.3444 -5.5303 -5.5303 -5.4353 -5.4353 -5.3820 -5.3820 -5.3103 -5.3103 -1.5536 -1.5536 -1.4731 -1.4731 4.7929 4.7929 4.8471 4.8471 4.8718 4.8718 5.1766 5.1766 5.7405 5.7405 5.8424 5.8424 8.3834 8.3834 8.4542 8.4542 10.4941 10.4941 10.5473 10.5473 k = 0.3333 0.5774 0.2340 ( 17946 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5720 -20.5720 -20.5681 -20.5681 -7.3685 -7.3685 -7.3445 -7.3445 -5.5286 -5.5286 -5.4372 -5.4372 -5.3728 -5.3728 -5.3202 -5.3202 -1.5535 -1.5535 -1.4728 -1.4728 4.7997 4.7997 4.8458 4.8458 4.9162 4.9162 5.1240 5.1240 5.7399 5.7399 5.8431 5.8431 8.3741 8.3741 8.4453 8.4453 10.5411 10.5411 10.5974 10.5974 k = 0.3333 0.5774 0.2477 ( 17955 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5711 -20.5711 -20.5691 -20.5691 -7.3682 -7.3682 -7.3445 -7.3445 -5.5275 -5.5275 -5.4384 -5.4384 -5.3648 -5.3648 -5.3287 -5.3287 -1.5534 -1.5534 -1.4726 -1.4726 4.8021 4.8021 4.8450 4.8450 4.9657 4.9657 5.0712 5.0712 5.7396 5.7396 5.8435 5.8435 8.3685 8.3685 8.4399 8.4399 10.5721 10.5721 10.6309 10.6309 k = 0.3333 0.5774 0.2615 ( 17964 PWs) bands (ev): -39.0580 -39.0580 -39.0580 -39.0580 -20.5701 -20.5701 -20.5701 -20.5701 -7.3682 -7.3682 -7.3445 -7.3445 -5.5271 -5.5271 -5.4388 -5.4388 -5.3611 -5.3611 -5.3325 -5.3325 -1.5533 -1.5533 -1.4725 -1.4725 4.8028 4.8028 4.8447 4.8447 5.0114 5.0114 5.0245 5.0245 5.7395 5.7395 5.8436 5.8436 8.3667 8.3667 8.4381 8.4381 10.5830 10.5830 10.6428 10.6428 Writing output data file BaLiP.save init_run : 0.47s CPU 0.63s WALL ( 1 calls) electrons : 303.74s CPU 306.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 303.73s CPU 306.65s 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 : 0.14s CPU 0.20s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.13s CPU 0.28s WALL ( 290 calls) cegterg : 273.62s CPU 275.48s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 191.25s CPU 192.79s WALL ( 7290 calls) s_psi : 11.52s CPU 11.51s WALL ( 7290 calls) g_psi : 0.86s CPU 0.80s WALL ( 6575 calls) cdiaghg : 41.08s CPU 41.73s WALL ( 6865 calls) cegterg:over : 16.22s CPU 16.04s WALL ( 6575 calls) cegterg:upda : 19.06s CPU 19.01s WALL ( 6575 calls) cegterg:last : 9.70s CPU 9.64s WALL ( 1124 calls) cdiaghg:chol : 2.58s CPU 2.46s WALL ( 6865 calls) cdiaghg:inve : 1.38s CPU 1.42s WALL ( 6865 calls) cdiaghg:para : 2.42s CPU 2.47s WALL ( 13730 calls) Called by h_psi: h_psi:vloc : 166.62s CPU 168.05s WALL ( 7290 calls) h_psi:vnl : 23.87s CPU 23.92s WALL ( 7290 calls) add_vuspsi : 12.13s CPU 12.06s WALL ( 7290 calls) General routines calbec : 11.70s CPU 11.84s WALL ( 7290 calls) fft : 0.01s CPU 0.01s WALL ( 15 calls) fftw : 157.52s CPU 158.74s WALL ( 631344 calls) davcio : 0.30s CPU 0.62s WALL ( 580 calls) Parallel routines fft_scatter : 45.67s CPU 46.25s WALL ( 631359 calls) PWSCF : 5m37.37s CPU 5m54.35s WALL This run was terminated on: 14:11:26 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=