Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:48:59 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: ./BaCuP.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 28 22 6 1606 1098 172 Max 29 23 7 1621 1121 181 Sum 1039 817 241 58217 39913 6363 bravais-lattice index = 14 lattice parameter (alat) = 8.0105 a.u. unit-cell volume = 945.7708 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.010548 celldm(2)= 1.000000 celldm(3)= 2.124558 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 2.124558 ) 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 0.470686 ) 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for P read from file: /users/gautes/Pseudo/P.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 667ec27f6326587e4f0d1734a2230026 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Cu 11.00 63.54600 Cu( 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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 ) ( 1.0622788 ) 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= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033445 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033445 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033445 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033445 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033445 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033445 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033445 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033445 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033445 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033445 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033445 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033445 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033445 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033445 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033445 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033445 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033445 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033445 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033445 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033445 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033445 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033445 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033445 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033445 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033445 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033445 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033445 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033445 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033445 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033445 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0130746), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.0261492), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.0392238), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.0522985), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.0653731), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.0784477), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.0915223), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.1045969), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.1176716), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.1307462), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.1438208), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.1568954), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.1699700), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.1830446), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.1961193), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.2091939), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.2222685), wk = 0.0033445 k( 140) = ( 0.0000000 0.0000000 0.2353431), wk = 0.0033445 k( 141) = ( 0.0000000 0.0000000 0.2353431), wk = 0.0033445 k( 142) = ( 0.0116279 0.0067134 0.2353431), wk = 0.0033445 k( 143) = ( 0.0232558 0.0134267 0.2353431), wk = 0.0033445 k( 144) = ( 0.0348837 0.0201401 0.2353431), wk = 0.0033445 k( 145) = ( 0.0465116 0.0268535 0.2353431), wk = 0.0033445 k( 146) = ( 0.0581395 0.0335669 0.2353431), wk = 0.0033445 k( 147) = ( 0.0697674 0.0402803 0.2353431), wk = 0.0033445 k( 148) = ( 0.0813954 0.0469936 0.2353431), wk = 0.0033445 k( 149) = ( 0.0930233 0.0537070 0.2353431), wk = 0.0033445 k( 150) = ( 0.1046512 0.0604204 0.2353431), wk = 0.0033445 k( 151) = ( 0.1162791 0.0671338 0.2353431), wk = 0.0033445 k( 152) = ( 0.1279070 0.0738471 0.2353431), wk = 0.0033445 k( 153) = ( 0.1395349 0.0805605 0.2353431), wk = 0.0033445 k( 154) = ( 0.1511628 0.0872739 0.2353431), wk = 0.0033445 k( 155) = ( 0.1627907 0.0939873 0.2353431), wk = 0.0033445 k( 156) = ( 0.1744186 0.1007006 0.2353431), wk = 0.0033445 k( 157) = ( 0.1860465 0.1074140 0.2353431), wk = 0.0033445 k( 158) = ( 0.1976744 0.1141274 0.2353431), wk = 0.0033445 k( 159) = ( 0.2093023 0.1208408 0.2353431), wk = 0.0033445 k( 160) = ( 0.2209302 0.1275541 0.2353431), wk = 0.0033445 k( 161) = ( 0.2325581 0.1342675 0.2353431), wk = 0.0033445 k( 162) = ( 0.2441860 0.1409809 0.2353431), wk = 0.0033445 k( 163) = ( 0.2558140 0.1476943 0.2353431), wk = 0.0033445 k( 164) = ( 0.2674419 0.1544076 0.2353431), wk = 0.0033445 k( 165) = ( 0.2790698 0.1611210 0.2353431), wk = 0.0033445 k( 166) = ( 0.2906977 0.1678344 0.2353431), wk = 0.0033445 k( 167) = ( 0.3023256 0.1745478 0.2353431), wk = 0.0033445 k( 168) = ( 0.3139535 0.1812611 0.2353431), wk = 0.0033445 k( 169) = ( 0.3255814 0.1879745 0.2353431), wk = 0.0033445 k( 170) = ( 0.3372093 0.1946879 0.2353431), wk = 0.0033445 k( 171) = ( 0.3488372 0.2014013 0.2353431), wk = 0.0033445 k( 172) = ( 0.3604651 0.2081146 0.2353431), wk = 0.0033445 k( 173) = ( 0.3720930 0.2148280 0.2353431), wk = 0.0033445 k( 174) = ( 0.3837209 0.2215414 0.2353431), wk = 0.0033445 k( 175) = ( 0.3953488 0.2282548 0.2353431), wk = 0.0033445 k( 176) = ( 0.4069767 0.2349681 0.2353431), wk = 0.0033445 k( 177) = ( 0.4186047 0.2416815 0.2353431), wk = 0.0033445 k( 178) = ( 0.4302326 0.2483949 0.2353431), wk = 0.0033445 k( 179) = ( 0.4418605 0.2551083 0.2353431), wk = 0.0033445 k( 180) = ( 0.4534884 0.2618216 0.2353431), wk = 0.0033445 k( 181) = ( 0.4651163 0.2685350 0.2353431), wk = 0.0033445 k( 182) = ( 0.4767442 0.2752484 0.2353431), wk = 0.0033445 k( 183) = ( 0.4883721 0.2819618 0.2353431), wk = 0.0033445 k( 184) = ( 0.5000000 0.2886751 0.2353431), wk = 0.0033445 k( 185) = ( 0.5000000 0.2886751 0.2353431), wk = 0.0033445 k( 186) = ( 0.4933333 0.3002221 0.2353431), wk = 0.0033445 k( 187) = ( 0.4866667 0.3117692 0.2353431), wk = 0.0033445 k( 188) = ( 0.4800000 0.3233162 0.2353431), wk = 0.0033445 k( 189) = ( 0.4733333 0.3348632 0.2353431), wk = 0.0033445 k( 190) = ( 0.4666667 0.3464102 0.2353431), wk = 0.0033445 k( 191) = ( 0.4600000 0.3579572 0.2353431), wk = 0.0033445 k( 192) = ( 0.4533333 0.3695042 0.2353431), wk = 0.0033445 k( 193) = ( 0.4466667 0.3810512 0.2353431), wk = 0.0033445 k( 194) = ( 0.4400000 0.3925982 0.2353431), wk = 0.0033445 k( 195) = ( 0.4333333 0.4041452 0.2353431), wk = 0.0033445 k( 196) = ( 0.4266667 0.4156922 0.2353431), wk = 0.0033445 k( 197) = ( 0.4200000 0.4272392 0.2353431), wk = 0.0033445 k( 198) = ( 0.4133333 0.4387862 0.2353431), wk = 0.0033445 k( 199) = ( 0.4066667 0.4503332 0.2353431), wk = 0.0033445 k( 200) = ( 0.4000000 0.4618802 0.2353431), wk = 0.0033445 k( 201) = ( 0.3933333 0.4734272 0.2353431), wk = 0.0033445 k( 202) = ( 0.3866667 0.4849742 0.2353431), wk = 0.0033445 k( 203) = ( 0.3800000 0.4965212 0.2353431), wk = 0.0033445 k( 204) = ( 0.3733333 0.5080682 0.2353431), wk = 0.0033445 k( 205) = ( 0.3666667 0.5196152 0.2353431), wk = 0.0033445 k( 206) = ( 0.3600000 0.5311622 0.2353431), wk = 0.0033445 k( 207) = ( 0.3533333 0.5427092 0.2353431), wk = 0.0033445 k( 208) = ( 0.3466667 0.5542563 0.2353431), wk = 0.0033445 k( 209) = ( 0.3400000 0.5658033 0.2353431), wk = 0.0033445 k( 210) = ( 0.3333333 0.5773503 0.2353431), wk = 0.0033445 k( 211) = ( 0.3333333 0.5773503 0.2353431), wk = 0.0033445 k( 212) = ( 0.3266667 0.5658033 0.2353431), wk = 0.0033445 k( 213) = ( 0.3200000 0.5542563 0.2353431), wk = 0.0033445 k( 214) = ( 0.3133333 0.5427092 0.2353431), wk = 0.0033445 k( 215) = ( 0.3066667 0.5311623 0.2353431), wk = 0.0033445 k( 216) = ( 0.3000000 0.5196152 0.2353431), wk = 0.0033445 k( 217) = ( 0.2933333 0.5080682 0.2353431), wk = 0.0033445 k( 218) = ( 0.2866667 0.4965212 0.2353431), wk = 0.0033445 k( 219) = ( 0.2800000 0.4849742 0.2353431), wk = 0.0033445 k( 220) = ( 0.2733333 0.4734272 0.2353431), wk = 0.0033445 k( 221) = ( 0.2666667 0.4618802 0.2353431), wk = 0.0033445 k( 222) = ( 0.2600000 0.4503332 0.2353431), wk = 0.0033445 k( 223) = ( 0.2533333 0.4387862 0.2353431), wk = 0.0033445 k( 224) = ( 0.2466667 0.4272392 0.2353431), wk = 0.0033445 k( 225) = ( 0.2400000 0.4156922 0.2353431), wk = 0.0033445 k( 226) = ( 0.2333333 0.4041452 0.2353431), wk = 0.0033445 k( 227) = ( 0.2266667 0.3925982 0.2353431), wk = 0.0033445 k( 228) = ( 0.2200000 0.3810512 0.2353431), wk = 0.0033445 k( 229) = ( 0.2133333 0.3695042 0.2353431), wk = 0.0033445 k( 230) = ( 0.2066667 0.3579572 0.2353431), wk = 0.0033445 k( 231) = ( 0.2000000 0.3464102 0.2353431), wk = 0.0033445 k( 232) = ( 0.1933333 0.3348632 0.2353431), wk = 0.0033445 k( 233) = ( 0.1866667 0.3233162 0.2353431), wk = 0.0033445 k( 234) = ( 0.1800000 0.3117691 0.2353431), wk = 0.0033445 k( 235) = ( 0.1733333 0.3002221 0.2353431), wk = 0.0033445 k( 236) = ( 0.1666667 0.2886751 0.2353431), wk = 0.0033445 k( 237) = ( 0.1600000 0.2771281 0.2353431), wk = 0.0033445 k( 238) = ( 0.1533333 0.2655811 0.2353431), wk = 0.0033445 k( 239) = ( 0.1466667 0.2540341 0.2353431), wk = 0.0033445 k( 240) = ( 0.1400000 0.2424871 0.2353431), wk = 0.0033445 k( 241) = ( 0.1333333 0.2309401 0.2353431), wk = 0.0033445 k( 242) = ( 0.1266667 0.2193931 0.2353431), wk = 0.0033445 k( 243) = ( 0.1200000 0.2078461 0.2353431), wk = 0.0033445 k( 244) = ( 0.1133333 0.1962991 0.2353431), wk = 0.0033445 k( 245) = ( 0.1066667 0.1847521 0.2353431), wk = 0.0033445 k( 246) = ( 0.1000000 0.1732051 0.2353431), wk = 0.0033445 k( 247) = ( 0.0933333 0.1616581 0.2353431), wk = 0.0033445 k( 248) = ( 0.0866667 0.1501111 0.2353431), wk = 0.0033445 k( 249) = ( 0.0800000 0.1385641 0.2353431), wk = 0.0033445 k( 250) = ( 0.0733333 0.1270171 0.2353431), wk = 0.0033445 k( 251) = ( 0.0666667 0.1154701 0.2353431), wk = 0.0033445 k( 252) = ( 0.0600000 0.1039230 0.2353431), wk = 0.0033445 k( 253) = ( 0.0533333 0.0923760 0.2353431), wk = 0.0033445 k( 254) = ( 0.0466667 0.0808290 0.2353431), wk = 0.0033445 k( 255) = ( 0.0400000 0.0692820 0.2353431), wk = 0.0033445 k( 256) = ( 0.0333333 0.0577350 0.2353431), wk = 0.0033445 k( 257) = ( 0.0266667 0.0461880 0.2353431), wk = 0.0033445 k( 258) = ( 0.0200000 0.0346410 0.2353431), wk = 0.0033445 k( 259) = ( 0.0133333 0.0230940 0.2353431), wk = 0.0033445 k( 260) = ( 0.0066667 0.0115470 0.2353431), wk = 0.0033445 k( 261) = ( 0.0000000 0.0000000 0.2353431), wk = 0.0033445 k( 262) = ( 0.5000000 0.2886751 0.2353431), wk = 0.0033445 k( 263) = ( 0.5000000 0.2886751 0.2222685), wk = 0.0033445 k( 264) = ( 0.5000000 0.2886751 0.2091939), wk = 0.0033445 k( 265) = ( 0.5000000 0.2886751 0.1961193), wk = 0.0033445 k( 266) = ( 0.5000000 0.2886751 0.1830446), wk = 0.0033445 k( 267) = ( 0.5000000 0.2886751 0.1699700), wk = 0.0033445 k( 268) = ( 0.5000000 0.2886751 0.1568954), wk = 0.0033445 k( 269) = ( 0.5000000 0.2886751 0.1438208), wk = 0.0033445 k( 270) = ( 0.5000000 0.2886751 0.1307462), wk = 0.0033445 k( 271) = ( 0.5000000 0.2886751 0.1176716), wk = 0.0033445 k( 272) = ( 0.5000000 0.2886751 0.1045969), wk = 0.0033445 k( 273) = ( 0.5000000 0.2886751 0.0915223), wk = 0.0033445 k( 274) = ( 0.5000000 0.2886751 0.0784477), wk = 0.0033445 k( 275) = ( 0.5000000 0.2886751 0.0653731), wk = 0.0033445 k( 276) = ( 0.5000000 0.2886751 0.0522985), wk = 0.0033445 k( 277) = ( 0.5000000 0.2886751 0.0392238), wk = 0.0033445 k( 278) = ( 0.5000000 0.2886751 0.0261492), wk = 0.0033445 k( 279) = ( 0.5000000 0.2886751 0.0130746), wk = 0.0033445 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 282) = ( 0.3333333 0.5773503 0.0130746), wk = 0.0033445 k( 283) = ( 0.3333333 0.5773503 0.0261492), wk = 0.0033445 k( 284) = ( 0.3333333 0.5773503 0.0392238), wk = 0.0033445 k( 285) = ( 0.3333333 0.5773503 0.0522985), wk = 0.0033445 k( 286) = ( 0.3333333 0.5773503 0.0653731), wk = 0.0033445 k( 287) = ( 0.3333333 0.5773503 0.0784477), wk = 0.0033445 k( 288) = ( 0.3333333 0.5773503 0.0915223), wk = 0.0033445 k( 289) = ( 0.3333333 0.5773503 0.1045969), wk = 0.0033445 k( 290) = ( 0.3333333 0.5773503 0.1176716), wk = 0.0033445 k( 291) = ( 0.3333333 0.5773503 0.1307462), wk = 0.0033445 k( 292) = ( 0.3333333 0.5773503 0.1438208), wk = 0.0033445 k( 293) = ( 0.3333333 0.5773503 0.1568954), wk = 0.0033445 k( 294) = ( 0.3333333 0.5773503 0.1699700), wk = 0.0033445 k( 295) = ( 0.3333333 0.5773503 0.1830446), wk = 0.0033445 k( 296) = ( 0.3333333 0.5773503 0.1961193), wk = 0.0033445 k( 297) = ( 0.3333333 0.5773503 0.2091939), wk = 0.0033445 k( 298) = ( 0.3333333 0.5773503 0.2222685), wk = 0.0033445 k( 299) = ( 0.3333333 0.5773503 0.2353431), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0116279 0.0000000 0.0000000), wk = 0.0033445 k( 3) = ( 0.0232558 0.0000000 0.0000000), wk = 0.0033445 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0033445 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0033445 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0033445 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0033445 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0033445 k( 14) = ( 0.1511628 0.0000000 0.0000000), wk = 0.0033445 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0033445 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0033445 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0033445 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2209302 -0.0000000 0.0000000), wk = 0.0033445 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0033445 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0033445 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0033445 k( 25) = ( 0.2790698 0.0000000 0.0000000), wk = 0.0033445 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0033445 k( 27) = ( 0.3023256 0.0000000 0.0000000), wk = 0.0033445 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033445 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3372093 -0.0000000 0.0000000), wk = 0.0033445 k( 31) = ( 0.3488372 0.0000000 0.0000000), wk = 0.0033445 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0033445 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0033445 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0033445 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0033445 k( 36) = ( 0.4069767 -0.0000000 0.0000000), wk = 0.0033445 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0033445 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0033445 k( 39) = ( 0.4418605 0.0000000 0.0000000), wk = 0.0033445 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0033445 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0033445 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0033445 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0033445 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0033445 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0033445 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0033445 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0033445 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0033445 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0033445 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033445 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0033445 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0033445 k( 59) = ( 0.4066667 0.1866667 0.0000000), wk = 0.0033445 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033445 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3866667 0.2266667 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0033445 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033445 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0033445 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033445 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033445 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0033445 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0033445 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0033445 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0033445 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0033445 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033445 k( 77) = ( 0.2933333 0.2933333 0.0000000), wk = 0.0033445 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0033445 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0033445 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0033445 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0033445 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0033445 k( 88) = ( 0.2200000 0.2200000 -0.0000000), wk = 0.0033445 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0033445 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0033445 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033445 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0033445 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0033445 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033445 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0033445 k( 101) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0033445 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0033445 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0033445 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0033445 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0033445 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0033445 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0033445 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0033445 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033445 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0033445 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0033445 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0033445 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0033445 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0033445 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033445 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 142) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0033445 k( 143) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0033445 k( 144) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0033445 k( 145) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0033445 k( 146) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0033445 k( 147) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0033445 k( 148) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0033445 k( 149) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0033445 k( 150) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0033445 k( 151) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0033445 k( 152) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0033445 k( 153) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0033445 k( 154) = ( 0.1511628 0.0000000 0.5000000), wk = 0.0033445 k( 155) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0033445 k( 156) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0033445 k( 157) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0033445 k( 158) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0033445 k( 159) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0033445 k( 160) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0033445 k( 161) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0033445 k( 162) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0033445 k( 163) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0033445 k( 164) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0033445 k( 165) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0033445 k( 166) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0033445 k( 167) = ( 0.3023256 0.0000000 0.5000000), wk = 0.0033445 k( 168) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033445 k( 169) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0033445 k( 170) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0033445 k( 171) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0033445 k( 172) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0033445 k( 173) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0033445 k( 174) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0033445 k( 175) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0033445 k( 176) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0033445 k( 177) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0033445 k( 178) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0033445 k( 179) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0033445 k( 180) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033445 k( 181) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0033445 k( 182) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0033445 k( 183) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0033445 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 186) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033445 k( 187) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033445 k( 188) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033445 k( 189) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033445 k( 190) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033445 k( 191) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033445 k( 192) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033445 k( 193) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033445 k( 194) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033445 k( 195) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033445 k( 196) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033445 k( 197) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033445 k( 198) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033445 k( 199) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033445 k( 200) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033445 k( 201) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033445 k( 202) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033445 k( 203) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033445 k( 204) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033445 k( 205) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033445 k( 206) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033445 k( 207) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033445 k( 208) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033445 k( 209) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033445 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 212) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033445 k( 213) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033445 k( 214) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033445 k( 215) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033445 k( 216) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033445 k( 217) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033445 k( 218) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033445 k( 219) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033445 k( 220) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033445 k( 221) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033445 k( 222) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033445 k( 223) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033445 k( 224) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033445 k( 225) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033445 k( 226) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033445 k( 227) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033445 k( 228) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033445 k( 229) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033445 k( 230) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033445 k( 231) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033445 k( 232) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033445 k( 233) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033445 k( 234) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033445 k( 235) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033445 k( 236) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033445 k( 237) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033445 k( 238) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033445 k( 239) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033445 k( 240) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033445 k( 241) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033445 k( 242) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033445 k( 243) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033445 k( 244) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033445 k( 245) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033445 k( 246) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033445 k( 247) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033445 k( 248) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033445 k( 249) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033445 k( 250) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033445 k( 251) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033445 k( 252) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033445 k( 253) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033445 k( 254) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033445 k( 255) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033445 k( 256) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033445 k( 257) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033445 k( 258) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033445 k( 259) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033445 k( 260) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033445 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 263) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033445 k( 264) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033445 k( 265) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033445 k( 266) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033445 k( 267) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033445 k( 268) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033445 k( 269) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033445 k( 270) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033445 k( 271) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033445 k( 272) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033445 k( 273) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033445 k( 274) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033445 k( 275) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033445 k( 276) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033445 k( 277) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033445 k( 278) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033445 k( 279) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033445 k( 280) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 281) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033445 k( 282) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033445 k( 283) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033445 k( 284) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033445 k( 285) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033445 k( 286) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033445 k( 287) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033445 k( 288) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033445 k( 289) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033445 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445 k( 291) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033445 k( 292) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033445 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033445 k( 294) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033445 k( 295) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033445 k( 296) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033445 k( 297) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033445 k( 298) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033445 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 Dense grid: 58217 G-vectors FFT dimensions: ( 40, 40, 90) Smooth grid: 39913 G-vectors FFT dimensions: ( 36, 36, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 312, 62) NL pseudopotentials 0.49 Mb ( 156, 206) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.01 Mb ( 1621) G-vector shells 0.01 Mb ( 752) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 312, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 206, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaCuP.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.1 secs Computing kpt #: 3 total cpu time spent up to now is 4.7 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.1 secs Computing kpt #: 6 total cpu time spent up to now is 6.8 secs Computing kpt #: 7 total cpu time spent up to now is 7.5 secs Computing kpt #: 8 total cpu time spent up to now is 8.1 secs Computing kpt #: 9 total cpu time spent up to now is 8.8 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.8 secs Computing kpt #: 13 total cpu time spent up to now is 11.5 secs Computing kpt #: 14 total cpu time spent up to now is 12.2 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.5 secs Computing kpt #: 21 total cpu time spent up to now is 17.2 secs Computing kpt #: 22 total cpu time spent up to now is 17.9 secs Computing kpt #: 23 total cpu time spent up to now is 18.5 secs Computing kpt #: 24 total cpu time spent up to now is 19.1 secs Computing kpt #: 25 total cpu time spent up to now is 19.7 secs Computing kpt #: 26 total cpu time spent up to now is 20.4 secs Computing kpt #: 27 total cpu time spent up to now is 21.0 secs Computing kpt #: 28 total cpu time spent up to now is 21.7 secs Computing kpt #: 29 total cpu time spent up to now is 22.3 secs Computing kpt #: 30 total cpu time spent up to now is 23.0 secs Computing kpt #: 31 total cpu time spent up to now is 23.6 secs Computing kpt #: 32 total cpu time spent up to now is 24.3 secs Computing kpt #: 33 total cpu time spent up to now is 25.0 secs Computing kpt #: 34 total cpu time spent up to now is 25.6 secs Computing kpt #: 35 total cpu time spent up to now is 26.3 secs Computing kpt #: 36 total cpu time spent up to now is 26.9 secs Computing kpt #: 37 total cpu time spent up to now is 27.6 secs Computing kpt #: 38 total cpu time spent up to now is 28.2 secs Computing kpt #: 39 total cpu time spent up to now is 28.8 secs Computing kpt #: 40 total cpu time spent up to now is 29.4 secs Computing kpt #: 41 total cpu time spent up to now is 30.0 secs Computing kpt #: 42 total cpu time spent up to now is 30.6 secs Computing kpt #: 43 total cpu time spent up to now is 31.2 secs Computing kpt #: 44 total cpu time spent up to now is 31.8 secs Computing kpt #: 45 total cpu time spent up to now is 32.4 secs Computing kpt #: 46 total cpu time spent up to now is 33.0 secs Computing kpt #: 47 total cpu time spent up to now is 33.6 secs Computing kpt #: 48 total cpu time spent up to now is 34.2 secs Computing kpt #: 49 total cpu time spent up to now is 34.8 secs Computing kpt #: 50 total cpu time spent up to now is 35.4 secs Computing kpt #: 51 total cpu time spent up to now is 36.0 secs Computing kpt #: 52 total cpu time spent up to now is 36.6 secs Computing kpt #: 53 total cpu time spent up to now is 37.2 secs Computing kpt #: 54 total cpu time spent up to now is 37.8 secs Computing kpt #: 55 total cpu time spent up to now is 38.4 secs Computing kpt #: 56 total cpu time spent up to now is 39.1 secs Computing kpt #: 57 total cpu time spent up to now is 39.7 secs Computing kpt #: 58 total cpu time spent up to now is 40.3 secs Computing kpt #: 59 total cpu time spent up to now is 40.9 secs Computing kpt #: 60 total cpu time spent up to now is 41.6 secs Computing kpt #: 61 total cpu time spent up to now is 42.2 secs Computing kpt #: 62 total cpu time spent up to now is 42.8 secs Computing kpt #: 63 total cpu time spent up to now is 43.5 secs Computing kpt #: 64 total cpu time spent up to now is 44.1 secs Computing kpt #: 65 total cpu time spent up to now is 44.7 secs Computing kpt #: 66 total cpu time spent up to now is 45.3 secs Computing kpt #: 67 total cpu time spent up to now is 45.9 secs Computing kpt #: 68 total cpu time spent up to now is 46.5 secs Computing kpt #: 69 total cpu time spent up to now is 47.2 secs Computing kpt #: 70 total cpu time spent up to now is 47.8 secs Computing kpt #: 71 total cpu time spent up to now is 48.4 secs Computing kpt #: 72 total cpu time spent up to now is 49.0 secs Computing kpt #: 73 total cpu time spent up to now is 49.6 secs Computing kpt #: 74 total cpu time spent up to now is 50.3 secs Computing kpt #: 75 total cpu time spent up to now is 50.9 secs Computing kpt #: 76 total cpu time spent up to now is 51.5 secs Computing kpt #: 77 total cpu time spent up to now is 52.1 secs Computing kpt #: 78 total cpu time spent up to now is 52.7 secs Computing kpt #: 79 total cpu time spent up to now is 53.3 secs Computing kpt #: 80 total cpu time spent up to now is 53.9 secs Computing kpt #: 81 total cpu time spent up to now is 54.5 secs Computing kpt #: 82 total cpu time spent up to now is 55.1 secs Computing kpt #: 83 total cpu time spent up to now is 55.7 secs Computing kpt #: 84 total cpu time spent up to now is 56.3 secs Computing kpt #: 85 total cpu time spent up to now is 56.9 secs Computing kpt #: 86 total cpu time spent up to now is 57.5 secs Computing kpt #: 87 total cpu time spent up to now is 58.2 secs Computing kpt #: 88 total cpu time spent up to now is 58.7 secs Computing kpt #: 89 total cpu time spent up to now is 59.3 secs Computing kpt #: 90 total cpu time spent up to now is 60.0 secs Computing kpt #: 91 total cpu time spent up to now is 60.6 secs Computing kpt #: 92 total cpu time spent up to now is 61.2 secs Computing kpt #: 93 total cpu time spent up to now is 61.8 secs Computing kpt #: 94 total cpu time spent up to now is 62.3 secs Computing kpt #: 95 total cpu time spent up to now is 63.0 secs Computing kpt #: 96 total cpu time spent up to now is 63.6 secs Computing kpt #: 97 total cpu time spent up to now is 64.2 secs Computing kpt #: 98 total cpu time spent up to now is 64.8 secs Computing kpt #: 99 total cpu time spent up to now is 65.5 secs Computing kpt #: 100 total cpu time spent up to now is 66.1 secs Computing kpt #: 101 total cpu time spent up to now is 66.7 secs Computing kpt #: 102 total cpu time spent up to now is 67.4 secs Computing kpt #: 103 total cpu time spent up to now is 68.1 secs Computing kpt #: 104 total cpu time spent up to now is 68.8 secs Computing kpt #: 105 total cpu time spent up to now is 69.5 secs Computing kpt #: 106 total cpu time spent up to now is 70.2 secs Computing kpt #: 107 total cpu time spent up to now is 70.9 secs Computing kpt #: 108 total cpu time spent up to now is 71.6 secs Computing kpt #: 109 total cpu time spent up to now is 72.3 secs Computing kpt #: 110 total cpu time spent up to now is 73.1 secs Computing kpt #: 111 total cpu time spent up to now is 73.9 secs Computing kpt #: 112 total cpu time spent up to now is 74.6 secs Computing kpt #: 113 total cpu time spent up to now is 75.2 secs Computing kpt #: 114 total cpu time spent up to now is 75.9 secs Computing kpt #: 115 total cpu time spent up to now is 76.6 secs Computing kpt #: 116 total cpu time spent up to now is 77.3 secs Computing kpt #: 117 total cpu time spent up to now is 78.0 secs Computing kpt #: 118 total cpu time spent up to now is 78.6 secs Computing kpt #: 119 total cpu time spent up to now is 79.3 secs Computing kpt #: 120 total cpu time spent up to now is 79.9 secs Computing kpt #: 121 total cpu time spent up to now is 80.6 secs Computing kpt #: 122 total cpu time spent up to now is 81.2 secs Computing kpt #: 123 total cpu time spent up to now is 81.9 secs Computing kpt #: 124 total cpu time spent up to now is 82.5 secs Computing kpt #: 125 total cpu time spent up to now is 83.2 secs Computing kpt #: 126 total cpu time spent up to now is 83.9 secs Computing kpt #: 127 total cpu time spent up to now is 84.5 secs Computing kpt #: 128 total cpu time spent up to now is 85.2 secs Computing kpt #: 129 total cpu time spent up to now is 85.8 secs Computing kpt #: 130 total cpu time spent up to now is 86.5 secs Computing kpt #: 131 total cpu time spent up to now is 87.2 secs Computing kpt #: 132 total cpu time spent up to now is 87.9 secs Computing kpt #: 133 total cpu time spent up to now is 88.6 secs Computing kpt #: 134 total cpu time spent up to now is 89.3 secs Computing kpt #: 135 total cpu time spent up to now is 90.0 secs Computing kpt #: 136 total cpu time spent up to now is 90.7 secs Computing kpt #: 137 total cpu time spent up to now is 91.4 secs Computing kpt #: 138 total cpu time spent up to now is 92.0 secs Computing kpt #: 139 total cpu time spent up to now is 92.7 secs Computing kpt #: 140 total cpu time spent up to now is 93.4 secs Computing kpt #: 141 total cpu time spent up to now is 94.1 secs Computing kpt #: 142 total cpu time spent up to now is 94.8 secs Computing kpt #: 143 total cpu time spent up to now is 95.5 secs Computing kpt #: 144 total cpu time spent up to now is 96.2 secs Computing kpt #: 145 total cpu time spent up to now is 96.9 secs Computing kpt #: 146 total cpu time spent up to now is 97.5 secs Computing kpt #: 147 total cpu time spent up to now is 98.2 secs Computing kpt #: 148 total cpu time spent up to now is 98.9 secs Computing kpt #: 149 total cpu time spent up to now is 99.5 secs Computing kpt #: 150 total cpu time spent up to now is 100.2 secs Computing kpt #: 151 total cpu time spent up to now is 100.9 secs Computing kpt #: 152 total cpu time spent up to now is 101.5 secs Computing kpt #: 153 total cpu time spent up to now is 102.1 secs Computing kpt #: 154 total cpu time spent up to now is 102.8 secs Computing kpt #: 155 total cpu time spent up to now is 103.4 secs Computing kpt #: 156 total cpu time spent up to now is 104.1 secs Computing kpt #: 157 total cpu time spent up to now is 104.7 secs Computing kpt #: 158 total cpu time spent up to now is 105.3 secs Computing kpt #: 159 total cpu time spent up to now is 106.0 secs Computing kpt #: 160 total cpu time spent up to now is 106.6 secs Computing kpt #: 161 total cpu time spent up to now is 107.3 secs Computing kpt #: 162 total cpu time spent up to now is 108.0 secs Computing kpt #: 163 total cpu time spent up to now is 109.3 secs Computing kpt #: 164 total cpu time spent up to now is 110.0 secs Computing kpt #: 165 total cpu time spent up to now is 110.7 secs Computing kpt #: 166 total cpu time spent up to now is 111.4 secs Computing kpt #: 167 total cpu time spent up to now is 112.1 secs Computing kpt #: 168 total cpu time spent up to now is 112.8 secs Computing kpt #: 169 total cpu time spent up to now is 113.6 secs Computing kpt #: 170 total cpu time spent up to now is 114.3 secs Computing kpt #: 171 total cpu time spent up to now is 115.1 secs Computing kpt #: 172 total cpu time spent up to now is 115.9 secs Computing kpt #: 173 total cpu time spent up to now is 116.7 secs Computing kpt #: 174 total cpu time spent up to now is 117.5 secs Computing kpt #: 175 total cpu time spent up to now is 118.3 secs Computing kpt #: 176 total cpu time spent up to now is 119.1 secs Computing kpt #: 177 total cpu time spent up to now is 120.0 secs Computing kpt #: 178 total cpu time spent up to now is 120.9 secs Computing kpt #: 179 total cpu time spent up to now is 122.0 secs Computing kpt #: 180 total cpu time spent up to now is 123.0 secs Computing kpt #: 181 total cpu time spent up to now is 124.0 secs Computing kpt #: 182 total cpu time spent up to now is 124.9 secs Computing kpt #: 183 total cpu time spent up to now is 125.9 secs Computing kpt #: 184 total cpu time spent up to now is 126.8 secs Computing kpt #: 185 total cpu time spent up to now is 127.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 129.6 secs Computing kpt #: 187 total cpu time spent up to now is 130.5 secs Computing kpt #: 188 total cpu time spent up to now is 131.3 secs Computing kpt #: 189 total cpu time spent up to now is 132.1 secs Computing kpt #: 190 total cpu time spent up to now is 132.9 secs Computing kpt #: 191 total cpu time spent up to now is 133.7 secs Computing kpt #: 192 total cpu time spent up to now is 134.5 secs Computing kpt #: 193 total cpu time spent up to now is 135.4 secs Computing kpt #: 194 total cpu time spent up to now is 136.1 secs Computing kpt #: 195 total cpu time spent up to now is 136.9 secs Computing kpt #: 196 total cpu time spent up to now is 137.7 secs Computing kpt #: 197 total cpu time spent up to now is 138.5 secs Computing kpt #: 198 total cpu time spent up to now is 139.3 secs Computing kpt #: 199 total cpu time spent up to now is 140.1 secs Computing kpt #: 200 total cpu time spent up to now is 140.9 secs Computing kpt #: 201 total cpu time spent up to now is 141.7 secs Computing kpt #: 202 total cpu time spent up to now is 142.6 secs Computing kpt #: 203 total cpu time spent up to now is 143.4 secs Computing kpt #: 204 total cpu time spent up to now is 144.1 secs Computing kpt #: 205 total cpu time spent up to now is 144.9 secs Computing kpt #: 206 total cpu time spent up to now is 145.7 secs Computing kpt #: 207 total cpu time spent up to now is 146.5 secs Computing kpt #: 208 total cpu time spent up to now is 147.3 secs Computing kpt #: 209 total cpu time spent up to now is 148.1 secs Computing kpt #: 210 total cpu time spent up to now is 148.9 secs Computing kpt #: 211 total cpu time spent up to now is 149.7 secs Computing kpt #: 212 total cpu time spent up to now is 150.5 secs Computing kpt #: 213 total cpu time spent up to now is 151.2 secs Computing kpt #: 214 total cpu time spent up to now is 152.0 secs Computing kpt #: 215 total cpu time spent up to now is 152.8 secs Computing kpt #: 216 total cpu time spent up to now is 153.5 secs Computing kpt #: 217 total cpu time spent up to now is 154.3 secs Computing kpt #: 218 total cpu time spent up to now is 155.0 secs Computing kpt #: 219 total cpu time spent up to now is 155.7 secs Computing kpt #: 220 total cpu time spent up to now is 156.4 secs Computing kpt #: 221 total cpu time spent up to now is 157.1 secs Computing kpt #: 222 total cpu time spent up to now is 157.8 secs Computing kpt #: 223 total cpu time spent up to now is 158.5 secs Computing kpt #: 224 total cpu time spent up to now is 159.2 secs Computing kpt #: 225 total cpu time spent up to now is 160.0 secs Computing kpt #: 226 total cpu time spent up to now is 160.7 secs Computing kpt #: 227 total cpu time spent up to now is 161.4 secs Computing kpt #: 228 total cpu time spent up to now is 162.1 secs Computing kpt #: 229 total cpu time spent up to now is 162.8 secs Computing kpt #: 230 total cpu time spent up to now is 163.5 secs Computing kpt #: 231 total cpu time spent up to now is 164.2 secs Computing kpt #: 232 total cpu time spent up to now is 164.9 secs Computing kpt #: 233 total cpu time spent up to now is 165.6 secs Computing kpt #: 234 total cpu time spent up to now is 166.2 secs Computing kpt #: 235 total cpu time spent up to now is 167.0 secs Computing kpt #: 236 total cpu time spent up to now is 167.9 secs Computing kpt #: 237 total cpu time spent up to now is 168.7 secs Computing kpt #: 238 total cpu time spent up to now is 169.4 secs Computing kpt #: 239 total cpu time spent up to now is 170.1 secs Computing kpt #: 240 total cpu time spent up to now is 170.8 secs Computing kpt #: 241 total cpu time spent up to now is 171.5 secs Computing kpt #: 242 total cpu time spent up to now is 172.3 secs Computing kpt #: 243 total cpu time spent up to now is 172.9 secs Computing kpt #: 244 total cpu time spent up to now is 173.6 secs Computing kpt #: 245 total cpu time spent up to now is 174.3 secs Computing kpt #: 246 total cpu time spent up to now is 174.9 secs Computing kpt #: 247 total cpu time spent up to now is 175.6 secs Computing kpt #: 248 total cpu time spent up to now is 176.3 secs Computing kpt #: 249 total cpu time spent up to now is 176.9 secs Computing kpt #: 250 total cpu time spent up to now is 177.6 secs Computing kpt #: 251 total cpu time spent up to now is 178.2 secs Computing kpt #: 252 total cpu time spent up to now is 178.9 secs Computing kpt #: 253 total cpu time spent up to now is 179.5 secs Computing kpt #: 254 total cpu time spent up to now is 180.2 secs Computing kpt #: 255 total cpu time spent up to now is 180.9 secs Computing kpt #: 256 total cpu time spent up to now is 181.6 secs Computing kpt #: 257 total cpu time spent up to now is 182.3 secs Computing kpt #: 258 total cpu time spent up to now is 183.0 secs Computing kpt #: 259 total cpu time spent up to now is 183.7 secs Computing kpt #: 260 total cpu time spent up to now is 184.5 secs Computing kpt #: 261 total cpu time spent up to now is 185.2 secs Computing kpt #: 262 total cpu time spent up to now is 186.0 secs Computing kpt #: 263 total cpu time spent up to now is 186.9 secs Computing kpt #: 264 total cpu time spent up to now is 187.6 secs Computing kpt #: 265 total cpu time spent up to now is 188.4 secs Computing kpt #: 266 total cpu time spent up to now is 189.1 secs Computing kpt #: 267 total cpu time spent up to now is 189.7 secs Computing kpt #: 268 total cpu time spent up to now is 190.5 secs Computing kpt #: 269 total cpu time spent up to now is 191.3 secs Computing kpt #: 270 total cpu time spent up to now is 192.0 secs Computing kpt #: 271 total cpu time spent up to now is 192.8 secs Computing kpt #: 272 total cpu time spent up to now is 193.6 secs Computing kpt #: 273 total cpu time spent up to now is 194.3 secs Computing kpt #: 274 total cpu time spent up to now is 195.0 secs Computing kpt #: 275 total cpu time spent up to now is 195.7 secs Computing kpt #: 276 total cpu time spent up to now is 196.3 secs Computing kpt #: 277 total cpu time spent up to now is 196.9 secs Computing kpt #: 278 total cpu time spent up to now is 197.5 secs Computing kpt #: 279 total cpu time spent up to now is 198.1 secs Computing kpt #: 280 total cpu time spent up to now is 198.6 secs Computing kpt #: 281 total cpu time spent up to now is 199.3 secs Computing kpt #: 282 total cpu time spent up to now is 199.9 secs Computing kpt #: 283 total cpu time spent up to now is 200.5 secs Computing kpt #: 284 total cpu time spent up to now is 201.1 secs Computing kpt #: 285 total cpu time spent up to now is 201.7 secs Computing kpt #: 286 total cpu time spent up to now is 202.3 secs Computing kpt #: 287 total cpu time spent up to now is 203.0 secs Computing kpt #: 288 total cpu time spent up to now is 203.6 secs Computing kpt #: 289 total cpu time spent up to now is 204.2 secs Computing kpt #: 290 total cpu time spent up to now is 204.8 secs Computing kpt #: 291 total cpu time spent up to now is 205.4 secs Computing kpt #: 292 total cpu time spent up to now is 206.0 secs Computing kpt #: 293 total cpu time spent up to now is 206.7 secs Computing kpt #: 294 total cpu time spent up to now is 207.4 secs Computing kpt #: 295 total cpu time spent up to now is 208.2 secs Computing kpt #: 296 total cpu time spent up to now is 209.0 secs Computing kpt #: 297 total cpu time spent up to now is 209.8 secs Computing kpt #: 298 total cpu time spent up to now is 210.5 secs Computing kpt #: 299 total cpu time spent up to now is 211.3 secs ethr = 1.92E-08, avg # of iterations = 19.3 total cpu time spent up to now is 211.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -18.0272 -18.0272 -18.0079 -18.0079 -4.8060 -4.8060 -4.5716 -4.5716 -3.1631 -3.1631 -2.6132 -2.6132 -2.4644 -2.4644 -2.4220 -2.4220 -0.8649 -0.8649 0.4013 0.4013 5.6689 5.6689 5.7932 5.7932 5.8662 5.8662 5.9948 5.9948 6.0742 6.0742 6.4188 6.4188 6.6480 6.6480 6.6916 6.6916 6.7312 6.7312 6.8688 6.8688 6.9325 6.9325 8.4034 8.4034 9.2175 9.2175 9.2809 9.2809 9.8297 9.8297 9.8633 9.8633 10.2369 10.2369 10.7654 10.7654 11.1096 11.1096 11.7711 11.7711 11.7866 11.7866 k = 0.0116 0.0067-0.0000 ( 4981 PWs) bands (ev): -18.0271 -18.0271 -18.0079 -18.0079 -4.8059 -4.8059 -4.5719 -4.5719 -3.1631 -3.1631 -2.6135 -2.6135 -2.4656 -2.4656 -2.4227 -2.4227 -0.8629 -0.8629 0.4007 0.4007 5.6691 5.6691 5.7931 5.7931 5.8661 5.8661 5.9943 5.9943 6.0754 6.0754 6.4192 6.4192 6.6483 6.6483 6.6916 6.6916 6.7311 6.7311 6.8692 6.8692 6.9326 6.9326 8.4021 8.4021 9.2121 9.2121 9.2761 9.2761 9.8138 9.8138 9.8512 9.8512 10.2390 10.2390 10.7835 10.7835 11.1163 11.1163 11.7796 11.7796 11.7955 11.7955 k = 0.0233 0.0134-0.0000 ( 4985 PWs) bands (ev): -18.0269 -18.0269 -18.0076 -18.0076 -4.8057 -4.8057 -4.5728 -4.5728 -3.1629 -3.1629 -2.6144 -2.6144 -2.4692 -2.4692 -2.4248 -2.4248 -0.8569 -0.8569 0.3987 0.3987 5.6701 5.6701 5.7931 5.7931 5.8658 5.8658 5.9930 5.9930 6.0791 6.0791 6.4204 6.4204 6.6493 6.6493 6.6919 6.6919 6.7310 6.7310 6.8708 6.8708 6.9329 6.9329 8.3982 8.3982 9.1930 9.1930 9.2653 9.2653 9.7595 9.7595 9.8275 9.8275 10.2449 10.2449 10.8326 10.8326 11.1360 11.1360 11.8031 11.8031 11.8243 11.8243 k = 0.0349 0.0201-0.0000 ( 4989 PWs) bands (ev): -18.0265 -18.0265 -18.0073 -18.0073 -4.8054 -4.8054 -4.5744 -4.5744 -3.1627 -3.1627 -2.6159 -2.6159 -2.4750 -2.4750 -2.4282 -2.4282 -0.8470 -0.8470 0.3955 0.3955 5.6717 5.6717 5.7931 5.7931 5.8651 5.8651 5.9912 5.9912 6.0850 6.0850 6.4224 6.4224 6.6510 6.6510 6.6923 6.6923 6.7309 6.7309 6.8734 6.8734 6.9336 6.9336 8.3918 8.3918 9.1560 9.1560 9.2545 9.2545 9.6740 9.6740 9.7967 9.7967 10.2539 10.2539 10.9000 10.9000 11.1690 11.1690 11.8382 11.8382 11.8753 11.8753 k = 0.0465 0.0269-0.0000 ( 4993 PWs) bands (ev): -18.0259 -18.0259 -18.0067 -18.0067 -4.8049 -4.8049 -4.5766 -4.5766 -3.1623 -3.1623 -2.6182 -2.6182 -2.4828 -2.4828 -2.4330 -2.4330 -0.8334 -0.8334 0.3910 0.3910 5.6739 5.6739 5.7930 5.7930 5.8639 5.8639 5.9890 5.9890 6.0931 6.0931 6.4252 6.4252 6.6533 6.6533 6.6928 6.6928 6.7309 6.7309 6.8769 6.8769 6.9349 6.9349 8.3830 8.3830 9.1016 9.1016 9.2452 9.2452 9.5705 9.5705 9.7573 9.7573 10.2656 10.2656 10.9716 10.9716 11.2176 11.2176 11.8838 11.8838 11.9468 11.9468 k = 0.0581 0.0336-0.0000 ( 4993 PWs) bands (ev): -18.0252 -18.0252 -18.0060 -18.0060 -4.8043 -4.8043 -4.5794 -4.5794 -3.1618 -3.1618 -2.6214 -2.6214 -2.4922 -2.4922 -2.4391 -2.4391 -0.8162 -0.8162 0.3852 0.3852 5.6765 5.6765 5.7927 5.7927 5.8618 5.8618 5.9870 5.9870 6.1030 6.1030 6.4287 6.4287 6.6562 6.6562 6.6935 6.6935 6.7309 6.7309 6.8813 6.8813 6.9371 6.9371 8.3720 8.3720 9.0334 9.0334 9.2361 9.2361 9.4573 9.4573 9.7099 9.7099 10.2799 10.2799 11.0344 11.0344 11.2864 11.2864 11.9386 11.9386 12.0277 12.0277 k = 0.0698 0.0403-0.0000 ( 4995 PWs) bands (ev): -18.0243 -18.0243 -18.0052 -18.0052 -4.8036 -4.8036 -4.5828 -4.5828 -3.1612 -3.1612 -2.6257 -2.6257 -2.5028 -2.5028 -2.4464 -2.4464 -0.7957 -0.7957 0.3782 0.3782 5.6796 5.6796 5.7919 5.7919 5.8587 5.8587 5.9857 5.9857 6.1144 6.1144 6.4328 6.4328 6.6595 6.6595 6.6941 6.6941 6.7310 6.7310 6.8862 6.8862 6.9407 6.9407 8.3591 8.3591 8.9545 8.9545 9.2259 9.2259 9.3398 9.3398 9.6555 9.6555 10.2967 10.2967 11.0819 11.0819 11.3765 11.3765 11.9862 11.9862 12.0162 12.0162 k = 0.0814 0.0470-0.0000 ( 4999 PWs) bands (ev): -18.0232 -18.0232 -18.0042 -18.0042 -4.8029 -4.8029 -4.5868 -4.5868 -3.1604 -3.1604 -2.6316 -2.6316 -2.5139 -2.5139 -2.4549 -2.4549 -0.7720 -0.7720 0.3701 0.3701 5.6829 5.6829 5.7902 5.7902 5.8546 5.8546 5.9856 5.9856 6.1270 6.1270 6.4376 6.4376 6.6630 6.6630 6.6947 6.6947 6.7313 6.7313 6.8910 6.8910 6.9469 6.9469 8.3444 8.3444 8.8673 8.8673 9.2041 9.2041 9.2316 9.2316 9.5954 9.5954 10.3159 10.3159 11.1162 11.1162 11.4830 11.4830 11.9368 11.9368 12.0779 12.0779 k = 0.0930 0.0537-0.0000 ( 4999 PWs) bands (ev): -18.0220 -18.0220 -18.0031 -18.0031 -4.8021 -4.8021 -4.5914 -4.5914 -3.1595 -3.1595 -2.6392 -2.6392 -2.5251 -2.5251 -2.4644 -2.4644 -0.7455 -0.7455 0.3609 0.3609 5.6862 5.6862 5.7868 5.7868 5.8500 5.8500 5.9871 5.9871 6.1404 6.1404 6.4428 6.4428 6.6666 6.6666 6.6952 6.6952 6.7319 6.7319 6.8951 6.8951 6.9565 6.9565 8.3284 8.3284 8.7734 8.7734 9.0984 9.0984 9.2070 9.2070 9.5307 9.5307 10.3370 10.3370 11.1418 11.1418 11.5996 11.5996 11.8712 11.8712 12.1545 12.1545 k = 0.1047 0.0604-0.0000 ( 5001 PWs) bands (ev): -18.0207 -18.0207 -18.0019 -18.0019 -4.8013 -4.8013 -4.5966 -4.5966 -3.1584 -3.1584 -2.6490 -2.6490 -2.5357 -2.5357 -2.4749 -2.4749 -0.7165 -0.7165 0.3506 0.3506 5.6895 5.6895 5.7806 5.7806 5.8461 5.8461 5.9903 5.9903 6.1541 6.1541 6.4483 6.4483 6.6701 6.6701 6.6953 6.6953 6.7330 6.7330 6.8980 6.8980 6.9705 6.9705 8.3113 8.3113 8.6741 8.6741 8.9836 8.9836 9.1927 9.1927 9.4625 9.4625 10.3597 10.3597 11.1622 11.1622 11.7203 11.7203 11.8012 11.8012 12.2361 12.2361 k = 0.1163 0.0671-0.0000 ( 4997 PWs) bands (ev): -18.0193 -18.0193 -18.0005 -18.0005 -4.8005 -4.8005 -4.6024 -4.6024 -3.1570 -3.1570 -2.6613 -2.6613 -2.5451 -2.5451 -2.4863 -2.4863 -0.6851 -0.6851 0.3394 0.3394 5.6922 5.6922 5.7705 5.7705 5.8439 5.8439 5.9954 5.9954 6.1678 6.1678 6.4541 6.4541 6.6732 6.6732 6.6953 6.6953 6.7345 6.7345 6.8996 6.8996 6.9893 6.9893 8.2933 8.2933 8.5708 8.5708 8.8718 8.8718 9.1772 9.1772 9.3918 9.3918 10.3834 10.3834 11.1796 11.1796 11.7219 11.7219 11.8481 11.8481 12.3213 12.3213 k = 0.1279 0.0738-0.0000 ( 5001 PWs) bands (ev): -18.0177 -18.0177 -17.9990 -17.9990 -4.7997 -4.7997 -4.6087 -4.6087 -3.1555 -3.1555 -2.6760 -2.6760 -2.5531 -2.5531 -2.4985 -2.4985 -0.6518 -0.6518 0.3273 0.3273 5.6940 5.6940 5.7564 5.7564 5.8443 5.8443 6.0020 6.0020 6.1809 6.1809 6.4601 6.4601 6.6756 6.6756 6.6952 6.6952 6.7365 6.7365 6.9001 6.9001 7.0131 7.0131 8.2748 8.2748 8.4650 8.4650 8.7642 8.7642 9.1599 9.1599 9.3194 9.3194 10.4075 10.4075 11.1957 11.1957 11.6442 11.6442 11.9705 11.9705 12.4081 12.4081 k = 0.1395 0.0806-0.0000 ( 5005 PWs) bands (ev): -18.0160 -18.0160 -17.9974 -17.9974 -4.7991 -4.7991 -4.6155 -4.6155 -3.1537 -3.1537 -2.6930 -2.6930 -2.5597 -2.5597 -2.5113 -2.5113 -0.6167 -0.6167 0.3143 0.3143 5.6937 5.6937 5.7395 5.7395 5.8474 5.8474 6.0103 6.0103 6.1932 6.1932 6.4661 6.4661 6.6768 6.6768 6.6952 6.6952 6.7389 6.7389 6.8998 6.8998 7.0417 7.0417 8.2558 8.2558 8.3582 8.3582 8.6606 8.6606 9.1401 9.1401 9.2465 9.2465 10.4311 10.4311 11.2118 11.2118 11.5637 11.5637 12.0893 12.0893 12.4917 12.4917 k = 0.1512 0.0873-0.0000 ( 4997 PWs) bands (ev): -18.0142 -18.0142 -17.9957 -17.9957 -4.7985 -4.7985 -4.6228 -4.6228 -3.1517 -3.1517 -2.7118 -2.7118 -2.5650 -2.5650 -2.5246 -2.5246 -0.5801 -0.5801 0.3007 0.3007 5.6879 5.6879 5.7235 5.7235 5.8528 5.8528 6.0199 6.0199 6.2043 6.2043 6.4720 6.4720 6.6767 6.6767 6.6957 6.6957 6.7417 6.7417 6.8989 6.8989 7.0752 7.0752 8.2309 8.2309 8.2575 8.2575 8.5609 8.5609 9.1153 9.1153 9.1761 9.1761 10.4531 10.4531 11.2289 11.2289 11.4819 11.4819 12.2007 12.2007 12.5597 12.5597 k = 0.1628 0.0940-0.0000 ( 4999 PWs) bands (ev): -18.0123 -18.0123 -17.9939 -17.9939 -4.7981 -4.7981 -4.6306 -4.6306 -3.1494 -3.1494 -2.7319 -2.7319 -2.5693 -2.5693 -2.5384 -2.5384 -0.5424 -0.5424 0.2865 0.2865 5.6711 5.6711 5.7141 5.7141 5.8601 5.8601 6.0308 6.0308 6.2138 6.2138 6.4777 6.4777 6.6752 6.6752 6.6968 6.6968 6.7446 6.7446 6.8976 6.8976 7.1135 7.1135 8.1414 8.1414 8.2232 8.2232 8.4648 8.4648 9.0730 9.0730 9.1212 9.1212 10.4726 10.4726 11.2481 11.2481 11.3995 11.3995 12.3008 12.3008 12.6203 12.6203 k = 0.1744 0.1007-0.0000 ( 4999 PWs) bands (ev): -18.0103 -18.0103 -17.9920 -17.9920 -4.7978 -4.7978 -4.6388 -4.6388 -3.1469 -3.1469 -2.7531 -2.7531 -2.5728 -2.5728 -2.5524 -2.5524 -0.5037 -0.5037 0.2718 0.2718 5.6449 5.6449 5.7100 5.7100 5.8693 5.8693 6.0427 6.0427 6.2217 6.2217 6.4831 6.4831 6.6725 6.6725 6.6984 6.6984 6.7475 6.7475 6.8960 6.8960 7.1562 7.1562 8.0389 8.0389 8.2052 8.2052 8.3720 8.3720 9.0065 9.0065 9.0887 9.0887 10.4882 10.4882 11.2694 11.2694 11.3179 11.3179 12.3866 12.3866 12.6825 12.6825 k = 0.1860 0.1074-0.0000 ( 4995 PWs) bands (ev): -18.0082 -18.0082 -17.9901 -17.9901 -4.7977 -4.7977 -4.6475 -4.6475 -3.1441 -3.1441 -2.7748 -2.7748 -2.5758 -2.5758 -2.5664 -2.5664 -0.4645 -0.4645 0.2569 0.2569 5.6137 5.6137 5.7071 5.7071 5.8801 5.8801 6.0555 6.0555 6.2278 6.2278 6.4881 6.4881 6.6690 6.6690 6.7003 6.7003 6.7503 6.7503 6.8942 6.8942 7.2031 7.2031 7.9394 7.9394 8.1887 8.1887 8.2821 8.2821 8.9333 8.9333 9.0616 9.0616 10.4990 10.4990 11.2316 11.2316 11.3001 11.3001 12.4564 12.4564 12.7472 12.7472 k = 0.1977 0.1141-0.0000 ( 5003 PWs) bands (ev): -18.0060 -18.0060 -17.9881 -17.9881 -4.7979 -4.7979 -4.6565 -4.6565 -3.1411 -3.1411 -2.7969 -2.7969 -2.5822 -2.5822 -2.5765 -2.5765 -0.4249 -0.4249 0.2419 0.2419 5.5789 5.5789 5.7041 5.7041 5.8925 5.8925 6.0691 6.0691 6.2320 6.2320 6.4926 6.4926 6.6649 6.6649 6.7022 6.7022 6.7530 6.7530 6.8923 6.8923 7.2538 7.2538 7.8441 7.8441 8.1729 8.1729 8.1955 8.1955 8.8590 8.8590 9.0346 9.0346 10.5040 10.5040 11.1501 11.1501 11.3314 11.3314 12.5110 12.5110 12.8146 12.8146 k = 0.2093 0.1208-0.0000 ( 4997 PWs) bands (ev): -18.0038 -18.0038 -17.9860 -17.9860 -4.7983 -4.7983 -4.6658 -4.6658 -3.1379 -3.1379 -2.8190 -2.8190 -2.5957 -2.5957 -2.5791 -2.5791 -0.3855 -0.3855 0.2272 0.2272 5.5412 5.5412 5.7005 5.7005 5.9061 5.9061 6.0834 6.0834 6.2341 6.2341 6.4967 6.4967 6.6604 6.6604 6.7044 6.7044 6.7554 6.7554 6.8905 6.8905 7.3076 7.3076 7.7540 7.7540 8.1095 8.1095 8.1604 8.1604 8.7848 8.7848 9.0068 9.0068 10.5027 10.5027 11.0686 11.0686 11.3690 11.3690 12.5538 12.5538 12.8827 12.8827 k = 0.2209 0.1276-0.0000 ( 4997 PWs) bands (ev): -18.0016 -18.0016 -17.9839 -17.9839 -4.7989 -4.7989 -4.6755 -4.6755 -3.1344 -3.1344 -2.8409 -2.8409 -2.6096 -2.6096 -2.5808 -2.5808 -0.3465 -0.3465 0.2129 0.2129 5.5008 5.5008 5.6961 5.6961 5.9210 5.9210 6.0983 6.0983 6.2344 6.2344 6.5002 6.5002 6.6556 6.6556 6.7065 6.7065 6.7576 6.7576 6.8887 6.8887 7.3639 7.3639 7.6700 7.6700 8.0274 8.0274 8.1479 8.1479 8.7113 8.7113 8.9780 8.9780 10.4950 10.4950 10.9878 10.9878 11.4125 11.4125 12.5891 12.5891 12.9162 12.9162 k = 0.2326 0.1343-0.0000 ( 4993 PWs) bands (ev): -17.9993 -17.9993 -17.9818 -17.9818 -4.7998 -4.7998 -4.6853 -4.6853 -3.1309 -3.1309 -2.8625 -2.8625 -2.6233 -2.6233 -2.5821 -2.5821 -0.3084 -0.3084 0.1995 0.1995 5.4579 5.4579 5.6910 5.6910 5.9371 5.9371 6.1136 6.1136 6.2327 6.2327 6.5034 6.5034 6.6507 6.6507 6.7087 6.7087 6.7594 6.7594 6.8871 6.8871 7.4206 7.4206 7.5939 7.5939 7.9476 7.9476 8.1371 8.1371 8.6386 8.6386 8.9482 8.9482 10.4813 10.4813 10.9079 10.9079 11.4613 11.4613 12.6212 12.6212 12.9079 12.9079 k = 0.2442 0.1410-0.0000 ( 4985 PWs) bands (ev): -17.9970 -17.9970 -17.9796 -17.9796 -4.8010 -4.8010 -4.6953 -4.6953 -3.1272 -3.1272 -2.8836 -2.8836 -2.6365 -2.6365 -2.5832 -2.5832 -0.2720 -0.2720 0.1876 0.1876 5.4127 5.4127 5.6853 5.6853 5.9542 5.9542 6.1292 6.1292 6.2293 6.2293 6.5062 6.5062 6.6457 6.6457 6.7110 6.7110 6.7608 6.7608 6.8859 6.8859 7.4650 7.4650 7.5380 7.5380 7.8704 7.8704 8.1281 8.1281 8.5671 8.5671 8.9175 8.9175 10.4620 10.4620 10.8290 10.8290 11.5149 11.5149 12.6537 12.6537 12.8957 12.8957 k = 0.2558 0.1477-0.0000 ( 4973 PWs) bands (ev): -17.9947 -17.9947 -17.9775 -17.9775 -4.8024 -4.8024 -4.7055 -4.7055 -3.1236 -3.1236 -2.9040 -2.9040 -2.6491 -2.6491 -2.5841 -2.5841 -0.2379 -0.2379 0.1779 0.1779 5.3654 5.3654 5.6791 5.6791 5.9721 5.9721 6.1446 6.1446 6.2246 6.2246 6.5088 6.5088 6.6406 6.6406 6.7133 6.7133 6.7619 6.7619 6.8850 6.8850 7.4362 7.4362 7.5616 7.5616 7.7965 7.7965 8.1209 8.1209 8.4968 8.4968 8.8861 8.8861 10.4379 10.4379 10.7512 10.7512 11.5726 11.5726 12.6893 12.6893 12.8817 12.8817 k = 0.2674 0.1544-0.0000 ( 4979 PWs) bands (ev): -17.9924 -17.9924 -17.9753 -17.9753 -4.8041 -4.8041 -4.7157 -4.7157 -3.1200 -3.1200 -2.9237 -2.9237 -2.6611 -2.6611 -2.5848 -2.5848 -0.2070 -0.2070 0.1711 0.1711 5.3162 5.3162 5.6724 5.6724 5.9909 5.9909 6.1591 6.1591 6.2192 6.2192 6.5111 6.5111 6.6354 6.6354 6.7156 6.7156 6.7624 6.7624 6.8844 6.8844 7.3806 7.3806 7.6139 7.6139 7.7303 7.7303 8.1157 8.1157 8.4281 8.4281 8.8542 8.8542 10.4100 10.4100 10.6744 10.6744 11.6332 11.6332 12.7301 12.7301 12.8671 12.8671 k = 0.2791 0.1611-0.0000 ( 4983 PWs) bands (ev): -17.9902 -17.9902 -17.9732 -17.9732 -4.8061 -4.8061 -4.7259 -4.7259 -3.1166 -3.1166 -2.9425 -2.9425 -2.6723 -2.6723 -2.5853 -2.5853 -0.1806 -0.1806 0.1683 0.1683 5.2654 5.2654 5.6655 5.6655 6.0103 6.0103 6.1707 6.1707 6.2153 6.2153 6.5134 6.5134 6.6302 6.6302 6.7180 6.7180 6.7625 6.7625 6.8844 6.8844 7.3275 7.3275 7.6240 7.6240 7.7120 7.7120 8.1129 8.1129 8.3608 8.3608 8.8218 8.8218 10.3791 10.3791 10.5986 10.5986 11.6960 11.6960 12.7774 12.7774 12.8527 12.8527 k = 0.2907 0.1678-0.0000 ( 4987 PWs) bands (ev): -17.9879 -17.9879 -17.9711 -17.9711 -4.8083 -4.8083 -4.7361 -4.7361 -3.1135 -3.1135 -2.9604 -2.9604 -2.6827 -2.6827 -2.5857 -2.5857 -0.1596 -0.1596 0.1706 0.1706 5.2133 5.2133 5.6585 5.6585 6.0303 6.0303 6.1749 6.1749 6.2175 6.2175 6.5157 6.5157 6.6250 6.6250 6.7203 6.7203 6.7623 6.7623 6.8847 6.8847 7.2793 7.2793 7.5682 7.5682 7.7620 7.7620 8.1132 8.1132 8.2953 8.2953 8.7892 8.7892 10.3461 10.3461 10.5238 10.5238 11.7599 11.7599 12.8321 12.8321 12.8394 12.8394 k = 0.3023 0.1745-0.0000 ( 4981 PWs) bands (ev): -17.9857 -17.9857 -17.9690 -17.9690 -4.8107 -4.8107 -4.7461 -4.7461 -3.1108 -3.1108 -2.9771 -2.9771 -2.6921 -2.6921 -2.5860 -2.5860 -0.1448 -0.1448 0.1786 0.1786 5.1604 5.1604 5.6515 5.6515 6.0508 6.0508 6.1703 6.1703 6.2275 6.2275 6.5180 6.5180 6.6198 6.6198 6.7226 6.7226 6.7619 6.7619 6.8853 6.8853 7.2361 7.2361 7.5044 7.5044 7.8201 7.8201 8.1177 8.1177 8.2317 8.2317 8.7565 8.7565 10.3118 10.3118 10.4500 10.4500 11.8240 11.8240 12.8278 12.8278 12.8950 12.8950 k = 0.3140 0.1813-0.0000 ( 4979 PWs) bands (ev): -17.9835 -17.9835 -17.9670 -17.9670 -4.8134 -4.8134 -4.7559 -4.7559 -3.1087 -3.1087 -2.9925 -2.9925 -2.7005 -2.7005 -2.5862 -2.5862 -0.1364 -0.1364 0.1924 0.1924 5.1069 5.1069 5.6448 5.6448 6.0715 6.0715 6.1609 6.1609 6.2413 6.2413 6.5204 6.5204 6.6147 6.6147 6.7248 6.7248 6.7613 6.7613 6.8862 6.8862 7.1977 7.1977 7.4416 7.4416 7.8752 7.8752 8.1284 8.1284 8.1702 8.1702 8.7241 8.7241 10.2768 10.2768 10.3771 10.3771 11.8877 11.8877 12.8185 12.8185 12.9661 12.9661 k = 0.3256 0.1880-0.0000 ( 4979 PWs) bands (ev): -17.9814 -17.9814 -17.9650 -17.9650 -4.8162 -4.8162 -4.7655 -4.7655 -3.1075 -3.1075 -3.0065 -3.0065 -2.7079 -2.7079 -2.5862 -2.5862 -0.1336 -0.1336 0.2112 0.2112 5.0535 5.0535 5.6384 5.6384 6.0920 6.0920 6.1497 6.1497 6.2565 6.2565 6.5230 6.5230 6.6097 6.6097 6.7270 6.7270 6.7607 6.7607 6.8871 6.8871 7.1636 7.1636 7.3811 7.3811 7.9222 7.9222 8.1107 8.1107 8.1487 8.1487 8.6921 8.6921 10.2416 10.2416 10.3054 10.3054 11.9503 11.9503 12.8121 12.8121 13.0456 13.0456 k = 0.3372 0.1947-0.0000 ( 4973 PWs) bands (ev): -17.9794 -17.9794 -17.9631 -17.9631 -4.8192 -4.8192 -4.7747 -4.7747 -3.1072 -3.1072 -3.0189 -3.0189 -2.7142 -2.7142 -2.5862 -2.5862 -0.1355 -0.1355 0.2339 0.2339 5.0005 5.0005 5.6325 5.6325 6.1107 6.1107 6.1396 6.1396 6.2718 6.2718 6.5257 6.5257 6.6049 6.6049 6.7291 6.7291 6.7601 6.7601 6.8879 6.8879 7.1334 7.1334 7.3235 7.3235 7.9572 7.9572 8.0543 8.0543 8.1812 8.1812 8.6607 8.6607 10.2056 10.2056 10.2357 10.2357 12.0114 12.0114 12.8089 12.8089 13.1327 13.1327 k = 0.3488 0.2014-0.0000 ( 4977 PWs) bands (ev): -17.9775 -17.9775 -17.9613 -17.9613 -4.8224 -4.8224 -4.7834 -4.7834 -3.1081 -3.1081 -3.0295 -3.0295 -2.7195 -2.7195 -2.5862 -2.5862 -0.1408 -0.1408 0.2591 0.2591 4.9485 4.9485 5.6272 5.6272 6.1153 6.1153 6.1430 6.1430 6.2869 6.2869 6.5285 6.5285 6.6004 6.6004 6.7311 6.7311 6.7596 6.7596 6.8883 6.8883 7.1066 7.1066 7.2693 7.2693 7.9752 7.9752 8.0051 8.0051 8.2261 8.2261 8.6301 8.6301 10.1572 10.1572 10.1803 10.1803 12.0709 12.0709 12.8090 12.8090 13.2259 13.2259 k = 0.3605 0.2081-0.0000 ( 4985 PWs) bands (ev): -17.9756 -17.9756 -17.9596 -17.9596 -4.8256 -4.8256 -4.7917 -4.7917 -3.1103 -3.1103 -3.0382 -3.0382 -2.7237 -2.7237 -2.5861 -2.5861 -0.1483 -0.1483 0.2858 0.2858 4.8980 4.8980 5.6225 5.6225 6.1049 6.1049 6.1612 6.1612 6.3014 6.3014 6.5314 6.5314 6.5960 6.5960 6.7331 6.7331 6.7593 6.7593 6.8881 6.8881 7.0826 7.0826 7.2191 7.2191 7.9420 7.9420 8.0005 8.0005 8.2803 8.2803 8.6007 8.6007 10.0903 10.0903 10.1455 10.1455 12.1285 12.1285 12.8126 12.8126 13.3205 13.3205 k = 0.3721 0.2148-0.0000 ( 4983 PWs) bands (ev): -17.9739 -17.9739 -17.9580 -17.9580 -4.8290 -4.8290 -4.7993 -4.7993 -3.1138 -3.1138 -3.0450 -3.0450 -2.7269 -2.7269 -2.5859 -2.5859 -0.1573 -0.1573 0.3128 0.3128 4.8494 4.8494 5.6186 5.6186 6.0924 6.0924 6.1814 6.1814 6.3151 6.3151 6.5344 6.5344 6.5920 6.5920 6.7350 6.7350 6.7591 6.7591 6.8869 6.8869 7.0610 7.0610 7.1735 7.1735 7.8939 7.8939 8.0079 8.0079 8.3401 8.3401 8.5725 8.5725 10.0219 10.0219 10.1149 10.1149 12.1842 12.1842 12.8194 12.8194 13.3971 13.3971 k = 0.3837 0.2215-0.0000 ( 4983 PWs) bands (ev): -17.9723 -17.9723 -17.9564 -17.9564 -4.8325 -4.8325 -4.8063 -4.8063 -3.1184 -3.1184 -3.0501 -3.0501 -2.7293 -2.7293 -2.5857 -2.5857 -0.1669 -0.1669 0.3394 0.3394 4.8033 4.8033 5.6153 5.6153 6.0798 6.0798 6.2016 6.2016 6.3280 6.3280 6.5375 6.5375 6.5882 6.5882 6.7370 6.7370 6.7590 6.7590 6.8843 6.8843 7.0414 7.0414 7.1334 7.1334 7.8477 7.8477 8.0128 8.0128 8.4026 8.4026 8.5458 8.5458 9.9540 9.9540 10.0866 10.0866 12.2380 12.2380 12.8293 12.8293 13.4123 13.4123 k = 0.3953 0.2283-0.0000 ( 4965 PWs) bands (ev): -17.9708 -17.9708 -17.9551 -17.9551 -4.8361 -4.8361 -4.8125 -4.8125 -3.1236 -3.1236 -3.0539 -3.0539 -2.7309 -2.7309 -2.5855 -2.5855 -0.1767 -0.1767 0.3649 0.3649 4.7600 4.7600 5.6128 5.6128 6.0677 6.0677 6.2214 6.2214 6.3400 6.3400 6.5406 6.5406 6.5848 6.5848 6.7390 6.7390 6.7590 6.7590 6.8796 6.8796 7.0233 7.0233 7.0995 7.0995 7.8045 7.8045 8.0160 8.0160 8.4661 8.4661 8.5211 8.5211 9.8871 9.8871 10.0606 10.0606 12.2899 12.2899 12.8416 12.8416 13.3863 13.3863 k = 0.4070 0.2350-0.0000 ( 4969 PWs) bands (ev): -17.9695 -17.9695 -17.9538 -17.9538 -4.8397 -4.8397 -4.8179 -4.8179 -3.1291 -3.1291 -3.0567 -3.0567 -2.7318 -2.7318 -2.5853 -2.5853 -0.1863 -0.1863 0.3890 0.3890 4.7201 4.7201 5.6110 5.6110 6.0563 6.0563 6.2400 6.2400 6.3507 6.3507 6.5437 6.5437 6.5816 6.5816 6.7409 6.7409 6.7592 6.7592 6.8724 6.8724 7.0068 7.0068 7.0724 7.0724 7.7646 7.7646 8.0180 8.0180 8.4973 8.4973 8.5305 8.5305 9.8215 9.8215 10.0370 10.0370 12.3396 12.3396 12.8561 12.8561 13.3497 13.3497 k = 0.4186 0.2417-0.0000 ( 4977 PWs) bands (ev): -17.9683 -17.9683 -17.9526 -17.9526 -4.8432 -4.8432 -4.8224 -4.8224 -3.1345 -3.1345 -3.0588 -3.0588 -2.7323 -2.7323 -2.5851 -2.5851 -0.1953 -0.1953 0.4111 0.4111 4.6838 4.6838 5.6097 5.6097 6.0459 6.0459 6.2574 6.2574 6.3602 6.3602 6.5467 6.5467 6.5787 6.5787 6.7429 6.7429 6.7594 6.7594 6.8622 6.8622 6.9923 6.9923 7.0518 7.0518 7.7284 7.7284 8.0193 8.0193 8.4768 8.4768 8.5928 8.5928 9.7575 9.7575 10.0160 10.0160 12.3872 12.3872 12.8718 12.8718 13.3103 13.3103 k = 0.4302 0.2484-0.0000 ( 4981 PWs) bands (ev): -17.9672 -17.9672 -17.9516 -17.9516 -4.8467 -4.8467 -4.8262 -4.8262 -3.1396 -3.1396 -3.0605 -3.0605 -2.7323 -2.7323 -2.5849 -2.5849 -0.2036 -0.2036 0.4309 0.4309 4.6516 4.6516 5.6089 5.6089 6.0366 6.0366 6.2732 6.2732 6.3686 6.3686 6.5495 6.5495 6.5760 6.5760 6.7448 6.7448 6.7598 6.7598 6.8495 6.8495 6.9807 6.9807 7.0365 7.0365 7.6961 7.6961 8.0201 8.0201 8.4583 8.4583 8.6536 8.6536 9.6959 9.6959 9.9976 9.9976 12.4320 12.4320 12.8883 12.8883 13.2708 13.2708 k = 0.4419 0.2551-0.0000 ( 4977 PWs) bands (ev): -17.9663 -17.9663 -17.9508 -17.9508 -4.8498 -4.8498 -4.8293 -4.8293 -3.1440 -3.1440 -3.0617 -3.0617 -2.7320 -2.7320 -2.5847 -2.5847 -0.2109 -0.2109 0.4481 0.4481 4.6238 4.6238 5.6085 5.6085 6.0285 6.0285 6.2871 6.2871 6.3759 6.3759 6.5521 6.5521 6.5735 6.5735 6.7466 6.7466 6.7605 6.7605 6.8353 6.8353 6.9720 6.9720 7.0254 7.0254 7.6682 7.6682 8.0206 8.0206 8.4423 8.4423 8.7116 8.7116 9.6374 9.6374 9.9819 9.9819 12.4736 12.4736 12.9046 12.9046 13.2325 13.2325 k = 0.4535 0.2618-0.0000 ( 4971 PWs) bands (ev): -17.9655 -17.9655 -17.9501 -17.9501 -4.8526 -4.8526 -4.8317 -4.8317 -3.1479 -3.1479 -3.0628 -3.0628 -2.7317 -2.7317 -2.5845 -2.5845 -0.2170 -0.2170 0.4626 0.4626 4.6007 4.6007 5.6085 5.6085 6.0217 6.0217 6.2987 6.2987 6.3821 6.3821 6.5544 6.5544 6.5714 6.5714 6.7483 6.7483 6.7616 6.7616 6.8211 6.8211 6.9659 6.9659 7.0175 7.0175 7.6448 7.6448 8.0209 8.0209 8.4290 8.4290 8.7652 8.7652 9.5835 9.5835 9.9690 9.9690 12.5109 12.5109 12.9200 12.9200 13.1967 13.1967 k = 0.4651 0.2685-0.0000 ( 4979 PWs) bands (ev): -17.9649 -17.9649 -17.9495 -17.9495 -4.8548 -4.8548 -4.8336 -4.8336 -3.1509 -3.1509 -3.0635 -3.0635 -2.7313 -2.7313 -2.5844 -2.5844 -0.2220 -0.2220 0.4740 0.4740 4.5824 4.5824 5.6085 5.6085 6.0164 6.0164 6.3078 6.3078 6.3871 6.3871 6.5563 6.5563 6.5695 6.5695 6.7496 6.7496 6.7634 6.7634 6.8079 6.8079 6.9617 6.9617 7.0118 7.0118 7.6262 7.6262 8.0210 8.0210 8.4185 8.4185 8.8124 8.8124 9.5360 9.5360 9.9589 9.9589 12.5428 12.5428 12.9337 12.9337 13.1652 13.1652 k = 0.4767 0.2752-0.0000 ( 4999 PWs) bands (ev): -17.9645 -17.9645 -17.9491 -17.9491 -4.8565 -4.8565 -4.8349 -4.8349 -3.1531 -3.1531 -3.0641 -3.0641 -2.7309 -2.7309 -2.5843 -2.5843 -0.2255 -0.2255 0.4823 0.4823 4.5693 4.5693 5.6087 5.6087 6.0124 6.0124 6.3143 6.3143 6.3908 6.3908 6.5577 6.5577 6.5680 6.5680 6.7505 6.7505 6.7659 6.7659 6.7965 6.7965 6.9590 6.9590 7.0081 7.0081 7.6128 7.6128 8.0210 8.0210 8.4109 8.4109 8.8503 8.8503 9.4980 9.4980 9.9517 9.9517 12.5675 12.5675 12.9449 12.9449 13.1397 13.1397 k = 0.4884 0.2820-0.0000 ( 4997 PWs) bands (ev): -17.9643 -17.9643 -17.9489 -17.9489 -4.8575 -4.8575 -4.8356 -4.8356 -3.1544 -3.1544 -3.0644 -3.0644 -2.7307 -2.7307 -2.5842 -2.5842 -0.2277 -0.2277 0.4873 0.4873 4.5613 4.5613 5.6088 5.6088 6.0101 6.0101 6.3182 6.3182 6.3933 6.3933 6.5586 6.5586 6.5671 6.5671 6.7510 6.7510 6.7692 6.7692 6.7878 6.7878 6.9576 6.9576 7.0060 7.0060 7.6046 7.6046 8.0211 8.0211 8.4063 8.4063 8.8754 8.8754 9.4728 9.4728 9.9473 9.9473 12.5833 12.5833 12.9524 12.9524 13.1228 13.1228 k = 0.5000 0.2887-0.0000 ( 4990 PWs) bands (ev): -17.9642 -17.9642 -17.9488 -17.9488 -4.8579 -4.8579 -4.8359 -4.8359 -3.1549 -3.1549 -3.0645 -3.0645 -2.7306 -2.7306 -2.5842 -2.5842 -0.2284 -0.2284 0.4889 0.4889 4.5587 4.5587 5.6088 5.6088 6.0093 6.0093 6.3195 6.3195 6.3941 6.3941 6.5589 6.5589 6.5668 6.5668 6.7512 6.7512 6.7713 6.7713 6.7838 6.7838 6.9571 6.9571 7.0054 7.0054 7.6019 7.6019 8.0211 8.0211 8.4048 8.4048 8.8843 8.8843 9.4639 9.4639 9.9459 9.9459 12.5888 12.5888 12.9551 12.9551 13.1168 13.1168 k = 0.5000 0.2887-0.0000 ( 4990 PWs) bands (ev): -17.9642 -17.9642 -17.9488 -17.9488 -4.8579 -4.8579 -4.8359 -4.8359 -3.1549 -3.1549 -3.0645 -3.0645 -2.7306 -2.7306 -2.5842 -2.5842 -0.2284 -0.2284 0.4889 0.4889 4.5587 4.5587 5.6088 5.6088 6.0093 6.0093 6.3195 6.3195 6.3941 6.3941 6.5589 6.5589 6.5668 6.5668 6.7512 6.7512 6.7713 6.7713 6.7838 6.7838 6.9571 6.9571 7.0054 7.0054 7.6019 7.6019 8.0211 8.0211 8.4048 8.4048 8.8843 8.8843 9.4639 9.4639 9.9459 9.9459 12.5888 12.5888 12.9551 12.9551 13.1168 13.1168 k = 0.4933 0.3002-0.0000 ( 4996 PWs) bands (ev): -17.9641 -17.9641 -17.9488 -17.9488 -4.8578 -4.8578 -4.8359 -4.8359 -3.1548 -3.1548 -3.0643 -3.0643 -2.7311 -2.7311 -2.5848 -2.5848 -0.2274 -0.2274 0.4884 0.4884 4.5603 4.5603 5.6060 5.6060 6.0103 6.0103 6.3210 6.3210 6.3941 6.3941 6.5553 6.5553 6.5700 6.5700 6.7511 6.7511 6.7715 6.7715 6.7833 6.7833 6.9570 6.9570 7.0049 7.0049 7.6023 7.6023 8.0220 8.0220 8.3954 8.3954 8.8833 8.8833 9.4667 9.4667 9.9552 9.9552 12.5904 12.5904 12.9268 12.9268 13.1222 13.1222 k = 0.4867 0.3118-0.0000 ( 5004 PWs) bands (ev): -17.9641 -17.9641 -17.9487 -17.9487 -4.8577 -4.8577 -4.8359 -4.8359 -3.1547 -3.1547 -3.0638 -3.0638 -2.7329 -2.7329 -2.5866 -2.5866 -0.2243 -0.2243 0.4868 0.4868 4.5651 4.5651 5.5975 5.5975 6.0130 6.0130 6.3252 6.3252 6.3940 6.3940 6.5491 6.5491 6.5751 6.5751 6.7508 6.7508 6.7721 6.7721 6.7820 6.7820 6.9566 6.9566 7.0036 7.0036 7.6036 7.6036 8.0247 8.0247 8.3679 8.3679 8.8804 8.8804 9.4751 9.4751 9.9825 9.9825 12.5944 12.5944 12.8565 12.8565 13.1383 13.1383 k = 0.4800 0.3233-0.0000 ( 5000 PWs) bands (ev): -17.9639 -17.9639 -17.9486 -17.9486 -4.8575 -4.8575 -4.8359 -4.8359 -3.1544 -3.1544 -3.0628 -3.0628 -2.7357 -2.7357 -2.5895 -2.5895 -0.2191 -0.2191 0.4840 0.4840 4.5732 4.5732 5.5838 5.5838 6.0176 6.0176 6.3318 6.3318 6.3940 6.3940 6.5423 6.5423 6.5804 6.5804 6.7501 6.7501 6.7733 6.7733 6.7799 6.7799 6.9558 6.9558 7.0016 7.0016 7.6055 7.6055 8.0293 8.0293 8.3245 8.3245 8.8756 8.8756 9.4889 9.4889 10.0260 10.0260 12.5954 12.5954 12.7703 12.7703 13.1649 13.1649 k = 0.4733 0.3349-0.0000 ( 5000 PWs) bands (ev): -17.9637 -17.9637 -17.9484 -17.9484 -4.8571 -4.8571 -4.8360 -4.8360 -3.1542 -3.1542 -3.0614 -3.0614 -2.7396 -2.7396 -2.5935 -2.5935 -0.2120 -0.2120 0.4802 0.4802 4.5843 4.5843 5.5655 5.5655 6.0240 6.0240 6.3399 6.3399 6.3942 6.3942 6.5352 6.5352 6.5854 6.5854 6.7489 6.7489 6.7748 6.7748 6.7773 6.7773 6.9544 6.9544 6.9994 6.9994 7.6080 7.6080 8.0357 8.0357 8.2678 8.2678 8.8690 8.8690 9.5082 9.5082 10.0831 10.0831 12.5707 12.5707 12.7035 12.7035 13.2015 13.2015 k = 0.4667 0.3464-0.0000 ( 4984 PWs) bands (ev): -17.9635 -17.9635 -17.9482 -17.9482 -4.8568 -4.8568 -4.8361 -4.8361 -3.1539 -3.1539 -3.0596 -3.0596 -2.7445 -2.7445 -2.5985 -2.5985 -0.2029 -0.2029 0.4754 0.4754 4.5986 4.5986 5.5432 5.5432 6.0320 6.0320 6.3486 6.3486 6.3950 6.3950 6.5281 6.5281 6.5904 6.5904 6.7470 6.7470 6.7724 6.7724 6.7786 6.7786 6.9521 6.9521 6.9974 6.9974 7.6107 7.6107 8.0439 8.0439 8.2009 8.2009 8.8605 8.8605 9.5328 9.5328 10.1514 10.1514 12.4916 12.4916 12.6897 12.6897 13.2477 13.2477 k = 0.4600 0.3580-0.0000 ( 4984 PWs) bands (ev): -17.9632 -17.9632 -17.9479 -17.9479 -4.8563 -4.8563 -4.8362 -4.8362 -3.1536 -3.1536 -3.0574 -3.0574 -2.7505 -2.7505 -2.6044 -2.6044 -0.1920 -0.1920 0.4694 0.4694 4.6157 4.6157 5.5177 5.5177 6.0415 6.0415 6.3563 6.3563 6.3965 6.3965 6.5213 6.5213 6.5952 6.5952 6.7445 6.7445 6.7676 6.7676 6.7820 6.7820 6.9486 6.9486 6.9961 6.9961 7.6133 7.6133 8.0537 8.0537 8.1267 8.1267 8.8504 8.8504 9.5626 9.5626 10.2286 10.2286 12.3869 12.3869 12.7025 12.7025 13.3027 13.3027 k = 0.4533 0.3695-0.0000 ( 4968 PWs) bands (ev): -17.9629 -17.9629 -17.9476 -17.9476 -4.8558 -4.8558 -4.8363 -4.8363 -3.1534 -3.1534 -3.0548 -3.0548 -2.7573 -2.7573 -2.6110 -2.6110 -0.1793 -0.1793 0.4624 0.4624 4.6358 4.6358 5.4897 5.4897 6.0524 6.0524 6.3617 6.3617 6.3993 6.3993 6.5153 6.5153 6.5997 6.5997 6.7416 6.7416 6.7619 6.7619 6.7859 6.7859 6.9438 6.9438 6.9960 6.9960 7.6155 7.6155 8.0466 8.0466 8.0664 8.0664 8.8386 8.8386 9.5973 9.5973 10.3127 10.3127 12.2761 12.2761 12.7222 12.7222 13.3655 13.3655 k = 0.4467 0.3811-0.0000 ( 4960 PWs) bands (ev): -17.9625 -17.9625 -17.9473 -17.9473 -4.8552 -4.8552 -4.8364 -4.8364 -3.1533 -3.1533 -3.0516 -3.0516 -2.7650 -2.7650 -2.6182 -2.6182 -0.1650 -0.1650 0.4544 0.4544 4.6585 4.6585 5.4599 5.4599 6.0645 6.0645 6.3641 6.3641 6.4029 6.4029 6.5107 6.5107 6.6041 6.6041 6.7385 6.7385 6.7554 6.7554 6.7901 6.7901 6.9378 6.9378 6.9972 6.9972 7.6168 7.6168 7.9654 7.9654 8.0793 8.0793 8.8252 8.8252 9.6368 9.6368 10.4024 10.4024 12.1642 12.1642 12.7426 12.7426 13.4352 13.4352 k = 0.4400 0.3926-0.0000 ( 4960 PWs) bands (ev): -17.9621 -17.9621 -17.9469 -17.9469 -4.8546 -4.8546 -4.8366 -4.8366 -3.1533 -3.1533 -3.0480 -3.0480 -2.7734 -2.7734 -2.6259 -2.6259 -0.1491 -0.1491 0.4453 0.4453 4.6837 4.6837 5.4290 5.4290 6.0777 6.0777 6.3636 6.3636 6.4057 6.4057 6.5081 6.5081 6.6080 6.6080 6.7354 6.7354 6.7481 6.7481 6.7944 6.7944 6.9308 6.9308 6.9995 6.9995 7.6169 7.6169 7.8832 7.8832 8.0944 8.0944 8.8105 8.8105 9.6808 9.6808 10.4967 10.4967 12.0531 12.0531 12.7601 12.7601 13.5102 13.5102 k = 0.4333 0.4041-0.0000 ( 4978 PWs) bands (ev): -17.9617 -17.9617 -17.9465 -17.9465 -4.8540 -4.8540 -4.8369 -4.8369 -3.1535 -3.1535 -3.0440 -3.0440 -2.7824 -2.7824 -2.6338 -2.6338 -0.1319 -0.1319 0.4352 0.4352 4.7112 4.7112 5.3975 5.3975 6.0916 6.0916 6.3608 6.3608 6.4060 6.4060 6.5080 6.5080 6.6114 6.6114 6.7324 6.7324 6.7403 6.7403 6.7984 6.7984 6.9231 6.9231 7.0030 7.0030 7.6150 7.6150 7.8025 7.8025 8.1113 8.1113 8.7943 8.7943 9.7290 9.7290 10.5947 10.5947 11.9437 11.9437 12.7713 12.7713 13.5886 13.5886 k = 0.4267 0.4157-0.0000 ( 4982 PWs) bands (ev): -17.9612 -17.9612 -17.9460 -17.9460 -4.8534 -4.8534 -4.8372 -4.8372 -3.1540 -3.1540 -3.0394 -3.0394 -2.7920 -2.7920 -2.6419 -2.6419 -0.1135 -0.1135 0.4241 0.4241 4.7407 4.7407 5.3660 5.3660 6.1062 6.1062 6.3563 6.3563 6.4029 6.4029 6.5104 6.5104 6.6142 6.6142 6.7292 6.7292 6.7328 6.7328 6.8022 6.8022 6.9151 6.9151 7.0076 7.0076 7.6093 7.6093 7.7267 7.7267 8.1297 8.1297 8.7770 8.7770 9.7811 9.7811 10.6959 10.6959 11.8365 11.8365 12.7734 12.7734 13.6677 13.6677 k = 0.4200 0.4272-0.0000 ( 4980 PWs) bands (ev): -17.9607 -17.9607 -17.9456 -17.9456 -4.8528 -4.8528 -4.8375 -4.8375 -3.1547 -3.1547 -3.0344 -3.0344 -2.8020 -2.8020 -2.6500 -2.6500 -0.0940 -0.0940 0.4120 0.4120 4.7721 4.7721 5.3350 5.3350 6.1212 6.1212 6.3500 6.3500 6.3963 6.3963 6.5145 6.5145 6.6162 6.6162 6.7225 6.7225 6.7294 6.7294 6.8056 6.8056 6.9071 6.9071 7.0130 7.0130 7.5924 7.5924 7.6642 7.6642 8.1496 8.1496 8.7586 8.7586 9.8368 9.8368 10.7998 10.7998 11.7318 11.7318 12.7642 12.7642 13.7439 13.7439 k = 0.4133 0.4388-0.0000 ( 4968 PWs) bands (ev): -17.9603 -17.9603 -17.9451 -17.9451 -4.8522 -4.8522 -4.8379 -4.8379 -3.1556 -3.1556 -3.0290 -3.0290 -2.8124 -2.8124 -2.6580 -2.6580 -0.0736 -0.0736 0.3991 0.3991 4.8049 4.8049 5.3049 5.3049 6.1364 6.1364 6.3418 6.3418 6.3870 6.3870 6.5194 6.5194 6.6173 6.6173 6.7145 6.7145 6.7286 6.7286 6.8083 6.8083 6.8993 6.8993 7.0193 7.0193 7.5485 7.5485 7.6321 7.6321 8.1710 8.1710 8.7393 8.7393 9.8957 9.8957 10.9062 10.9062 11.6300 11.6300 12.7430 12.7430 13.8111 13.8111 k = 0.4067 0.4503-0.0000 ( 4966 PWs) bands (ev): -17.9598 -17.9598 -17.9447 -17.9447 -4.8516 -4.8516 -4.8384 -4.8384 -3.1567 -3.1567 -3.0232 -3.0232 -2.8229 -2.8229 -2.6656 -2.6656 -0.0524 -0.0524 0.3854 0.3854 4.8388 4.8388 5.2760 5.2760 6.1516 6.1516 6.3311 6.3311 6.3756 6.3756 6.5241 6.5241 6.6175 6.6175 6.7071 6.7071 6.7289 6.7289 6.8103 6.8103 6.8921 6.8921 7.0261 7.0261 7.4903 7.4903 7.6186 7.6186 8.1938 8.1938 8.7191 8.7191 9.9572 9.9572 11.0145 11.0145 11.5312 11.5312 12.7105 12.7105 13.8610 13.8610 k = 0.4000 0.4619-0.0000 ( 4970 PWs) bands (ev): -17.9593 -17.9593 -17.9442 -17.9442 -4.8511 -4.8511 -4.8389 -4.8389 -3.1581 -3.1581 -3.0170 -3.0170 -2.8336 -2.8336 -2.6728 -2.6728 -0.0306 -0.0306 0.3708 0.3708 4.8733 4.8733 5.2488 5.2488 6.1666 6.1666 6.3172 6.3172 6.3631 6.3631 6.5280 6.5280 6.6167 6.6167 6.7008 6.7008 6.7300 6.7300 6.8113 6.8113 6.8856 6.8856 7.0332 7.0332 7.4337 7.4337 7.6088 7.6088 8.2177 8.2177 8.6982 8.6982 10.0211 10.0211 11.1244 11.1244 11.4358 11.4358 12.6684 12.6684 13.8840 13.8840 k = 0.3933 0.4734-0.0000 ( 4966 PWs) bands (ev): -17.9588 -17.9588 -17.9438 -17.9438 -4.8507 -4.8507 -4.8394 -4.8394 -3.1596 -3.1596 -3.0105 -3.0105 -2.8442 -2.8442 -2.6795 -2.6795 -0.0085 -0.0085 0.3556 0.3556 4.9079 4.9079 5.2236 5.2236 6.1810 6.1810 6.2992 6.2992 6.3507 6.3507 6.5309 6.5309 6.6151 6.6151 6.6962 6.6962 6.7320 6.7320 6.8112 6.8112 6.8801 6.8801 7.0406 7.0406 7.3830 7.3830 7.5991 7.5991 8.2427 8.2427 8.6767 8.6767 10.0867 10.0867 11.2344 11.2344 11.3449 11.3449 12.6190 12.6190 13.8758 13.8758 k = 0.3867 0.4850-0.0000 ( 4962 PWs) bands (ev): -17.9583 -17.9583 -17.9433 -17.9433 -4.8503 -4.8503 -4.8400 -4.8400 -3.1612 -3.1612 -3.0038 -3.0038 -2.8547 -2.8547 -2.6856 -2.6856 0.0138 0.0138 0.3399 0.3399 4.9419 4.9419 5.2007 5.2007 6.1947 6.1947 6.2772 6.2772 6.3392 6.3392 6.5329 6.5329 6.6129 6.6129 6.6933 6.6933 6.7346 6.7346 6.8100 6.8100 6.8758 6.8758 7.0476 7.0476 7.3396 7.3396 7.5890 7.5890 8.2685 8.2685 8.6548 8.6548 10.1534 10.1534 11.2508 11.2508 11.3519 11.3519 12.5645 12.5645 13.8418 13.8418 k = 0.3800 0.4965-0.0000 ( 4966 PWs) bands (ev): -17.9579 -17.9579 -17.9429 -17.9429 -4.8500 -4.8500 -4.8405 -4.8405 -3.1629 -3.1629 -2.9970 -2.9970 -2.8649 -2.8649 -2.6911 -2.6911 0.0360 0.0360 0.3237 0.3237 4.9746 4.9746 5.1803 5.1803 6.2071 6.2071 6.2522 6.2522 6.3287 6.3287 6.5342 6.5342 6.6101 6.6101 6.6921 6.6921 6.7374 6.7374 6.8077 6.8077 6.8725 6.8725 7.0537 7.0537 7.3039 7.3039 7.5782 7.5782 8.2950 8.2950 8.6325 8.6325 10.2208 10.2208 11.1672 11.1672 11.4626 11.4626 12.5069 12.5069 13.7917 13.7917 k = 0.3733 0.5081-0.0000 ( 4962 PWs) bands (ev): -17.9575 -17.9575 -17.9426 -17.9426 -4.8497 -4.8497 -4.8411 -4.8411 -3.1647 -3.1647 -2.9901 -2.9901 -2.8748 -2.8748 -2.6958 -2.6958 0.0580 0.0580 0.3072 0.3072 5.0051 5.0051 5.1630 5.1630 6.2128 6.2128 6.2309 6.2309 6.3192 6.3192 6.5351 6.5351 6.6072 6.6072 6.6925 6.6925 6.7402 6.7402 6.8047 6.8047 6.8703 6.8703 7.0587 7.0587 7.2763 7.2763 7.5669 7.5669 8.3219 8.3219 8.6100 8.6100 10.2882 10.2882 11.0859 11.0859 11.5737 11.5737 12.4477 12.4477 13.7341 13.7341 k = 0.3667 0.5196-0.0000 ( 4960 PWs) bands (ev): -17.9572 -17.9572 -17.9422 -17.9422 -4.8495 -4.8495 -4.8416 -4.8416 -3.1663 -3.1663 -2.9833 -2.9833 -2.8841 -2.8841 -2.6999 -2.6999 0.0792 0.0792 0.2908 0.2908 5.0320 5.0320 5.1490 5.1490 6.1925 6.1925 6.2343 6.2343 6.3104 6.3104 6.5358 6.5358 6.6043 6.6043 6.6939 6.6939 6.7428 6.7428 6.8013 6.8013 6.8689 6.8689 7.0618 7.0618 7.2563 7.2563 7.5556 7.5556 8.3490 8.3490 8.5874 8.5874 10.3549 10.3549 11.0083 11.0083 11.6827 11.6827 12.3881 12.3881 13.6749 13.6749 k = 0.3600 0.5312-0.0000 ( 4958 PWs) bands (ev): -17.9568 -17.9568 -17.9419 -17.9419 -4.8494 -4.8494 -4.8421 -4.8421 -3.1678 -3.1678 -2.9768 -2.9768 -2.8926 -2.8926 -2.7031 -2.7031 0.0994 0.0994 0.2747 0.2747 5.0540 5.0540 5.1392 5.1392 6.1672 6.1672 6.2432 6.2432 6.3025 6.3025 6.5363 6.5363 6.6016 6.6016 6.6960 6.6960 6.7449 6.7449 6.7981 6.7981 6.8680 6.8680 7.0631 7.0631 7.2433 7.2433 7.5448 7.5448 8.3759 8.3759 8.5648 8.5648 10.4201 10.4201 10.9348 10.9348 11.7877 11.7877 12.3292 12.3292 13.6186 13.6186 k = 0.3533 0.5427-0.0000 ( 4954 PWs) bands (ev): -17.9566 -17.9566 -17.9417 -17.9417 -4.8494 -4.8494 -4.8426 -4.8426 -3.1691 -3.1691 -2.9708 -2.9708 -2.9001 -2.9001 -2.7056 -2.7056 0.1179 0.1179 0.2595 0.2595 5.0694 5.0694 5.1342 5.1342 6.1449 6.1449 6.2513 6.2513 6.2955 6.2955 6.5368 6.5368 6.5992 6.5992 6.6985 6.6985 6.7462 6.7462 6.7954 6.7954 6.8674 6.8674 7.0628 7.0628 7.2361 7.2361 7.5350 7.5350 8.4023 8.4023 8.5423 8.5423 10.4831 10.4831 10.8658 10.8658 11.8861 11.8861 12.2716 12.2716 13.5688 13.5688 k = 0.3467 0.5543-0.0000 ( 4948 PWs) bands (ev): -17.9564 -17.9564 -17.9415 -17.9415 -4.8494 -4.8494 -4.8429 -4.8429 -3.1702 -3.1702 -2.9659 -2.9659 -2.9061 -2.9061 -2.7074 -2.7074 0.1335 0.1335 0.2463 0.2463 5.0776 5.0776 5.1338 5.1338 6.1277 6.1277 6.2577 6.2577 6.2898 6.2898 6.5373 6.5373 6.5974 6.5974 6.7008 6.7008 6.7468 6.7468 6.7933 6.7933 6.8672 6.8672 7.0618 7.0618 7.2328 7.2328 7.5270 7.5270 8.4278 8.4278 8.5200 8.5200 10.5425 10.5425 10.8025 10.8025 11.9748 11.9748 12.2159 12.2159 13.5293 13.5293 k = 0.3400 0.5658-0.0000 ( 4938 PWs) bands (ev): -17.9563 -17.9563 -17.9414 -17.9414 -4.8495 -4.8495 -4.8431 -4.8431 -3.1708 -3.1708 -2.9625 -2.9625 -2.9101 -2.9101 -2.7084 -2.7084 0.1446 0.1446 0.2368 0.2368 5.0807 5.0807 5.1355 5.1355 6.1170 6.1170 6.2619 6.2619 6.2861 6.2861 6.5376 6.5376 6.5963 6.5963 6.7025 6.7025 6.7469 6.7469 6.7922 6.7922 6.8670 6.8670 7.0607 7.0607 7.2320 7.2320 7.5216 7.5216 8.4517 8.4517 8.4983 8.4983 10.5942 10.5942 10.7485 10.7485 12.0498 12.0498 12.1632 12.1632 13.5034 13.5034 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -17.9562 -17.9562 -17.9414 -17.9414 -4.8495 -4.8495 -4.8431 -4.8431 -3.1711 -3.1711 -2.9613 -2.9613 -2.9115 -2.9115 -2.7087 -2.7087 0.1486 0.1486 0.2333 0.2333 5.0814 5.0814 5.1364 5.1364 6.1134 6.1134 6.2633 6.2633 6.2848 6.2848 6.5377 6.5377 6.5959 6.5959 6.7032 6.7032 6.7469 6.7469 6.7918 6.7918 6.8670 6.8670 7.0602 7.0602 7.2319 7.2319 7.5197 7.5197 8.4688 8.4688 8.4821 8.4821 10.6203 10.6203 10.7216 10.7216 12.0973 12.0973 12.1238 12.1238 13.4943 13.4943 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -17.9562 -17.9562 -17.9414 -17.9414 -4.8495 -4.8495 -4.8431 -4.8431 -3.1711 -3.1711 -2.9613 -2.9613 -2.9115 -2.9115 -2.7087 -2.7087 0.1486 0.1486 0.2333 0.2333 5.0814 5.0814 5.1364 5.1364 6.1134 6.1134 6.2633 6.2633 6.2848 6.2848 6.5377 6.5377 6.5959 6.5959 6.7032 6.7032 6.7469 6.7469 6.7918 6.7918 6.8670 6.8670 7.0602 7.0602 7.2319 7.2319 7.5197 7.5197 8.4688 8.4688 8.4821 8.4821 10.6203 10.6203 10.7216 10.7216 12.0973 12.0973 12.1238 12.1238 13.4943 13.4943 k = 0.3267 0.5658-0.0000 ( 4938 PWs) bands (ev): -17.9563 -17.9563 -17.9414 -17.9414 -4.8494 -4.8494 -4.8431 -4.8431 -3.1708 -3.1708 -2.9624 -2.9624 -2.9102 -2.9102 -2.7084 -2.7084 0.1449 0.1449 0.2364 0.2364 5.0807 5.0807 5.1357 5.1357 6.1169 6.1169 6.2623 6.2623 6.2857 6.2857 6.5376 6.5376 6.5963 6.5963 6.7025 6.7025 6.7470 6.7470 6.7921 6.7921 6.8670 6.8670 7.0608 7.0608 7.2318 7.2318 7.5218 7.5218 8.4528 8.4528 8.4971 8.4971 10.5968 10.5968 10.7459 10.7459 12.0604 12.0604 12.1520 12.1520 13.5036 13.5036 k = 0.3200 0.5543-0.0000 ( 4945 PWs) bands (ev): -17.9564 -17.9564 -17.9415 -17.9415 -4.8493 -4.8493 -4.8429 -4.8429 -3.1700 -3.1700 -2.9653 -2.9653 -2.9067 -2.9067 -2.7075 -2.7075 0.1358 0.1358 0.2438 0.2438 5.0778 5.0778 5.1349 5.1349 6.1268 6.1268 6.2605 6.2605 6.2874 6.2874 6.5374 6.5374 6.5973 6.5973 6.7005 6.7005 6.7475 6.7475 6.7930 6.7930 6.8670 6.8670 7.0625 7.0625 7.2314 7.2314 7.5283 7.5283 8.4321 8.4321 8.5146 8.5146 10.5551 10.5551 10.7901 10.7901 12.0160 12.0160 12.1698 12.1698 13.5303 13.5303 k = 0.3133 0.5427-0.0000 ( 4951 PWs) bands (ev): -17.9566 -17.9566 -17.9418 -17.9418 -4.8490 -4.8490 -4.8425 -4.8425 -3.1686 -3.1686 -2.9693 -2.9693 -2.9019 -2.9019 -2.7059 -2.7059 0.1241 0.1241 0.2528 0.2528 5.0711 5.0711 5.1369 5.1369 6.1419 6.1419 6.2589 6.2589 6.2890 6.2890 6.5371 6.5371 6.5989 6.5989 6.6976 6.6976 6.7481 6.7481 6.7944 6.7944 6.8671 6.8671 7.0653 7.0653 7.2313 7.2313 7.5393 7.5393 8.4115 8.4115 8.5295 8.5295 10.5128 10.5128 10.8370 10.8370 11.9742 11.9742 12.1684 12.1684 13.5701 13.5701 k = 0.3067 0.5312-0.0000 ( 4955 PWs) bands (ev): -17.9570 -17.9570 -17.9421 -17.9421 -4.8485 -4.8485 -4.8419 -4.8419 -3.1667 -3.1667 -2.9738 -2.9738 -2.8962 -2.8962 -2.7039 -2.7039 0.1115 0.1115 0.2615 0.2615 5.0600 5.0600 5.1432 5.1432 6.1605 6.1605 6.2578 6.2578 6.2903 6.2903 6.5368 6.5368 6.6008 6.6008 6.6944 6.6944 6.7486 6.7486 6.7964 6.7964 6.8670 6.8670 7.0687 7.0687 7.2326 7.2326 7.5545 7.5545 8.3912 8.3912 8.5409 8.5409 10.4733 10.4733 10.8835 10.8835 11.9355 11.9355 12.1498 12.1498 13.6152 13.6152 k = 0.3000 0.5196-0.0000 ( 4959 PWs) bands (ev): -17.9574 -17.9574 -17.9425 -17.9425 -4.8478 -4.8478 -4.8412 -4.8412 -3.1640 -3.1640 -2.9785 -2.9785 -2.8900 -2.8900 -2.7013 -2.7013 0.0988 0.0988 0.2690 0.2690 5.0458 5.0458 5.1540 5.1540 6.1808 6.1808 6.2576 6.2576 6.2913 6.2913 6.5365 6.5365 6.6030 6.6030 6.6918 6.6918 6.7488 6.7488 6.7988 6.7988 6.8669 6.8669 7.0720 7.0720 7.2371 7.2371 7.5734 7.5734 8.3714 8.3714 8.5484 8.5484 10.4376 10.4376 10.9293 10.9293 11.9001 11.9001 12.1175 12.1175 13.6550 13.6550 k = 0.2933 0.5081-0.0000 ( 4969 PWs) bands (ev): -17.9579 -17.9579 -17.9430 -17.9430 -4.8468 -4.8468 -4.8402 -4.8402 -3.1607 -3.1607 -2.9832 -2.9832 -2.8836 -2.8836 -2.6983 -2.6983 0.0866 0.0866 0.2746 0.2746 5.0301 5.0301 5.1684 5.1684 6.2008 6.2008 6.2583 6.2583 6.2920 6.2920 6.5359 6.5359 6.6051 6.6051 6.6907 6.6907 6.7484 6.7484 6.8016 6.8016 6.8667 6.8667 7.0745 7.0745 7.2464 7.2464 7.5957 7.5957 8.3520 8.3520 8.5515 8.5515 10.4061 10.4061 10.9747 10.9747 11.8680 11.8680 12.0747 12.0747 13.6782 13.6782 k = 0.2867 0.4965-0.0000 ( 4965 PWs) bands (ev): -17.9586 -17.9586 -17.9436 -17.9436 -4.8455 -4.8455 -4.8389 -4.8389 -3.1567 -3.1567 -2.9880 -2.9880 -2.8769 -2.8769 -2.6949 -2.6949 0.0753 0.0753 0.2782 0.2782 5.0146 5.0146 5.1859 5.1859 6.2186 6.2186 6.2600 6.2600 6.2925 6.2925 6.5347 6.5347 6.6072 6.6072 6.6925 6.6925 6.7475 6.7475 6.8047 6.8047 6.8666 6.8666 7.0759 7.0759 7.2620 7.2620 7.6209 7.6209 8.3332 8.3332 8.5500 8.5500 10.3790 10.3790 11.0203 11.0203 11.8394 11.8394 12.0244 12.0244 13.6773 13.6773 k = 0.2800 0.4850-0.0000 ( 4967 PWs) bands (ev): -17.9594 -17.9594 -17.9443 -17.9443 -4.8441 -4.8441 -4.8374 -4.8374 -3.1521 -3.1521 -2.9927 -2.9927 -2.8701 -2.8701 -2.6911 -2.6911 0.0650 0.0650 0.2794 0.2794 5.0004 5.0004 5.2061 5.2061 6.2329 6.2329 6.2625 6.2625 6.2931 6.2931 6.5317 6.5317 6.6091 6.6091 6.6982 6.6982 6.7463 6.7463 6.8081 6.8081 6.8666 6.8666 7.0763 7.0763 7.2845 7.2845 7.6485 7.6485 8.3149 8.3149 8.5434 8.5434 10.3564 10.3564 11.0666 11.0666 11.8140 11.8140 11.9687 11.9687 13.6512 13.6512 k = 0.2733 0.4734-0.0000 ( 4977 PWs) bands (ev): -17.9602 -17.9602 -17.9451 -17.9451 -4.8424 -4.8424 -4.8354 -4.8354 -3.1467 -3.1467 -2.9973 -2.9973 -2.8631 -2.8631 -2.6871 -2.6871 0.0560 0.0560 0.2780 0.2780 4.9882 4.9882 5.2287 5.2287 6.2426 6.2426 6.2658 6.2658 6.2939 6.2939 6.5262 6.5262 6.6107 6.6107 6.7083 6.7083 6.7448 6.7448 6.8117 6.8117 6.8671 6.8671 7.0763 7.0763 7.3140 7.3140 7.6784 7.6784 8.2971 8.2971 8.5317 8.5317 10.3383 10.3383 11.1143 11.1143 11.7920 11.7920 11.9096 11.9096 13.6046 13.6046 k = 0.2667 0.4619-0.0000 ( 4973 PWs) bands (ev): -17.9612 -17.9612 -17.9460 -17.9460 -4.8405 -4.8405 -4.8329 -4.8329 -3.1407 -3.1407 -3.0020 -3.0020 -2.8559 -2.8559 -2.6828 -2.6828 0.0483 0.0483 0.2739 0.2739 4.9789 4.9789 5.2533 5.2533 6.2477 6.2477 6.2699 6.2699 6.2949 6.2949 6.5178 6.5178 6.6120 6.6120 6.7218 6.7218 6.7440 6.7440 6.8156 6.8156 6.8686 6.8686 7.0768 7.0768 7.3503 7.3503 7.7104 7.7104 8.2799 8.2799 8.5148 8.5148 10.3249 10.3249 11.1639 11.1639 11.7729 11.7729 11.8486 11.8486 13.5436 13.5436 k = 0.2600 0.4503-0.0000 ( 4977 PWs) bands (ev): -17.9623 -17.9623 -17.9471 -17.9471 -4.8385 -4.8385 -4.8299 -4.8299 -3.1340 -3.1340 -3.0067 -3.0067 -2.8485 -2.8485 -2.6783 -2.6783 0.0421 0.0421 0.2670 0.2670 4.9728 4.9728 5.2798 5.2798 6.2485 6.2485 6.2742 6.2742 6.2962 6.2962 6.5064 6.5064 6.6130 6.6130 6.7332 6.7332 6.7478 6.7478 6.8199 6.8199 6.8721 6.8721 7.0784 7.0784 7.3929 7.3929 7.7441 7.7441 8.2633 8.2633 8.4925 8.4925 10.3161 10.3161 11.2160 11.2160 11.7545 11.7545 11.7889 11.7889 13.4734 13.4734 k = 0.2533 0.4388-0.0000 ( 4989 PWs) bands (ev): -17.9636 -17.9636 -17.9482 -17.9482 -4.8365 -4.8365 -4.8262 -4.8262 -3.1267 -3.1267 -3.0114 -3.0114 -2.8407 -2.8407 -2.6737 -2.6737 0.0374 0.0374 0.2574 0.2574 4.9704 4.9704 5.3077 5.3077 6.2457 6.2457 6.2778 6.2778 6.2982 6.2982 6.4924 6.4924 6.6137 6.6137 6.7350 6.7350 6.7609 6.7609 6.8244 6.8244 6.8798 6.8798 7.0819 7.0819 7.4414 7.4414 7.7795 7.7795 8.2473 8.2473 8.4651 8.4651 10.3119 10.3119 11.2708 11.2708 11.7143 11.7143 11.7536 11.7536 13.3974 13.3974 k = 0.2467 0.4272-0.0000 ( 4985 PWs) bands (ev): -17.9649 -17.9649 -17.9495 -17.9495 -4.8343 -4.8343 -4.8220 -4.8220 -3.1189 -3.1189 -3.0161 -3.0161 -2.8326 -2.8326 -2.6689 -2.6689 0.0342 0.0342 0.2449 0.2449 4.9717 4.9717 5.3368 5.3368 6.2401 6.2401 6.2793 6.2793 6.3024 6.3024 6.4766 6.4766 6.6143 6.6143 6.7339 6.7339 6.7742 6.7742 6.8283 6.8283 6.8942 6.8942 7.0878 7.0878 7.4953 7.4953 7.8165 7.8165 8.2321 8.2321 8.4327 8.4327 10.3123 10.3123 11.3286 11.3286 11.6534 11.6534 11.7425 11.7425 13.3180 13.3180 k = 0.2400 0.4157-0.0000 ( 4981 PWs) bands (ev): -17.9663 -17.9663 -17.9508 -17.9508 -4.8321 -4.8321 -4.8171 -4.8171 -3.1105 -3.1105 -3.0207 -3.0207 -2.8242 -2.8242 -2.6641 -2.6641 0.0326 0.0326 0.2297 0.2297 4.9770 4.9770 5.3668 5.3668 6.2321 6.2321 6.2784 6.2784 6.3086 6.3086 6.4597 6.4597 6.6146 6.6146 6.7323 6.7323 6.7838 6.7838 6.8309 6.8309 6.9167 6.9167 7.0963 7.0963 7.5540 7.5540 7.8550 7.8550 8.2176 8.2176 8.3956 8.3956 10.3174 10.3174 11.3892 11.3892 11.5909 11.5909 11.7367 11.7367 13.2367 13.2367 k = 0.2333 0.4041-0.0000 ( 4973 PWs) bands (ev): -17.9679 -17.9679 -17.9523 -17.9523 -4.8298 -4.8298 -4.8117 -4.8117 -3.1019 -3.1019 -3.0250 -3.0250 -2.8153 -2.8153 -2.6593 -2.6593 0.0326 0.0326 0.2119 0.2119 4.9863 4.9863 5.3974 5.3974 6.2219 6.2219 6.2758 6.2758 6.3162 6.3162 6.4425 6.4425 6.6147 6.6147 6.7307 6.7307 6.7900 6.7900 6.8318 6.8318 6.9462 6.9462 7.1079 7.1079 7.6169 7.6169 7.8949 7.8949 8.2038 8.2038 8.3543 8.3543 10.3270 10.3270 11.4504 11.4504 11.5315 11.5315 11.7344 11.7344 13.1546 13.1546 k = 0.2267 0.3926-0.0000 ( 4983 PWs) bands (ev): -17.9695 -17.9695 -17.9538 -17.9538 -4.8274 -4.8274 -4.8057 -4.8057 -3.0934 -3.0934 -3.0287 -3.0287 -2.8059 -2.8059 -2.6544 -2.6544 0.0340 0.0340 0.1915 0.1915 4.9994 4.9994 5.4282 5.4282 6.2098 6.2098 6.2718 6.2718 6.3236 6.3236 6.4264 6.4264 6.6147 6.6147 6.7291 6.7291 6.7939 6.7939 6.8315 6.8315 6.9808 6.9808 7.1227 7.1227 7.6834 7.6834 7.9359 7.9359 8.1909 8.1909 8.3093 8.3093 10.3411 10.3411 11.4567 11.4567 11.5307 11.5307 11.7354 11.7354 13.0722 13.0722 k = 0.2200 0.3811-0.0000 ( 4983 PWs) bands (ev): -17.9713 -17.9713 -17.9555 -17.9555 -4.8250 -4.8250 -4.7992 -4.7992 -3.0856 -3.0856 -3.0312 -3.0312 -2.7961 -2.7961 -2.6496 -2.6496 0.0367 0.0367 0.1688 0.1688 5.0164 5.0164 5.4588 5.4588 6.1962 6.1962 6.2665 6.2665 6.3295 6.3295 6.4131 6.4131 6.6146 6.6146 6.7276 6.7276 6.7965 6.7965 6.8306 6.8306 7.0190 7.0190 7.1413 7.1413 7.7529 7.7529 7.9774 7.9774 8.1789 8.1789 8.2617 8.2617 10.3597 10.3597 11.3994 11.3994 11.5974 11.5974 11.7395 11.7395 12.9901 12.9901 k = 0.2133 0.3695-0.0000 ( 4983 PWs) bands (ev): -17.9731 -17.9731 -17.9572 -17.9572 -4.8225 -4.8225 -4.7921 -4.7921 -3.0797 -3.0797 -3.0311 -3.0311 -2.7858 -2.7858 -2.6449 -2.6449 0.0403 0.0403 0.1442 0.1442 5.0370 5.0370 5.4889 5.4889 6.1813 6.1813 6.2597 6.2597 6.3316 6.3316 6.4055 6.4055 6.6144 6.6144 6.7261 6.7261 6.7983 6.7983 6.8294 6.8294 7.0596 7.0596 7.1638 7.1638 7.8245 7.8245 8.0180 8.0180 8.1678 8.1678 8.2139 8.2139 10.3828 10.3828 11.3400 11.3400 11.6692 11.6692 11.7474 11.7474 12.9085 12.9085 k = 0.2067 0.3580-0.0000 ( 4979 PWs) bands (ev): -17.9751 -17.9751 -17.9590 -17.9590 -4.8200 -4.8200 -4.7846 -4.7846 -3.0770 -3.0770 -3.0272 -3.0272 -2.7749 -2.7749 -2.6402 -2.6402 0.0441 0.0441 0.1187 0.1187 5.0610 5.0610 5.5180 5.5180 6.1654 6.1654 6.2508 6.2508 6.3287 6.3287 6.4053 6.4053 6.6143 6.6143 6.7246 6.7246 6.7995 6.7995 6.8282 6.8282 7.1021 7.1021 7.1909 7.1909 7.8973 7.8973 8.0509 8.0509 8.1569 8.1569 8.1741 8.1741 10.4101 10.4101 11.2812 11.2812 11.7337 11.7337 11.7685 11.7685 12.8274 12.8274 k = 0.2000 0.3464-0.0000 ( 4973 PWs) bands (ev): -17.9771 -17.9771 -17.9609 -17.9609 -4.8175 -4.8175 -4.7766 -4.7766 -3.0777 -3.0777 -3.0192 -3.0192 -2.7636 -2.7636 -2.6356 -2.6356 0.0447 0.0447 0.0956 0.0956 5.0881 5.0881 5.5460 5.5460 6.1486 6.1486 6.2397 6.2397 6.3223 6.3223 6.4113 6.4113 6.6144 6.6144 6.7230 6.7230 6.7999 6.7999 6.8275 6.8275 7.1459 7.1459 7.2232 7.2232 7.9674 7.9674 8.0532 8.0532 8.1486 8.1486 8.1668 8.1668 10.4417 10.4417 11.2237 11.2237 11.7579 11.7579 11.8345 11.8345 12.7471 12.7471 k = 0.1933 0.3349-0.0000 ( 4981 PWs) bands (ev): -17.9791 -17.9791 -17.9629 -17.9629 -4.8151 -4.8151 -4.7682 -4.7682 -3.0809 -3.0809 -3.0081 -3.0081 -2.7517 -2.7517 -2.6312 -2.6312 0.0327 0.0327 0.0844 0.0844 5.1180 5.1180 5.5723 5.5723 6.1312 6.1312 6.2263 6.2263 6.3150 6.3150 6.4208 6.4208 6.6145 6.6145 6.7213 6.7213 6.7995 6.7995 6.8275 6.8275 7.1906 7.1906 7.2612 7.2612 7.9890 7.9890 8.0636 8.0636 8.1428 8.1428 8.1990 8.1990 10.4775 10.4775 11.1675 11.1675 11.7720 11.7720 11.9145 11.9145 12.6675 12.6675 k = 0.1867 0.3233-0.0000 ( 4985 PWs) bands (ev): -17.9813 -17.9813 -17.9649 -17.9649 -4.8127 -4.8127 -4.7595 -4.7595 -3.0854 -3.0854 -2.9949 -2.9949 -2.7394 -2.7394 -2.6268 -2.6268 0.0062 0.0062 0.0873 0.0873 5.1504 5.1504 5.5967 5.5967 6.1134 6.1134 6.2109 6.2109 6.3083 6.3083 6.4321 6.4321 6.6150 6.6150 6.7194 6.7194 6.7980 6.7980 6.8287 6.8287 7.2363 7.2363 7.3052 7.3052 7.9396 7.9396 8.1250 8.1250 8.1435 8.1435 8.2467 8.2467 10.5173 10.5173 11.1128 11.1128 11.7862 11.7862 11.9977 11.9977 12.5887 12.5887 k = 0.1800 0.3118-0.0000 ( 4995 PWs) bands (ev): -17.9835 -17.9835 -17.9669 -17.9669 -4.8104 -4.8104 -4.7504 -4.7504 -3.0906 -3.0906 -2.9802 -2.9802 -2.7266 -2.7266 -2.6226 -2.6226 -0.0267 -0.0267 0.0960 0.0960 5.1850 5.1850 5.6190 5.6190 6.0953 6.0953 6.1942 6.1942 6.3024 6.3024 6.4439 6.4439 6.6160 6.6160 6.7174 6.7174 6.7955 6.7955 6.8311 6.8311 7.2835 7.2835 7.3550 7.3550 7.8795 7.8795 8.1302 8.1302 8.2066 8.2066 8.3006 8.3006 10.5610 10.5610 11.0597 11.0597 11.8009 11.8009 12.0823 12.0823 12.5105 12.5105 k = 0.1733 0.3002-0.0000 ( 4987 PWs) bands (ev): -17.9857 -17.9857 -17.9690 -17.9690 -4.8082 -4.8082 -4.7411 -4.7411 -3.0961 -3.0961 -2.9643 -2.9643 -2.7134 -2.7134 -2.6185 -2.6185 -0.0624 -0.0624 0.1071 0.1071 5.2213 5.2213 5.6390 5.6390 6.0770 6.0770 6.1769 6.1769 6.2973 6.2973 6.4555 6.4555 6.6176 6.6176 6.7152 6.7152 6.7921 6.7921 6.8344 6.8344 7.3331 7.3331 7.4099 7.4099 7.8165 7.8165 8.1278 8.1278 8.2779 8.2779 8.3589 8.3589 10.6085 10.6085 11.0082 11.0082 11.8158 11.8158 12.1677 12.1677 12.4331 12.4331 k = 0.1667 0.2887-0.0000 ( 4983 PWs) bands (ev): -17.9880 -17.9880 -17.9712 -17.9712 -4.8062 -4.8062 -4.7316 -4.7316 -3.1018 -3.1018 -2.9475 -2.9475 -2.6997 -2.6997 -2.6145 -2.6145 -0.1000 -0.1000 0.1197 0.1197 5.2591 5.2591 5.6565 5.6565 6.0588 6.0588 6.1596 6.1596 6.2926 6.2926 6.4663 6.4663 6.6201 6.6201 6.7129 6.7129 6.7882 6.7882 6.8385 6.8385 7.3856 7.3856 7.4692 7.4692 7.7525 7.7525 8.1266 8.1266 8.3473 8.3473 8.4210 8.4210 10.6595 10.6595 10.9583 10.9583 11.8304 11.8304 12.2530 12.2530 12.3564 12.3564 k = 0.1600 0.2771-0.0000 ( 4995 PWs) bands (ev): -17.9903 -17.9903 -17.9733 -17.9733 -4.8044 -4.8044 -4.7219 -4.7219 -3.1074 -3.1074 -2.9298 -2.9298 -2.6857 -2.6857 -2.6107 -2.6107 -0.1388 -0.1388 0.1333 0.1333 5.2979 5.2979 5.6715 5.6715 6.0405 6.0405 6.1424 6.1424 6.2881 6.2881 6.4757 6.4757 6.6235 6.6235 6.7104 6.7104 6.7837 6.7837 6.8431 6.8431 7.4416 7.4416 7.5320 7.5320 7.6893 7.6893 8.1270 8.1270 8.4144 8.4144 8.4862 8.4862 10.7139 10.7139 10.9104 10.9104 11.8439 11.8439 12.2795 12.2795 12.3385 12.3385 k = 0.1533 0.2656-0.0000 ( 4999 PWs) bands (ev): -17.9926 -17.9926 -17.9755 -17.9755 -4.8027 -4.8027 -4.7122 -4.7122 -3.1128 -3.1128 -2.9113 -2.9113 -2.6714 -2.6714 -2.6070 -2.6070 -0.1786 -0.1786 0.1478 0.1478 5.3374 5.3374 5.6840 5.6840 6.0225 6.0225 6.1259 6.1259 6.2837 6.2837 6.4834 6.4834 6.6280 6.6280 6.7079 6.7079 6.7790 6.7790 6.8481 6.8481 7.5001 7.5001 7.5890 7.5890 7.6377 7.6377 8.1291 8.1291 8.4799 8.4799 8.5531 8.5531 10.7706 10.7706 10.8651 10.8651 11.8558 11.8558 12.2046 12.2046 12.4208 12.4208 k = 0.1467 0.2540-0.0000 ( 4983 PWs) bands (ev): -17.9950 -17.9950 -17.9777 -17.9777 -4.8013 -4.8013 -4.7024 -4.7024 -3.1181 -3.1181 -2.8921 -2.8921 -2.6568 -2.6568 -2.6033 -2.6033 -0.2192 -0.2192 0.1628 0.1628 5.3771 5.3771 5.6941 5.6941 6.0048 6.0048 6.1103 6.1103 6.2791 6.2791 6.4891 6.4891 6.6337 6.6337 6.7054 6.7054 6.7741 6.7741 6.8533 6.8533 7.5364 7.5364 7.5828 7.5828 7.6806 7.6806 8.1330 8.1330 8.5448 8.5448 8.6201 8.6201 10.8067 10.8067 10.8453 10.8453 11.8650 11.8650 12.1304 12.1304 12.5005 12.5005 k = 0.1400 0.2425-0.0000 ( 4987 PWs) bands (ev): -17.9973 -17.9973 -17.9799 -17.9799 -4.8001 -4.8001 -4.6926 -4.6926 -3.1231 -3.1231 -2.8723 -2.8723 -2.6420 -2.6420 -2.5997 -2.5997 -0.2602 -0.2602 0.1783 0.1783 5.4168 5.4168 5.7019 5.7019 5.9875 5.9875 6.0954 6.0954 6.2740 6.2740 6.4928 6.4928 6.6403 6.6403 6.7029 6.7029 6.7692 6.7692 6.8585 6.8585 7.4860 7.4860 7.6411 7.6411 7.7550 7.7550 8.1387 8.1387 8.6096 8.6096 8.6860 8.6860 10.7707 10.7707 10.9021 10.9021 11.8708 11.8708 12.0573 12.0573 12.5758 12.5758 k = 0.1333 0.2309-0.0000 ( 4993 PWs) bands (ev): -17.9996 -17.9996 -17.9820 -17.9820 -4.7991 -4.7991 -4.6829 -4.6829 -3.1279 -3.1279 -2.8520 -2.8520 -2.6270 -2.6270 -2.5962 -2.5962 -0.3016 -0.3016 0.1940 0.1940 5.4561 5.4561 5.7076 5.7076 5.9707 5.9707 6.0814 6.0814 6.2685 6.2685 6.4946 6.4946 6.6477 6.6477 6.7004 6.7004 6.7642 6.7642 6.8637 6.8637 7.4263 7.4263 7.7128 7.7128 7.8350 7.8350 8.1463 8.1463 8.6748 8.6748 8.7499 8.7499 10.7295 10.7295 10.9686 10.9686 11.8722 11.8722 11.9856 11.9856 12.6449 12.6449 k = 0.1267 0.2194-0.0000 ( 4997 PWs) bands (ev): -18.0018 -18.0018 -17.9842 -17.9842 -4.7984 -4.7984 -4.6734 -4.6734 -3.1323 -3.1323 -2.8312 -2.8312 -2.6120 -2.6120 -2.5927 -2.5927 -0.3430 -0.3430 0.2099 0.2099 5.4946 5.4946 5.7114 5.7114 5.9545 5.9545 6.0684 6.0684 6.2624 6.2624 6.4946 6.4946 6.6554 6.6554 6.6980 6.6980 6.7592 6.7592 6.8688 6.8688 7.3674 7.3674 7.7893 7.7893 7.9195 7.9195 8.1557 8.1557 8.7405 8.7405 8.8114 8.8114 10.6891 10.6891 11.0383 11.0383 11.8681 11.8681 11.9159 11.9159 12.7056 12.7056 k = 0.1200 0.2078-0.0000 ( 4995 PWs) bands (ev): -18.0041 -18.0041 -17.9863 -17.9863 -4.7979 -4.7979 -4.6641 -4.6641 -3.1363 -3.1363 -2.8102 -2.8102 -2.5970 -2.5970 -2.5891 -2.5891 -0.3844 -0.3844 0.2259 0.2259 5.5320 5.5320 5.7136 5.7136 5.9391 5.9391 6.0563 6.0563 6.2555 6.2555 6.4932 6.4932 6.6630 6.6630 6.6957 6.6957 6.7544 6.7544 6.8738 6.8738 7.3107 7.3107 7.8697 7.8697 8.0083 8.0083 8.1668 8.1668 8.8063 8.8063 8.8705 8.8705 10.6499 10.6499 11.1106 11.1106 11.8451 11.8451 11.8612 11.8612 12.7521 12.7521 k = 0.1133 0.1963-0.0000 ( 5003 PWs) bands (ev): -18.0063 -18.0063 -17.9883 -17.9883 -4.7976 -4.7976 -4.6550 -4.6550 -3.1401 -3.1401 -2.7890 -2.7890 -2.5857 -2.5857 -2.5816 -2.5816 -0.4254 -0.4254 0.2417 0.2417 5.5681 5.5681 5.7143 5.7143 5.9244 5.9244 6.0450 6.0450 6.2478 6.2478 6.4904 6.4904 6.6703 6.6703 6.6935 6.6935 6.7499 6.7499 6.8784 6.8784 7.2567 7.2567 7.9535 7.9535 8.1012 8.1012 8.1797 8.1797 8.8711 8.8711 8.9276 8.9276 10.6121 10.6121 11.1851 11.1851 11.7808 11.7808 11.8435 11.8435 12.7571 12.7571 k = 0.1067 0.1848-0.0000 ( 5001 PWs) bands (ev): -18.0084 -18.0084 -17.9903 -17.9903 -4.7976 -4.7976 -4.6462 -4.6462 -3.1435 -3.1435 -2.7679 -2.7679 -2.5817 -2.5817 -2.5669 -2.5669 -0.4660 -0.4660 0.2573 0.2573 5.6025 5.6025 5.7140 5.7140 5.9106 5.9106 6.0346 6.0346 6.2391 6.2391 6.4867 6.4867 6.6767 6.6767 6.6915 6.6915 6.7457 6.7457 6.8827 6.8827 7.2060 7.2060 8.0402 8.0402 8.1905 8.1905 8.2018 8.2018 8.9327 8.9327 8.9850 8.9850 10.5756 10.5756 11.2613 11.2613 11.7174 11.7174 11.8204 11.8204 12.7118 12.7118 k = 0.1000 0.1732-0.0000 ( 4997 PWs) bands (ev): -18.0105 -18.0105 -17.9922 -17.9922 -4.7977 -4.7977 -4.6377 -4.6377 -3.1465 -3.1465 -2.7471 -2.7471 -2.5775 -2.5775 -2.5522 -2.5522 -0.5059 -0.5059 0.2726 0.2726 5.6348 5.6348 5.7129 5.7129 5.8980 5.8980 6.0251 6.0251 6.2295 6.2295 6.4821 6.4821 6.6818 6.6818 6.6898 6.6898 6.7419 6.7419 6.8867 6.8867 7.1591 7.1591 8.1290 8.1290 8.2096 8.2096 8.3000 8.3000 8.9875 8.9875 9.0458 9.0458 10.5404 10.5404 11.3388 11.3388 11.6564 11.6564 11.7905 11.7905 12.6571 12.6571 k = 0.0933 0.1617-0.0000 ( 4997 PWs) bands (ev): -18.0124 -18.0124 -17.9941 -17.9941 -4.7980 -4.7980 -4.6297 -4.6297 -3.1492 -3.1492 -2.7270 -2.7270 -2.5728 -2.5728 -2.5379 -2.5379 -0.5448 -0.5448 0.2874 0.2874 5.6644 5.6644 5.7115 5.7115 5.8865 5.8865 6.0165 6.0165 6.2189 6.2189 6.4770 6.4770 6.6840 6.6840 6.6900 6.6900 6.7386 6.7386 6.8901 6.8901 7.1162 7.1162 8.2113 8.2113 8.2358 8.2358 8.4047 8.4047 9.0338 9.0338 9.1115 9.1115 10.5066 10.5066 11.4170 11.4170 11.5980 11.5980 11.7539 11.7539 12.6026 12.6026 k = 0.0867 0.1501-0.0000 ( 4993 PWs) bands (ev): -18.0143 -18.0143 -17.9959 -17.9959 -4.7985 -4.7985 -4.6220 -4.6220 -3.1516 -3.1516 -2.7077 -2.7077 -2.5675 -2.5675 -2.5240 -2.5240 -0.5827 -0.5827 0.3017 0.3017 5.6888 5.6888 5.7121 5.7121 5.8765 5.8765 6.0086 6.0086 6.2072 6.2072 6.4714 6.4714 6.6827 6.6827 6.6923 6.6923 6.7360 6.7360 6.8930 6.8930 7.0777 7.0777 8.2396 8.2396 8.3185 8.3185 8.5132 8.5132 9.0731 9.0731 9.1805 9.1805 10.4742 10.4742 11.4928 11.4928 11.5444 11.5444 11.7112 11.7112 12.5501 12.5501 k = 0.0800 0.1386-0.0000 ( 4991 PWs) bands (ev): -18.0161 -18.0161 -17.9975 -17.9975 -4.7991 -4.7991 -4.6148 -4.6148 -3.1537 -3.1537 -2.6898 -2.6898 -2.5613 -2.5613 -2.5105 -2.5105 -0.6192 -0.6192 0.3153 0.3153 5.6982 5.6982 5.7243 5.7243 5.8680 5.8680 6.0018 6.0018 6.1947 6.1947 6.4656 6.4656 6.6802 6.6802 6.6943 6.6943 6.7341 6.7341 6.8953 6.8953 7.0438 7.0438 8.2584 8.2584 8.4125 8.4125 8.6251 8.6251 9.1067 9.1067 9.2511 9.2511 10.4433 10.4433 11.4823 11.4823 11.5784 11.5784 11.6630 11.6630 12.5001 12.5001 k = 0.0733 0.1270-0.0000 ( 4999 PWs) bands (ev): -18.0178 -18.0178 -17.9991 -17.9991 -4.7998 -4.7998 -4.6081 -4.6081 -3.1555 -3.1555 -2.6737 -2.6737 -2.5540 -2.5540 -2.4977 -2.4977 -0.6541 -0.6541 0.3281 0.3281 5.6969 5.6969 5.7435 5.7435 5.8614 5.8614 5.9959 5.9959 6.1815 6.1815 6.4597 6.4597 6.6773 6.6773 6.6955 6.6955 6.7326 6.7326 6.8967 6.8967 7.0147 7.0147 8.2767 8.2767 8.5076 8.5076 8.7400 8.7400 9.1356 9.1356 9.3223 9.3223 10.4139 10.4139 11.4291 11.4291 11.6082 11.6082 11.6568 11.6568 12.4531 12.4531 k = 0.0667 0.1155-0.0000 ( 4995 PWs) bands (ev): -18.0194 -18.0194 -18.0006 -18.0006 -4.8005 -4.8005 -4.6019 -4.6019 -3.1571 -3.1571 -2.6596 -2.6596 -2.5454 -2.5454 -2.4856 -2.4856 -0.6872 -0.6872 0.3402 0.3402 5.6938 5.6938 5.7606 5.7606 5.8570 5.8570 5.9912 5.9912 6.1677 6.1677 6.4538 6.4538 6.6740 6.6740 6.6960 6.6960 6.7318 6.7318 6.8972 6.8972 6.9905 6.9905 8.2949 8.2949 8.6028 8.6028 8.8575 8.8575 9.1603 9.1603 9.3931 9.3931 10.3863 10.3863 11.3748 11.3748 11.5518 11.5518 11.7323 11.7323 12.4087 12.4087 k = 0.0600 0.1039-0.0000 ( 4999 PWs) bands (ev): -18.0208 -18.0208 -18.0019 -18.0019 -4.8013 -4.8013 -4.5963 -4.5963 -3.1584 -3.1584 -2.6479 -2.6479 -2.5356 -2.5356 -2.4743 -2.4743 -0.7183 -0.7183 0.3513 0.3513 5.6902 5.6902 5.7738 5.7738 5.8550 5.8550 5.9878 5.9878 6.1537 6.1537 6.4480 6.4480 6.6704 6.6704 6.6959 6.6959 6.7312 6.7312 6.8964 6.8964 6.9712 6.9712 8.3125 8.3125 8.6969 8.6969 8.9771 8.9771 9.1816 9.1816 9.4627 9.4627 10.3606 10.3606 11.3190 11.3190 11.4923 11.4923 11.8060 11.8060 12.3631 12.3631 k = 0.0533 0.0924-0.0000 ( 5009 PWs) bands (ev): -18.0221 -18.0221 -18.0032 -18.0032 -4.8021 -4.8021 -4.5911 -4.5911 -3.1595 -3.1595 -2.6385 -2.6385 -2.5248 -2.5248 -2.4639 -2.4639 -0.7470 -0.7470 0.3614 0.3614 5.6865 5.6865 5.7828 5.7828 5.8553 5.8553 5.9857 5.9857 6.1399 6.1399 6.4424 6.4424 6.6667 6.6667 6.6955 6.6955 6.7309 6.7309 6.8941 6.8941 6.9568 6.9568 8.3294 8.3294 8.7889 8.7889 9.0975 9.0975 9.2001 9.2001 9.5303 9.5303 10.3368 10.3368 11.2602 11.2602 11.4313 11.4313 11.8761 11.8761 12.2624 12.2624 k = 0.0467 0.0808-0.0000 ( 4997 PWs) bands (ev): -18.0233 -18.0233 -18.0043 -18.0043 -4.8029 -4.8029 -4.5866 -4.5866 -3.1605 -3.1605 -2.6311 -2.6311 -2.5135 -2.5135 -2.4544 -2.4544 -0.7732 -0.7732 0.3706 0.3706 5.6829 5.6829 5.7883 5.7883 5.8573 5.8573 5.9850 5.9850 6.1265 6.1265 6.4373 6.4373 6.6630 6.6630 6.6949 6.6949 6.7308 6.7308 6.8904 6.8904 6.9470 6.9470 8.3452 8.3452 8.8775 8.8775 9.2034 9.2034 9.2308 9.2308 9.5949 9.5949 10.3153 10.3153 11.1971 11.1971 11.3705 11.3705 11.9409 11.9409 12.1495 12.1495 k = 0.0400 0.0693-0.0000 ( 4995 PWs) bands (ev): -18.0243 -18.0243 -18.0052 -18.0052 -4.8037 -4.8037 -4.5826 -4.5826 -3.1612 -3.1612 -2.6255 -2.6255 -2.5023 -2.5023 -2.4461 -2.4461 -0.7966 -0.7966 0.3786 0.3786 5.6795 5.6795 5.7911 5.7911 5.8599 5.8599 5.9855 5.9855 6.1139 6.1139 6.4327 6.4327 6.6594 6.6594 6.6942 6.6942 6.7308 6.7308 6.8858 6.8858 6.9407 6.9407 8.3597 8.3597 8.9610 8.9610 9.2241 9.2241 9.3436 9.3436 9.6552 9.6552 10.2961 10.2961 11.1284 11.1284 11.3117 11.3117 11.9963 11.9963 12.0508 12.0508 k = 0.0333 0.0577-0.0000 ( 4989 PWs) bands (ev): -18.0252 -18.0252 -18.0060 -18.0060 -4.8043 -4.8043 -4.5793 -4.5793 -3.1618 -3.1618 -2.6212 -2.6212 -2.4918 -2.4918 -2.4389 -2.4389 -0.8169 -0.8169 0.3854 0.3854 5.6765 5.6765 5.7924 5.7924 5.8622 5.8622 5.9870 5.9870 6.1026 6.1026 6.4286 6.4286 6.6561 6.6561 6.6935 6.6935 6.7308 6.7308 6.8811 6.8811 6.9370 6.9370 8.3724 8.3724 9.0373 9.0373 9.2353 9.2353 9.4613 9.4613 9.7099 9.7099 10.2794 10.2794 11.0543 11.0543 11.2567 11.2567 11.9610 11.9610 12.0107 12.0108 k = 0.0267 0.0462-0.0000 ( 4993 PWs) bands (ev): -18.0259 -18.0259 -18.0067 -18.0067 -4.8049 -4.8049 -4.5765 -4.5765 -3.1623 -3.1623 -2.6181 -2.6181 -2.4825 -2.4825 -2.4329 -2.4329 -0.8338 -0.8338 0.3911 0.3911 5.6738 5.6738 5.7929 5.7929 5.8640 5.8640 5.9891 5.9891 6.0928 6.0928 6.4251 6.4251 6.6533 6.6533 6.6928 6.6928 6.7308 6.7308 6.8768 6.8768 6.9349 6.9349 8.3832 8.3832 9.1038 9.1038 9.2450 9.2450 9.5738 9.5738 9.7576 9.7576 10.2653 10.2653 10.9766 10.9766 11.2076 11.2076 11.8931 11.8931 11.9360 11.9360 k = 0.0200 0.0346-0.0000 ( 4989 PWs) bands (ev): -18.0265 -18.0265 -18.0073 -18.0073 -4.8054 -4.8054 -4.5743 -4.5743 -3.1627 -3.1627 -2.6159 -2.6159 -2.4749 -2.4749 -2.4281 -2.4281 -0.8473 -0.8473 0.3955 0.3955 5.6716 5.6716 5.7931 5.7931 5.8651 5.8651 5.9912 5.9912 6.0849 6.0849 6.4224 6.4224 6.6510 6.6510 6.6923 6.6923 6.7309 6.7309 6.8733 6.8733 6.9336 6.9336 8.3919 8.3919 9.1570 9.1570 9.2546 9.2546 9.6762 9.6762 9.7970 9.7970 10.2537 10.2537 10.8999 10.8999 11.1665 11.1665 11.8407 11.8407 11.8711 11.8711 k = 0.0133 0.0231-0.0000 ( 4985 PWs) bands (ev): -18.0269 -18.0269 -18.0076 -18.0076 -4.8057 -4.8057 -4.5728 -4.5728 -3.1629 -3.1629 -2.6144 -2.6144 -2.4692 -2.4692 -2.4247 -2.4247 -0.8570 -0.8570 0.3987 0.3987 5.6701 5.6701 5.7931 5.7931 5.8658 5.8658 5.9930 5.9930 6.0790 6.0790 6.4204 6.4204 6.6493 6.6493 6.6919 6.6919 6.7310 6.7310 6.8708 6.8708 6.9329 6.9329 8.3983 8.3983 9.1934 9.1934 9.2654 9.2654 9.7605 9.7605 9.8278 9.8278 10.2448 10.2448 10.8318 10.8318 11.1355 11.1355 11.8032 11.8032 11.8233 11.8233 k = 0.0067 0.0115-0.0000 ( 4981 PWs) bands (ev): -18.0271 -18.0271 -18.0079 -18.0079 -4.8059 -4.8059 -4.5719 -4.5719 -3.1631 -3.1631 -2.6135 -2.6135 -2.4656 -2.4656 -2.4227 -2.4227 -0.8629 -0.8629 0.4007 0.4007 5.6691 5.6691 5.7931 5.7931 5.8661 5.8661 5.9943 5.9943 6.0754 6.0754 6.4192 6.4192 6.6483 6.6483 6.6916 6.6916 6.7311 6.7311 6.8692 6.8692 6.9326 6.9326 8.4021 8.4021 9.2122 9.2122 9.2762 9.2762 9.8140 9.8140 9.8514 9.8514 10.2390 10.2390 10.7833 10.7833 11.1162 11.1162 11.7795 11.7795 11.7954 11.7954 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -18.0272 -18.0272 -18.0079 -18.0079 -4.8060 -4.8060 -4.5716 -4.5716 -3.1631 -3.1631 -2.6132 -2.6132 -2.4644 -2.4644 -2.4220 -2.4220 -0.8649 -0.8649 0.4013 0.4013 5.6689 5.6689 5.7932 5.7932 5.8662 5.8662 5.9948 5.9948 6.0742 6.0742 6.4188 6.4188 6.6480 6.6480 6.6916 6.6916 6.7312 6.7312 6.8688 6.8688 6.9325 6.9325 8.4034 8.4034 9.2175 9.2175 9.2809 9.2809 9.8297 9.8297 9.8633 9.8633 10.2369 10.2369 10.7654 10.7654 11.1096 11.1096 11.7711 11.7711 11.7866 11.7866 k = 0.0000 0.0000 0.0000 ( 4951 PWs) bands (ev): -18.0272 -18.0272 -18.0079 -18.0079 -4.8060 -4.8060 -4.5716 -4.5716 -3.1631 -3.1631 -2.6132 -2.6132 -2.4644 -2.4644 -2.4220 -2.4220 -0.8649 -0.8649 0.4013 0.4013 5.6689 5.6689 5.7932 5.7932 5.8662 5.8662 5.9948 5.9948 6.0742 6.0742 6.4188 6.4188 6.6480 6.6480 6.6916 6.6916 6.7312 6.7312 6.8688 6.8688 6.9325 6.9325 8.4034 8.4034 9.2175 9.2175 9.2809 9.2809 9.8297 9.8297 9.8633 9.8633 10.2369 10.2369 10.7654 10.7654 11.1096 11.1096 11.7711 11.7711 11.7866 11.7866 k = 0.0000 0.0000 0.0131 ( 4969 PWs) bands (ev): -18.0272 -18.0272 -18.0080 -18.0080 -4.8055 -4.8055 -4.5720 -4.5720 -3.1625 -3.1625 -2.6151 -2.6151 -2.4644 -2.4644 -2.4221 -2.4221 -0.8618 -0.8618 0.3991 0.3991 5.6692 5.6692 5.7935 5.7935 5.8658 5.8658 5.9943 5.9943 6.0760 6.0760 6.4187 6.4187 6.6483 6.6483 6.6916 6.6916 6.7314 6.7314 6.8684 6.8684 6.9330 6.9330 8.3971 8.3971 9.2184 9.2184 9.2817 9.2817 9.8279 9.8279 9.8616 9.8616 10.2424 10.2424 10.7678 10.7678 11.1092 11.1092 11.7731 11.7731 11.7887 11.7887 k = 0.0000 0.0000 0.0261 ( 4987 PWs) bands (ev): -18.0271 -18.0271 -18.0081 -18.0081 -4.8040 -4.8040 -4.5731 -4.5731 -3.1608 -3.1608 -2.6209 -2.6209 -2.4641 -2.4641 -2.4223 -2.4223 -0.8525 -0.8525 0.3926 0.3926 5.6703 5.6703 5.7946 5.7946 5.8646 5.8646 5.9931 5.9931 6.0813 6.0813 6.4185 6.4185 6.6493 6.6493 6.6917 6.6917 6.7320 6.7320 6.8675 6.8675 6.9348 6.9348 8.3786 8.3786 9.2209 9.2209 9.2842 9.2842 9.8226 9.8226 9.8567 9.8567 10.2587 10.2587 10.7750 10.7750 11.1078 11.1078 11.7791 11.7791 11.7950 11.7950 k = 0.0000 0.0000 0.0392 ( 4999 PWs) bands (ev): -18.0269 -18.0269 -18.0083 -18.0083 -4.8016 -4.8016 -4.5751 -4.5751 -3.1578 -3.1578 -2.6302 -2.6302 -2.4637 -2.4637 -2.4227 -2.4227 -0.8373 -0.8373 0.3818 0.3818 5.6721 5.6721 5.7965 5.7965 5.8627 5.8627 5.9912 5.9912 6.0899 6.0899 6.4180 6.4180 6.6511 6.6511 6.6919 6.6919 6.7331 6.7331 6.8660 6.8660 6.9378 6.9378 8.3486 8.3486 9.2252 9.2252 9.2883 9.2883 9.8140 9.8140 9.8485 9.8485 10.2848 10.2848 10.7872 10.7872 11.1054 11.1054 11.7893 11.7893 11.8056 11.8056 k = 0.0000 0.0000 0.0523 ( 4987 PWs) bands (ev): -18.0266 -18.0266 -18.0085 -18.0085 -4.7983 -4.7983 -4.5778 -4.5778 -3.1537 -3.1537 -2.6430 -2.6430 -2.4632 -2.4632 -2.4233 -2.4233 -0.8165 -0.8165 0.3668 0.3668 5.6747 5.6747 5.7991 5.7991 5.8601 5.8601 5.9885 5.9885 6.1017 6.1017 6.4175 6.4175 6.6536 6.6536 6.6923 6.6923 6.7348 6.7348 6.8641 6.8641 6.9425 6.9425 8.3084 8.3084 9.2312 9.2312 9.2941 9.2941 9.8021 9.8021 9.8374 9.8374 10.3193 10.3193 10.8045 10.8045 11.1020 11.1020 11.8034 11.8034 11.8204 11.8204 k = 0.0000 0.0000 0.0654 ( 4993 PWs) bands (ev): -18.0263 -18.0263 -18.0089 -18.0089 -4.7940 -4.7940 -4.5812 -4.5812 -3.1483 -3.1483 -2.6588 -2.6588 -2.4625 -2.4625 -2.4240 -2.4240 -0.7903 -0.7903 0.3477 0.3477 5.6780 5.6780 5.8024 5.8024 5.8568 5.8568 5.9850 5.9850 6.1164 6.1164 6.4166 6.4166 6.6566 6.6566 6.6927 6.6927 6.7368 6.7368 6.8615 6.8615 6.9487 6.9487 8.2594 8.2594 9.2389 9.2389 9.3015 9.3015 9.7874 9.7874 9.8235 9.8235 10.3603 10.3603 10.8273 10.8273 11.0975 11.0975 11.8216 11.8216 11.8393 11.8393 k = 0.0000 0.0000 0.0784 ( 4993 PWs) bands (ev): -18.0259 -18.0259 -18.0092 -18.0092 -4.7888 -4.7888 -4.5855 -4.5855 -3.1418 -3.1418 -2.6772 -2.6772 -2.4616 -2.4616 -2.4249 -2.4249 -0.7593 -0.7593 0.3247 0.3247 5.6819 5.6819 5.8064 5.8064 5.8528 5.8528 5.9809 5.9809 6.1335 6.1335 6.4155 6.4155 6.6602 6.6602 6.6933 6.6933 6.7393 6.7393 6.8584 6.8584 6.9570 6.9570 8.2030 8.2030 9.2482 9.2482 9.3105 9.3105 9.7700 9.7700 9.8072 9.8072 10.4060 10.4060 10.8558 10.8558 11.0919 11.0919 11.8437 11.8437 11.8625 11.8625 k = 0.0000 0.0000 0.0915 ( 4987 PWs) bands (ev): -18.0255 -18.0255 -18.0097 -18.0097 -4.7829 -4.7829 -4.5904 -4.5904 -3.1340 -3.1340 -2.6978 -2.6978 -2.4606 -2.4606 -2.4259 -2.4259 -0.7240 -0.7240 0.2979 0.2979 5.6865 5.6865 5.8110 5.8110 5.8481 5.8481 5.9761 5.9761 6.1527 6.1527 6.4143 6.4143 6.6642 6.6642 6.6939 6.6939 6.7423 6.7423 6.8548 6.8548 6.9676 6.9676 8.1408 8.1408 9.2591 9.2591 9.3210 9.3210 9.7503 9.7503 9.7887 9.7887 10.4545 10.4545 10.8904 10.8904 11.0851 11.0851 11.8699 11.8699 11.8897 11.8897 k = 0.0000 0.0000 0.1046 ( 4981 PWs) bands (ev): -18.0250 -18.0250 -18.0102 -18.0102 -4.7761 -4.7761 -4.5960 -4.5960 -3.1250 -3.1250 -2.7202 -2.7202 -2.4595 -2.4595 -2.4270 -2.4270 -0.6847 -0.6847 0.2675 0.2675 5.6917 5.6917 5.8163 5.8163 5.8429 5.8429 5.9707 5.9707 6.1733 6.1733 6.4127 6.4127 6.6686 6.6686 6.6946 6.6946 6.7457 6.7457 6.8508 6.8508 6.9813 6.9813 8.0739 8.0739 9.2716 9.2716 9.3330 9.3330 9.7286 9.7286 9.7683 9.7683 10.5040 10.5040 10.9315 10.9315 11.0769 11.0769 11.8999 11.8999 11.9211 11.9211 k = 0.0000 0.0000 0.1177 ( 4975 PWs) bands (ev): -18.0244 -18.0244 -18.0108 -18.0108 -4.7687 -4.7687 -4.6023 -4.6023 -3.1147 -3.1147 -2.7439 -2.7439 -2.4583 -2.4583 -2.4283 -2.4283 -0.6421 -0.6421 0.2337 0.2337 5.6975 5.6975 5.8222 5.8222 5.8370 5.8370 5.9647 5.9647 6.1950 6.1950 6.4106 6.4106 6.6732 6.6732 6.6953 6.6953 6.7494 6.7494 6.8465 6.8465 6.9983 6.9983 8.0036 8.0036 9.2857 9.2857 9.3465 9.3465 9.7053 9.7053 9.7464 9.7464 10.5531 10.5531 10.9792 10.9792 11.0672 11.0672 11.9336 11.9336 11.9566 11.9566 k = 0.0000 0.0000 0.1307 ( 4975 PWs) bands (ev): -18.0238 -18.0238 -18.0114 -18.0114 -4.7606 -4.7606 -4.6093 -4.6093 -3.1032 -3.1032 -2.7687 -2.7687 -2.4569 -2.4569 -2.4296 -2.4296 -0.5967 -0.5967 0.1967 0.1967 5.7038 5.7038 5.8286 5.8286 5.8307 5.8307 5.9581 5.9581 6.2170 6.2170 6.4080 6.4080 6.6776 6.6776 6.6961 6.6961 6.7535 6.7535 6.8417 6.8417 7.0192 7.0192 7.9310 7.9310 9.3012 9.3012 9.3615 9.3615 9.6808 9.6808 9.7232 9.7232 10.6007 10.6007 11.0335 11.0335 11.0559 11.0559 11.9709 11.9709 11.9960 11.9960 k = 0.0000 0.0000 0.1438 ( 4975 PWs) bands (ev): -18.0231 -18.0231 -18.0121 -18.0121 -4.7519 -4.7519 -4.6168 -4.6168 -3.0904 -3.0904 -2.7940 -2.7940 -2.4555 -2.4555 -2.4311 -2.4311 -0.5488 -0.5488 0.1569 0.1569 5.7106 5.7106 5.8238 5.8238 5.8355 5.8355 5.9511 5.9511 6.2389 6.2389 6.4049 6.4049 6.6820 6.6820 6.6968 6.6968 6.7579 6.7579 6.8367 6.8367 7.0444 7.0444 7.8571 7.8571 9.3181 9.3181 9.3777 9.3777 9.6552 9.6552 9.6991 9.6991 10.6461 10.6461 11.0430 11.0430 11.0941 11.0941 12.0108 12.0108 12.0395 12.0395 k = 0.0000 0.0000 0.1569 ( 4981 PWs) bands (ev): -18.0224 -18.0224 -18.0128 -18.0128 -4.7427 -4.7427 -4.6249 -4.6249 -3.0763 -3.0763 -2.8196 -2.8196 -2.4539 -2.4539 -2.4327 -2.4327 -0.4989 -0.4989 0.1143 0.1143 5.7178 5.7178 5.8165 5.8165 5.8428 5.8428 5.9436 5.9436 6.2601 6.2601 6.4010 6.4010 6.6859 6.6859 6.6975 6.6975 6.7626 6.7626 6.8313 6.8313 7.0745 7.0745 7.7825 7.7825 9.3364 9.3364 9.3953 9.3953 9.6290 9.6290 9.6743 9.6743 10.6890 10.6890 11.0283 11.0283 11.1602 11.1602 12.0493 12.0493 12.0867 12.0867 k = 0.0000 0.0000 0.1700 ( 4981 PWs) bands (ev): -18.0217 -18.0217 -18.0135 -18.0135 -4.7332 -4.7332 -4.6336 -4.6336 -3.0610 -3.0610 -2.8453 -2.8453 -2.4523 -2.4523 -2.4343 -2.4343 -0.4476 -0.4476 0.0694 0.0694 5.7255 5.7255 5.8088 5.8088 5.8506 5.8506 5.9357 5.9357 6.2803 6.2803 6.3964 6.3964 6.6894 6.6894 6.6981 6.6981 6.7676 6.7676 6.8257 6.8257 7.1098 7.1098 7.7081 7.7081 9.3560 9.3560 9.4141 9.4141 9.6023 9.6023 9.6490 9.6490 10.7294 10.7294 11.0116 11.0116 11.2312 11.2312 12.0495 12.0495 12.1377 12.1377 k = 0.0000 0.0000 0.1830 ( 4980 PWs) bands (ev): -18.0209 -18.0209 -18.0143 -18.0143 -4.7233 -4.7233 -4.6426 -4.6426 -3.0443 -3.0443 -2.8706 -2.8706 -2.4506 -2.4506 -2.4361 -2.4361 -0.3951 -0.3951 0.0224 0.0224 5.7334 5.7334 5.8009 5.8009 5.8586 5.8586 5.9275 5.9275 6.2990 6.2990 6.3909 6.3909 6.6924 6.6924 6.6986 6.6986 6.7729 6.7729 6.8199 6.8199 7.1503 7.1503 7.6346 7.6346 9.3768 9.3768 9.4341 9.4341 9.5755 9.5755 9.6236 9.6236 10.7675 10.7675 10.9929 10.9929 11.3063 11.3063 11.9783 11.9783 12.1769 12.1769 k = 0.0000 0.0000 0.1961 ( 4980 PWs) bands (ev): -18.0201 -18.0201 -18.0151 -18.0151 -4.7132 -4.7132 -4.6521 -4.6521 -3.0265 -3.0265 -2.8955 -2.8955 -2.4488 -2.4488 -2.4378 -2.4378 -0.3418 -0.3418 -0.0265 -0.0265 5.7416 5.7416 5.7926 5.7926 5.8670 5.8670 5.9191 5.9191 6.3161 6.3161 6.3844 6.3844 6.6948 6.6948 6.6990 6.6990 6.7784 6.7784 6.8140 6.8140 7.1960 7.1960 7.5627 7.5627 9.3988 9.3988 9.4551 9.4551 9.5488 9.5488 9.5982 9.5982 10.8032 10.8032 10.9722 10.9722 11.3847 11.3847 11.8936 11.8936 12.2304 12.2304 k = 0.0000 0.0000 0.2092 ( 4980 PWs) bands (ev): -18.0193 -18.0193 -18.0159 -18.0159 -4.7029 -4.7029 -4.6619 -4.6619 -3.0073 -3.0073 -2.9198 -2.9198 -2.4470 -2.4470 -2.4397 -2.4397 -0.2882 -0.2882 -0.0770 -0.0770 5.7500 5.7500 5.7842 5.7842 5.8755 5.8755 5.9105 5.9105 6.3316 6.3316 6.3767 6.3767 6.6966 6.6966 6.6992 6.6992 6.7841 6.7841 6.8080 6.8080 7.2468 7.2468 7.4929 7.4929 9.4218 9.4218 9.4772 9.4772 9.5222 9.5222 9.5729 9.5729 10.8367 10.8367 10.9494 10.9494 11.4658 11.4658 11.8068 11.8068 12.2897 12.2897 k = 0.0000 0.0000 0.2223 ( 4998 PWs) bands (ev): -18.0184 -18.0184 -18.0168 -18.0168 -4.6925 -4.6925 -4.6720 -4.6720 -2.9871 -2.9871 -2.9432 -2.9432 -2.4452 -2.4452 -2.4415 -2.4415 -0.2346 -0.2346 -0.1287 -0.1287 5.7585 5.7585 5.7756 5.7756 5.8842 5.8842 5.9017 5.9017 6.3452 6.3452 6.3677 6.3677 6.6978 6.6978 6.6991 6.6991 6.7899 6.7899 6.8018 6.8018 7.3023 7.3023 7.4259 7.4259 9.4458 9.4458 9.4961 9.4961 9.5001 9.5001 9.5481 9.5481 10.8681 10.8681 10.9244 10.9244 11.5490 11.5490 11.7200 11.7200 12.3528 12.3528 k = 0.0000 0.0000 0.2353 ( 5016 PWs) bands (ev): -18.0176 -18.0176 -18.0176 -18.0176 -4.6822 -4.6822 -4.6822 -4.6822 -2.9656 -2.9656 -2.9656 -2.9656 -2.4433 -2.4433 -2.4433 -2.4433 -0.1813 -0.1813 -0.1813 -0.1813 5.7670 5.7670 5.7670 5.7670 5.8929 5.8929 5.8929 5.8929 6.3572 6.3572 6.3572 6.3572 6.6986 6.6986 6.6986 6.6986 6.7958 6.7958 6.7958 6.7958 7.3621 7.3621 7.3621 7.3621 9.4706 9.4706 9.4706 9.4706 9.5237 9.5237 9.5237 9.5237 10.8973 10.8973 10.8973 10.8973 11.6339 11.6339 11.6339 11.6339 12.4188 12.4188 k = 0.0000 0.0000 0.2353 ( 5016 PWs) bands (ev): -18.0176 -18.0176 -18.0176 -18.0176 -4.6822 -4.6822 -4.6822 -4.6822 -2.9656 -2.9656 -2.9656 -2.9656 -2.4433 -2.4433 -2.4433 -2.4433 -0.1813 -0.1813 -0.1813 -0.1813 5.7670 5.7670 5.7670 5.7670 5.8929 5.8929 5.8929 5.8929 6.3572 6.3572 6.3572 6.3572 6.6986 6.6986 6.6986 6.6986 6.7958 6.7958 6.7958 6.7958 7.3621 7.3621 7.3621 7.3621 9.4706 9.4706 9.4706 9.4706 9.5237 9.5237 9.5237 9.5237 10.8973 10.8973 10.8973 10.8973 11.6339 11.6339 11.6339 11.6339 12.4188 12.4188 k = 0.0116 0.0067 0.2353 ( 5002 PWs) bands (ev): -18.0175 -18.0175 -18.0175 -18.0175 -4.6823 -4.6823 -4.6823 -4.6823 -2.9657 -2.9657 -2.9657 -2.9657 -2.4441 -2.4441 -2.4441 -2.4441 -0.1808 -0.1808 -0.1808 -0.1808 5.7668 5.7668 5.7668 5.7668 5.8926 5.8926 5.8926 5.8926 6.3575 6.3575 6.3575 6.3575 6.6986 6.6986 6.6986 6.6986 6.7961 6.7961 6.7961 6.7961 7.3634 7.3634 7.3634 7.3634 9.4632 9.4632 9.4632 9.4632 9.5173 9.5173 9.5173 9.5173 10.9070 10.9070 10.9070 10.9070 11.6313 11.6313 11.6313 11.6313 12.4175 12.4175 k = 0.0233 0.0134 0.2353 ( 4996 PWs) bands (ev): -18.0173 -18.0173 -18.0173 -18.0173 -4.6827 -4.6827 -4.6827 -4.6827 -2.9658 -2.9658 -2.9658 -2.9658 -2.4465 -2.4465 -2.4465 -2.4465 -0.1790 -0.1790 -0.1790 -0.1790 5.7660 5.7660 5.7660 5.7660 5.8918 5.8918 5.8918 5.8918 6.3584 6.3584 6.3584 6.3584 6.6985 6.6985 6.6985 6.6985 6.7969 6.7969 6.7969 6.7969 7.3671 7.3671 7.3671 7.3671 9.4379 9.4379 9.4379 9.4379 9.5024 9.5024 9.5024 9.5024 10.9348 10.9348 10.9348 10.9348 11.6240 11.6240 11.6240 11.6240 12.4130 12.4130 k = 0.0349 0.0201 0.2353 ( 4988 PWs) bands (ev): -18.0169 -18.0169 -18.0169 -18.0169 -4.6833 -4.6833 -4.6833 -4.6833 -2.9660 -2.9660 -2.9660 -2.9660 -2.4504 -2.4504 -2.4504 -2.4504 -0.1761 -0.1761 -0.1761 -0.1761 5.7645 5.7645 5.7645 5.7645 5.8906 5.8906 5.8906 5.8906 6.3599 6.3599 6.3599 6.3599 6.6984 6.6984 6.6984 6.6984 6.7981 6.7981 6.7981 6.7981 7.3731 7.3731 7.3731 7.3731 9.3912 9.3912 9.3912 9.3912 9.4852 9.4852 9.4852 9.4852 10.9772 10.9772 10.9772 10.9772 11.6135 11.6135 11.6135 11.6135 12.4032 12.4032 k = 0.0465 0.0269 0.2353 ( 4984 PWs) bands (ev): -18.0163 -18.0163 -18.0163 -18.0163 -4.6841 -4.6841 -4.6841 -4.6841 -2.9663 -2.9663 -2.9663 -2.9663 -2.4559 -2.4559 -2.4559 -2.4559 -0.1721 -0.1721 -0.1721 -0.1721 5.7619 5.7619 5.7619 5.7619 5.8893 5.8893 5.8893 5.8893 6.3618 6.3618 6.3618 6.3618 6.6983 6.6983 6.6983 6.6983 6.7998 6.7998 6.7998 6.7998 7.3816 7.3816 7.3816 7.3816 9.3264 9.3264 9.3264 9.3264 9.4663 9.4663 9.4663 9.4663 11.0290 11.0290 11.0290 11.0290 11.6021 11.6021 11.6021 11.6021 12.3856 12.3856 k = 0.0581 0.0336 0.2353 ( 4976 PWs) bands (ev): -18.0156 -18.0156 -18.0156 -18.0156 -4.6853 -4.6853 -4.6853 -4.6853 -2.9667 -2.9667 -2.9667 -2.9667 -2.4627 -2.4627 -2.4627 -2.4627 -0.1671 -0.1671 -0.1671 -0.1671 5.7582 5.7582 5.7582 5.7582 5.8884 5.8884 5.8884 5.8884 6.3641 6.3641 6.3641 6.3641 6.6981 6.6981 6.6981 6.6981 6.8020 6.8020 6.8020 6.8020 7.3923 7.3923 7.3923 7.3923 9.2486 9.2486 9.2486 9.2486 9.4445 9.4445 9.4445 9.4445 11.0842 11.0842 11.0842 11.0842 11.5934 11.5934 11.5934 11.5934 12.3592 12.3592 k = 0.0698 0.0403 0.2353 ( 4980 PWs) bands (ev): -18.0148 -18.0148 -18.0148 -18.0148 -4.6867 -4.6867 -4.6867 -4.6867 -2.9672 -2.9672 -2.9672 -2.9672 -2.4708 -2.4708 -2.4708 -2.4708 -0.1610 -0.1610 -0.1610 -0.1610 5.7527 5.7527 5.7527 5.7527 5.8883 5.8883 5.8883 5.8883 6.3668 6.3668 6.3668 6.3668 6.6979 6.6979 6.6979 6.6979 6.8044 6.8044 6.8044 6.8044 7.4052 7.4052 7.4052 7.4052 9.1616 9.1616 9.1616 9.1616 9.4193 9.4193 9.4193 9.4193 11.1351 11.1351 11.1351 11.1351 11.5926 11.5926 11.5926 11.5926 12.3250 12.3250 k = 0.0814 0.0470 0.2353 ( 4974 PWs) bands (ev): -18.0137 -18.0137 -18.0137 -18.0137 -4.6883 -4.6883 -4.6883 -4.6883 -2.9678 -2.9678 -2.9678 -2.9678 -2.4802 -2.4802 -2.4802 -2.4802 -0.1541 -0.1541 -0.1541 -0.1541 5.7454 5.7454 5.7454 5.7454 5.8893 5.8893 5.8893 5.8893 6.3697 6.3697 6.3697 6.3697 6.6977 6.6977 6.6977 6.6977 6.8071 6.8071 6.8071 6.8071 7.4201 7.4201 7.4201 7.4201 9.0684 9.0684 9.0684 9.0684 9.3905 9.3905 9.3905 9.3905 11.1733 11.1733 11.1733 11.1733 11.6062 11.6062 11.6062 11.6062 12.2853 12.2853 k = 0.0930 0.0537 0.2353 ( 4970 PWs) bands (ev): -18.0126 -18.0126 -18.0126 -18.0126 -4.6902 -4.6902 -4.6902 -4.6902 -2.9685 -2.9685 -2.9685 -2.9685 -2.4906 -2.4906 -2.4906 -2.4906 -0.1463 -0.1463 -0.1463 -0.1463 5.7360 5.7360 5.7360 5.7360 5.8918 5.8918 5.8918 5.8918 6.3728 6.3728 6.3728 6.3728 6.6976 6.6976 6.6976 6.6976 6.8101 6.8101 6.8101 6.8101 7.4369 7.4369 7.4369 7.4369 8.9712 8.9712 8.9712 8.9712 9.3582 9.3582 9.3582 9.3582 11.1922 11.1922 11.1922 11.1922 11.6388 11.6388 11.6388 11.6388 12.2431 12.2431 k = 0.1047 0.0604 0.2353 ( 4978 PWs) bands (ev): -18.0113 -18.0113 -18.0113 -18.0113 -4.6925 -4.6925 -4.6925 -4.6925 -2.9693 -2.9693 -2.9693 -2.9693 -2.5019 -2.5019 -2.5019 -2.5019 -0.1377 -0.1377 -0.1377 -0.1377 5.7245 5.7245 5.7245 5.7245 5.8958 5.8958 5.8958 5.8958 6.3759 6.3759 6.3759 6.3759 6.6973 6.6973 6.6973 6.6973 6.8132 6.8132 6.8132 6.8132 7.4554 7.4554 7.4554 7.4554 8.8718 8.8718 8.8718 8.8718 9.3226 9.3226 9.3226 9.3226 11.1903 11.1903 11.1903 11.1903 11.6899 11.6899 11.6899 11.6899 12.2019 12.2019 k = 0.1163 0.0671 0.2353 ( 4986 PWs) bands (ev): -18.0099 -18.0099 -18.0099 -18.0099 -4.6950 -4.6950 -4.6950 -4.6950 -2.9703 -2.9703 -2.9703 -2.9703 -2.5140 -2.5140 -2.5140 -2.5140 -0.1284 -0.1284 -0.1284 -0.1284 5.7110 5.7110 5.7110 5.7110 5.9014 5.9014 5.9014 5.9014 6.3789 6.3789 6.3789 6.3789 6.6971 6.6971 6.6971 6.6971 6.8164 6.8164 6.8164 6.8164 7.4752 7.4752 7.4752 7.4752 8.7717 8.7717 8.7717 8.7717 9.2840 9.2840 9.2840 9.2840 11.1713 11.1713 11.1713 11.1713 11.7530 11.7530 11.7530 11.7530 12.1661 12.1661 k = 0.1279 0.0738 0.2353 ( 4986 PWs) bands (ev): -18.0084 -18.0084 -18.0084 -18.0084 -4.6978 -4.6978 -4.6978 -4.6978 -2.9714 -2.9714 -2.9714 -2.9714 -2.5268 -2.5268 -2.5268 -2.5268 -0.1186 -0.1186 -0.1186 -0.1186 5.6957 5.6957 5.6957 5.6957 5.9086 5.9086 5.9086 5.9086 6.3818 6.3818 6.3818 6.3818 6.6969 6.6969 6.6969 6.6969 6.8196 6.8196 6.8196 6.8196 7.4960 7.4960 7.4960 7.4960 8.6721 8.6721 8.6721 8.6721 9.2426 9.2426 9.2426 9.2426 11.1398 11.1398 11.1398 11.1398 11.8182 11.8182 11.8182 11.8182 12.1419 12.1419 k = 0.1395 0.0806 0.2353 ( 4994 PWs) bands (ev): -18.0067 -18.0067 -18.0067 -18.0067 -4.7009 -4.7009 -4.7009 -4.7009 -2.9727 -2.9727 -2.9727 -2.9727 -2.5399 -2.5399 -2.5399 -2.5399 -0.1083 -0.1083 -0.1083 -0.1083 5.6788 5.6788 5.6788 5.6788 5.9171 5.9171 5.9171 5.9171 6.3845 6.3845 6.3845 6.3845 6.6967 6.6967 6.6967 6.6967 6.8228 6.8228 6.8228 6.8228 7.5174 7.5174 7.5174 7.5174 8.5742 8.5742 8.5742 8.5742 9.1987 9.1987 9.1987 9.1987 11.0994 11.0994 11.0994 11.0994 11.8726 11.8726 11.8726 11.8726 12.1399 12.1399 k = 0.1512 0.0873 0.2353 ( 4998 PWs) bands (ev): -18.0050 -18.0050 -18.0050 -18.0050 -4.7044 -4.7044 -4.7044 -4.7044 -2.9742 -2.9742 -2.9742 -2.9742 -2.5533 -2.5533 -2.5533 -2.5533 -0.0975 -0.0975 -0.0975 -0.0975 5.6604 5.6604 5.6604 5.6604 5.9270 5.9270 5.9270 5.9270 6.3870 6.3870 6.3870 6.3870 6.6964 6.6964 6.6964 6.6964 6.8259 6.8259 6.8259 6.8259 7.5386 7.5386 7.5386 7.5386 8.4791 8.4791 8.4791 8.4791 9.1526 9.1526 9.1526 9.1526 11.0526 11.0526 11.0526 11.0526 11.9028 11.9028 11.9028 11.9028 12.1717 12.1717 k = 0.1628 0.0940 0.2353 ( 4992 PWs) bands (ev): -18.0031 -18.0031 -18.0031 -18.0031 -4.7081 -4.7081 -4.7081 -4.7081 -2.9760 -2.9760 -2.9760 -2.9760 -2.5668 -2.5668 -2.5668 -2.5668 -0.0865 -0.0865 -0.0865 -0.0865 5.6407 5.6407 5.6407 5.6407 5.9381 5.9381 5.9381 5.9381 6.3891 6.3891 6.3891 6.3891 6.6961 6.6961 6.6961 6.6961 6.8289 6.8289 6.8289 6.8289 7.5589 7.5589 7.5589 7.5589 8.3881 8.3881 8.3881 8.3881 9.1046 9.1046 9.1046 9.1046 11.0008 11.0008 11.0008 11.0008 11.9098 11.9098 11.9098 11.9098 12.2353 12.2353 k = 0.1744 0.1007 0.2353 ( 4990 PWs) bands (ev): -18.0012 -18.0012 -18.0012 -18.0012 -4.7122 -4.7122 -4.7122 -4.7122 -2.9780 -2.9780 -2.9780 -2.9780 -2.5802 -2.5802 -2.5802 -2.5802 -0.0752 -0.0752 -0.0752 -0.0752 5.6199 5.6199 5.6199 5.6199 5.9503 5.9503 5.9503 5.9503 6.3908 6.3908 6.3908 6.3908 6.6957 6.6957 6.6957 6.6957 6.8316 6.8316 6.8316 6.8316 7.5770 7.5770 7.5770 7.5770 8.3028 8.3028 8.3028 8.3028 9.0550 9.0550 9.0550 9.0550 10.9456 10.9456 10.9456 10.9456 11.9059 11.9059 11.9059 11.9059 12.3174 12.3174 k = 0.1860 0.1074 0.2353 ( 4990 PWs) bands (ev): -17.9992 -17.9992 -17.9992 -17.9992 -4.7166 -4.7166 -4.7166 -4.7166 -2.9803 -2.9803 -2.9803 -2.9803 -2.5934 -2.5934 -2.5934 -2.5934 -0.0638 -0.0638 -0.0638 -0.0638 5.5982 5.5982 5.5982 5.5982 5.9635 5.9635 5.9635 5.9635 6.3921 6.3921 6.3921 6.3921 6.6952 6.6952 6.6952 6.6952 6.8341 6.8341 6.8341 6.8341 7.5910 7.5910 7.5910 7.5910 8.2253 8.2253 8.2253 8.2253 9.0041 9.0041 9.0041 9.0041 10.8878 10.8878 10.8878 10.8878 11.8997 11.8997 11.8997 11.8997 12.4085 12.4085 k = 0.1977 0.1141 0.2353 ( 4990 PWs) bands (ev): -17.9971 -17.9971 -17.9971 -17.9971 -4.7213 -4.7213 -4.7213 -4.7213 -2.9830 -2.9830 -2.9830 -2.9830 -2.6061 -2.6061 -2.6061 -2.6061 -0.0523 -0.0523 -0.0523 -0.0523 5.5755 5.5755 5.5755 5.5755 5.9777 5.9777 5.9777 5.9777 6.3929 6.3929 6.3929 6.3929 6.6946 6.6946 6.6946 6.6946 6.8364 6.8364 6.8364 6.8364 7.5984 7.5984 7.5984 7.5984 8.1582 8.1582 8.1582 8.1582 8.9522 8.9522 8.9522 8.9522 10.8287 10.8287 10.8287 10.8287 11.8949 11.8949 11.8949 11.8949 12.5040 12.5040 k = 0.2093 0.1208 0.2353 ( 4986 PWs) bands (ev): -17.9950 -17.9950 -17.9950 -17.9950 -4.7262 -4.7262 -4.7262 -4.7262 -2.9860 -2.9860 -2.9860 -2.9860 -2.6182 -2.6182 -2.6182 -2.6182 -0.0408 -0.0408 -0.0408 -0.0408 5.5521 5.5521 5.5521 5.5521 5.9927 5.9927 5.9927 5.9927 6.3932 6.3932 6.3932 6.3932 6.6939 6.6939 6.6939 6.6939 6.8383 6.8383 6.8383 6.8383 7.5963 7.5963 7.5963 7.5963 8.1047 8.1047 8.1047 8.1047 8.8995 8.8995 8.8995 8.8995 10.7689 10.7689 10.7689 10.7689 11.8928 11.8928 11.8928 11.8928 12.6017 12.6017 k = 0.2209 0.1276 0.2353 ( 4990 PWs) bands (ev): -17.9928 -17.9928 -17.9928 -17.9928 -4.7315 -4.7315 -4.7315 -4.7315 -2.9895 -2.9895 -2.9895 -2.9895 -2.6296 -2.6296 -2.6296 -2.6296 -0.0294 -0.0294 -0.0294 -0.0294 5.5281 5.5281 5.5281 5.5281 6.0084 6.0084 6.0084 6.0084 6.3929 6.3929 6.3929 6.3929 6.6930 6.6930 6.6930 6.6930 6.8398 6.8398 6.8398 6.8398 7.5819 7.5819 7.5819 7.5819 8.0675 8.0675 8.0675 8.0675 8.8463 8.8463 8.8463 8.8463 10.7093 10.7093 10.7093 10.7093 11.8936 11.8936 11.8936 11.8936 12.7004 12.7004 k = 0.2326 0.1343 0.2353 ( 4998 PWs) bands (ev): -17.9906 -17.9906 -17.9906 -17.9906 -4.7370 -4.7370 -4.7370 -4.7370 -2.9934 -2.9934 -2.9934 -2.9934 -2.6402 -2.6402 -2.6402 -2.6402 -0.0181 -0.0181 -0.0181 -0.0181 5.5034 5.5034 5.5034 5.5034 6.0248 6.0248 6.0248 6.0248 6.3921 6.3921 6.3921 6.3921 6.6920 6.6920 6.6920 6.6920 6.8410 6.8410 6.8410 6.8410 7.5545 7.5545 7.5545 7.5545 8.0474 8.0474 8.0474 8.0474 8.7929 8.7929 8.7929 8.7929 10.6505 10.6505 10.6505 10.6505 11.8970 11.8970 11.8970 11.8970 12.7993 12.7993 k = 0.2442 0.1410 0.2353 ( 5002 PWs) bands (ev): -17.9884 -17.9884 -17.9884 -17.9884 -4.7427 -4.7427 -4.7427 -4.7427 -2.9978 -2.9978 -2.9978 -2.9978 -2.6498 -2.6498 -2.6498 -2.6498 -0.0069 -0.0069 -0.0069 -0.0069 5.4783 5.4783 5.4783 5.4783 6.0418 6.0418 6.0418 6.0418 6.3907 6.3907 6.3907 6.3907 6.6908 6.6908 6.6908 6.6908 6.8418 6.8418 6.8418 6.8418 7.5160 7.5160 7.5160 7.5160 8.0425 8.0425 8.0425 8.0425 8.7394 8.7394 8.7394 8.7394 10.5932 10.5932 10.5932 10.5932 11.9027 11.9027 11.9027 11.9027 12.8979 12.8979 k = 0.2558 0.1477 0.2353 ( 5006 PWs) bands (ev): -17.9861 -17.9861 -17.9861 -17.9861 -4.7486 -4.7486 -4.7486 -4.7486 -3.0027 -3.0027 -3.0027 -3.0027 -2.6584 -2.6584 -2.6584 -2.6584 0.0040 0.0040 0.0040 0.0040 5.4527 5.4527 5.4527 5.4527 6.0594 6.0594 6.0594 6.0594 6.3887 6.3887 6.3887 6.3887 6.6895 6.6895 6.6895 6.6895 6.8423 6.8423 6.8423 6.8423 7.4699 7.4699 7.4699 7.4699 8.0492 8.0492 8.0492 8.0492 8.6862 8.6862 8.6862 8.6862 10.5379 10.5379 10.5379 10.5379 11.9101 11.9101 11.9101 11.9101 12.9958 12.9958 k = 0.2674 0.1544 0.2353 ( 4992 PWs) bands (ev): -17.9839 -17.9839 -17.9839 -17.9839 -4.7547 -4.7547 -4.7547 -4.7547 -3.0080 -3.0080 -3.0080 -3.0080 -2.6659 -2.6659 -2.6659 -2.6659 0.0146 0.0146 0.0146 0.0146 5.4268 5.4268 5.4268 5.4268 6.0774 6.0774 6.0774 6.0774 6.3863 6.3863 6.3863 6.3863 6.6881 6.6881 6.6881 6.6881 6.8425 6.8425 6.8425 6.8425 7.4199 7.4199 7.4199 7.4199 8.0638 8.0638 8.0638 8.0638 8.6334 8.6334 8.6334 8.6334 10.4848 10.4848 10.4848 10.4848 11.9184 11.9184 11.9184 11.9184 13.0928 13.0928 k = 0.2791 0.1611 0.2353 ( 4990 PWs) bands (ev): -17.9817 -17.9817 -17.9817 -17.9817 -4.7609 -4.7609 -4.7609 -4.7609 -3.0138 -3.0138 -3.0138 -3.0138 -2.6724 -2.6724 -2.6724 -2.6724 0.0248 0.0248 0.0248 0.0248 5.4007 5.4007 5.4007 5.4007 6.0958 6.0958 6.0958 6.0958 6.3832 6.3832 6.3832 6.3832 6.6865 6.6865 6.6865 6.6865 6.8423 6.8423 6.8423 6.8423 7.3687 7.3687 7.3687 7.3687 8.0835 8.0835 8.0835 8.0835 8.5812 8.5812 8.5812 8.5812 10.4345 10.4345 10.4345 10.4345 11.9271 11.9271 11.9271 11.9271 13.1887 13.1887 k = 0.2907 0.1678 0.2353 ( 4974 PWs) bands (ev): -17.9795 -17.9795 -17.9795 -17.9795 -4.7672 -4.7672 -4.7672 -4.7672 -3.0199 -3.0199 -3.0199 -3.0199 -2.6778 -2.6778 -2.6778 -2.6778 0.0348 0.0348 0.0348 0.0348 5.3744 5.3744 5.3744 5.3744 6.1145 6.1145 6.1145 6.1145 6.3797 6.3797 6.3797 6.3797 6.6848 6.6848 6.6848 6.6848 6.8418 6.8418 6.8418 6.8418 7.3182 7.3182 7.3182 7.3182 8.1061 8.1061 8.1061 8.1061 8.5300 8.5300 8.5300 8.5300 10.3872 10.3872 10.3872 10.3872 11.9356 11.9356 11.9356 11.9356 13.2833 13.2833 k = 0.3023 0.1745 0.2353 ( 4972 PWs) bands (ev): -17.9774 -17.9774 -17.9774 -17.9774 -4.7735 -4.7735 -4.7735 -4.7735 -3.0263 -3.0263 -3.0263 -3.0263 -2.6821 -2.6821 -2.6821 -2.6821 0.0443 0.0443 0.0443 0.0443 5.3480 5.3480 5.3480 5.3480 6.1332 6.1332 6.1332 6.1332 6.3758 6.3758 6.3758 6.3758 6.6830 6.6830 6.6830 6.6830 6.8411 6.8411 6.8411 6.8411 7.2694 7.2694 7.2694 7.2694 8.1302 8.1302 8.1302 8.1302 8.4799 8.4799 8.4799 8.4799 10.3430 10.3430 10.3430 10.3430 11.9431 11.9431 11.9431 11.9431 13.3767 13.3767 k = 0.3140 0.1813 0.2353 ( 4976 PWs) bands (ev): -17.9753 -17.9753 -17.9753 -17.9753 -4.7798 -4.7798 -4.7798 -4.7798 -3.0329 -3.0329 -3.0329 -3.0329 -2.6855 -2.6855 -2.6855 -2.6855 0.0534 0.0534 0.0534 0.0534 5.3217 5.3217 5.3217 5.3217 6.1520 6.1520 6.1520 6.1520 6.3715 6.3715 6.3715 6.3715 6.6811 6.6811 6.6811 6.6811 6.8401 6.8401 6.8401 6.8401 7.2233 7.2233 7.2233 7.2233 8.1547 8.1547 8.1547 8.1547 8.4312 8.4312 8.4312 8.4312 10.3023 10.3023 10.3023 10.3023 11.9492 11.9492 11.9492 11.9492 13.4690 13.4690 k = 0.3256 0.1880 0.2353 ( 4980 PWs) bands (ev): -17.9732 -17.9732 -17.9732 -17.9732 -4.7861 -4.7861 -4.7861 -4.7861 -3.0397 -3.0397 -3.0397 -3.0397 -2.6881 -2.6881 -2.6881 -2.6881 0.0621 0.0621 0.0621 0.0621 5.2957 5.2957 5.2957 5.2957 6.1705 6.1705 6.1705 6.1705 6.3670 6.3670 6.3670 6.3670 6.6791 6.6791 6.6791 6.6791 6.8390 6.8390 6.8390 6.8390 7.1802 7.1802 7.1802 7.1802 8.1788 8.1788 8.1788 8.1788 8.3843 8.3843 8.3843 8.3843 10.2650 10.2650 10.2650 10.2650 11.9535 11.9535 11.9535 11.9535 13.5601 13.5601 k = 0.3372 0.1947 0.2353 ( 4980 PWs) bands (ev): -17.9713 -17.9713 -17.9713 -17.9713 -4.7923 -4.7923 -4.7923 -4.7923 -3.0465 -3.0465 -3.0465 -3.0465 -2.6898 -2.6898 -2.6898 -2.6898 0.0703 0.0703 0.0703 0.0703 5.2701 5.2701 5.2701 5.2701 6.1888 6.1888 6.1888 6.1888 6.3625 6.3625 6.3625 6.3625 6.6770 6.6770 6.6770 6.6770 6.8376 6.8376 6.8376 6.8376 7.1405 7.1405 7.1405 7.1405 8.2014 8.2014 8.2014 8.2014 8.3398 8.3398 8.3398 8.3398 10.2312 10.2312 10.2312 10.2312 11.9555 11.9555 11.9555 11.9555 13.6501 13.6501 k = 0.3488 0.2014 0.2353 ( 4992 PWs) bands (ev): -17.9694 -17.9694 -17.9694 -17.9694 -4.7983 -4.7983 -4.7983 -4.7983 -3.0532 -3.0532 -3.0532 -3.0532 -2.6909 -2.6909 -2.6909 -2.6909 0.0781 0.0781 0.0781 0.0781 5.2450 5.2450 5.2450 5.2450 6.2065 6.2065 6.2065 6.2065 6.3582 6.3582 6.3582 6.3582 6.6750 6.6750 6.6750 6.6750 6.8362 6.8362 6.8362 6.8362 7.1041 7.1041 7.1041 7.1041 8.2202 8.2202 8.2202 8.2202 8.2999 8.2999 8.2999 8.2999 10.2009 10.2009 10.2009 10.2009 11.9553 11.9553 11.9553 11.9553 13.7388 13.7388 k = 0.3605 0.2081 0.2353 ( 4982 PWs) bands (ev): -17.9676 -17.9676 -17.9676 -17.9676 -4.8042 -4.8042 -4.8042 -4.8042 -3.0598 -3.0598 -3.0598 -3.0598 -2.6913 -2.6913 -2.6913 -2.6913 0.0853 0.0853 0.0853 0.0853 5.2207 5.2207 5.2207 5.2207 6.2234 6.2234 6.2234 6.2234 6.3542 6.3542 6.3542 6.3542 6.6729 6.6729 6.6729 6.6729 6.8347 6.8347 6.8347 6.8347 7.0711 7.0711 7.0711 7.0711 8.2241 8.2241 8.2241 8.2241 8.2759 8.2759 8.2759 8.2759 10.1741 10.1741 10.1741 10.1741 11.9526 11.9526 11.9526 11.9526 13.8261 13.8261 k = 0.3721 0.2148 0.2353 ( 4988 PWs) bands (ev): -17.9660 -17.9660 -17.9660 -17.9660 -4.8097 -4.8097 -4.8097 -4.8097 -3.0662 -3.0662 -3.0662 -3.0662 -2.6913 -2.6913 -2.6913 -2.6913 0.0920 0.0920 0.0920 0.0920 5.1974 5.1974 5.1974 5.1974 6.2392 6.2392 6.2392 6.2392 6.3509 6.3509 6.3509 6.3509 6.6709 6.6709 6.6709 6.6709 6.8331 6.8331 6.8331 6.8331 7.0414 7.0414 7.0414 7.0414 8.1990 8.1990 8.1990 8.1990 8.2814 8.2814 8.2814 8.2814 10.1507 10.1507 10.1507 10.1507 11.9478 11.9478 11.9478 11.9478 13.9115 13.9115 k = 0.3837 0.2215 0.2353 ( 4984 PWs) bands (ev): -17.9644 -17.9644 -17.9644 -17.9644 -4.8150 -4.8150 -4.8150 -4.8150 -3.0723 -3.0723 -3.0723 -3.0723 -2.6910 -2.6910 -2.6910 -2.6910 0.0981 0.0981 0.0981 0.0981 5.1752 5.1752 5.1752 5.1752 6.2534 6.2534 6.2534 6.2534 6.3486 6.3486 6.3486 6.3486 6.6690 6.6690 6.6690 6.6690 6.8316 6.8316 6.8316 6.8316 7.0150 7.0150 7.0150 7.0150 8.1652 8.1652 8.1652 8.1652 8.2965 8.2965 8.2965 8.2965 10.1306 10.1306 10.1306 10.1306 11.9410 11.9410 11.9410 11.9410 13.9943 13.9943 k = 0.3953 0.2283 0.2353 ( 4996 PWs) bands (ev): -17.9630 -17.9630 -17.9630 -17.9630 -4.8200 -4.8200 -4.8200 -4.8200 -3.0780 -3.0780 -3.0780 -3.0780 -2.6903 -2.6903 -2.6903 -2.6903 0.1037 0.1037 0.1037 0.1037 5.1543 5.1543 5.1543 5.1543 6.2655 6.2655 6.2655 6.2655 6.3478 6.3478 6.3478 6.3478 6.6671 6.6671 6.6671 6.6671 6.8300 6.8300 6.8300 6.8300 6.9915 6.9915 6.9915 6.9915 8.1317 8.1317 8.1317 8.1317 8.3120 8.3120 8.3120 8.3120 10.1134 10.1134 10.1134 10.1134 11.9327 11.9327 11.9327 11.9327 14.0738 14.0738 k = 0.4070 0.2350 0.2353 ( 4998 PWs) bands (ev): -17.9616 -17.9616 -17.9616 -17.9616 -4.8245 -4.8245 -4.8245 -4.8245 -3.0832 -3.0832 -3.0832 -3.0832 -2.6895 -2.6895 -2.6895 -2.6895 0.1088 0.1088 0.1088 0.1088 5.1351 5.1351 5.1351 5.1351 6.2749 6.2749 6.2749 6.2749 6.3489 6.3489 6.3489 6.3489 6.6654 6.6654 6.6654 6.6654 6.8286 6.8286 6.8286 6.8286 6.9711 6.9711 6.9711 6.9711 8.1005 8.1005 8.1005 8.1005 8.3265 8.3265 8.3265 8.3265 10.0991 10.0991 10.0991 10.0991 11.9233 11.9233 11.9233 11.9233 14.1489 14.1489 k = 0.4186 0.2417 0.2353 ( 4996 PWs) bands (ev): -17.9605 -17.9605 -17.9605 -17.9605 -4.8286 -4.8286 -4.8286 -4.8286 -3.0880 -3.0880 -3.0880 -3.0880 -2.6885 -2.6885 -2.6885 -2.6885 0.1133 0.1133 0.1133 0.1133 5.1176 5.1176 5.1176 5.1176 6.2815 6.2815 6.2815 6.2815 6.3521 6.3521 6.3521 6.3521 6.6639 6.6639 6.6639 6.6639 6.8272 6.8272 6.8272 6.8272 6.9534 6.9534 6.9534 6.9534 8.0720 8.0720 8.0720 8.0720 8.3394 8.3394 8.3394 8.3394 10.0874 10.0874 10.0874 10.0874 11.9134 11.9134 11.9134 11.9134 14.2184 14.2184 k = 0.4302 0.2484 0.2353 ( 5002 PWs) bands (ev): -17.9594 -17.9594 -17.9594 -17.9594 -4.8323 -4.8323 -4.8323 -4.8323 -3.0922 -3.0922 -3.0922 -3.0922 -2.6876 -2.6876 -2.6876 -2.6876 0.1172 0.1172 0.1172 0.1172 5.1020 5.1020 5.1020 5.1020 6.2855 6.2855 6.2855 6.2855 6.3569 6.3569 6.3569 6.3569 6.6625 6.6625 6.6625 6.6625 6.8259 6.8259 6.8259 6.8259 6.9383 6.9383 6.9383 6.9383 8.0467 8.0467 8.0467 8.0467 8.3506 8.3506 8.3506 8.3506 10.0780 10.0780 10.0780 10.0780 11.9034 11.9034 11.9034 11.9034 14.2811 14.2811 k = 0.4419 0.2551 0.2353 ( 5006 PWs) bands (ev): -17.9586 -17.9586 -17.9586 -17.9586 -4.8354 -4.8354 -4.8354 -4.8354 -3.0958 -3.0958 -3.0958 -3.0958 -2.6866 -2.6866 -2.6866 -2.6866 0.1205 0.1205 0.1205 0.1205 5.0885 5.0885 5.0885 5.0885 6.2876 6.2876 6.2876 6.2876 6.3626 6.3626 6.3626 6.3626 6.6614 6.6614 6.6614 6.6614 6.8248 6.8248 6.8248 6.8248 6.9258 6.9258 6.9258 6.9258 8.0249 8.0249 8.0249 8.0249 8.3600 8.3600 8.3600 8.3600 10.0705 10.0705 10.0705 10.0705 11.8938 11.8938 11.8938 11.8938 14.3358 14.3358 k = 0.4535 0.2618 0.2353 ( 4994 PWs) bands (ev): -17.9578 -17.9578 -17.9578 -17.9578 -4.8380 -4.8380 -4.8380 -4.8380 -3.0989 -3.0989 -3.0989 -3.0989 -2.6858 -2.6858 -2.6858 -2.6858 0.1232 0.1232 0.1232 0.1232 5.0773 5.0773 5.0773 5.0773 6.2885 6.2885 6.2885 6.2885 6.3684 6.3684 6.3684 6.3684 6.6604 6.6604 6.6604 6.6604 6.8238 6.8238 6.8238 6.8238 6.9158 6.9158 6.9158 6.9158 8.0067 8.0067 8.0067 8.0067 8.3677 8.3677 8.3677 8.3677 10.0649 10.0649 10.0649 10.0649 11.8853 11.8853 11.8853 11.8853 14.3814 14.3814 k = 0.4651 0.2685 0.2353 ( 4988 PWs) bands (ev): -17.9573 -17.9573 -17.9573 -17.9573 -4.8401 -4.8401 -4.8401 -4.8401 -3.1012 -3.1012 -3.1012 -3.1012 -2.6851 -2.6851 -2.6851 -2.6851 0.1253 0.1253 0.1253 0.1253 5.0685 5.0685 5.0685 5.0685 6.2887 6.2887 6.2887 6.2887 6.3734 6.3734 6.3734 6.3734 6.6597 6.6597 6.6597 6.6597 6.8231 6.8231 6.8231 6.8231 6.9081 6.9081 6.9081 6.9081 7.9923 7.9923 7.9923 7.9923 8.3737 8.3737 8.3737 8.3737 10.0608 10.0608 10.0608 10.0608 11.8782 11.8782 11.8782 11.8782 14.4172 14.4172 k = 0.4767 0.2752 0.2353 ( 4996 PWs) bands (ev): -17.9568 -17.9568 -17.9568 -17.9568 -4.8416 -4.8416 -4.8416 -4.8416 -3.1029 -3.1029 -3.1029 -3.1029 -2.6845 -2.6845 -2.6845 -2.6845 0.1268 0.1268 0.1268 0.1268 5.0620 5.0620 5.0620 5.0620 6.2886 6.2886 6.2886 6.2886 6.3773 6.3773 6.3773 6.3773 6.6592 6.6592 6.6592 6.6592 6.8225 6.8225 6.8225 6.8225 6.9026 6.9026 6.9026 6.9026 7.9819 7.9819 7.9819 7.9819 8.3779 8.3779 8.3779 8.3779 10.0580 10.0580 10.0580 10.0580 11.8728 11.8728 11.8728 11.8728 14.4430 14.4430 k = 0.4884 0.2820 0.2353 ( 4992 PWs) bands (ev): -17.9566 -17.9566 -17.9566 -17.9566 -4.8425 -4.8425 -4.8425 -4.8425 -3.1040 -3.1040 -3.1040 -3.1040 -2.6842 -2.6842 -2.6842 -2.6842 0.1278 0.1278 0.1278 0.1278 5.0582 5.0582 5.0582 5.0582 6.2885 6.2885 6.2885 6.2885 6.3797 6.3797 6.3797 6.3797 6.6589 6.6589 6.6589 6.6589 6.8222 6.8222 6.8222 6.8222 6.8993 6.8993 6.8993 6.8993 7.9756 7.9756 7.9756 7.9756 8.3804 8.3804 8.3804 8.3804 10.0564 10.0564 10.0564 10.0564 11.8695 11.8695 11.8695 11.8695 14.4584 14.4584 k = 0.5000 0.2887 0.2353 ( 4992 PWs) bands (ev): -17.9565 -17.9565 -17.9565 -17.9565 -4.8428 -4.8428 -4.8428 -4.8428 -3.1043 -3.1043 -3.1043 -3.1043 -2.6841 -2.6841 -2.6841 -2.6841 0.1281 0.1281 0.1281 0.1281 5.0569 5.0569 5.0569 5.0569 6.2885 6.2885 6.2885 6.2885 6.3806 6.3806 6.3806 6.3806 6.6587 6.6587 6.6587 6.6587 6.8221 6.8221 6.8221 6.8221 6.8982 6.8982 6.8982 6.8982 7.9736 7.9736 7.9736 7.9736 8.3812 8.3812 8.3812 8.3812 10.0559 10.0559 10.0559 10.0559 11.8684 11.8684 11.8684 11.8684 14.4636 14.4636 k = 0.5000 0.2887 0.2353 ( 4992 PWs) bands (ev): -17.9565 -17.9565 -17.9565 -17.9565 -4.8428 -4.8428 -4.8428 -4.8428 -3.1043 -3.1043 -3.1043 -3.1043 -2.6841 -2.6841 -2.6841 -2.6841 0.1281 0.1281 0.1281 0.1281 5.0569 5.0569 5.0569 5.0569 6.2885 6.2885 6.2885 6.2885 6.3806 6.3806 6.3806 6.3806 6.6587 6.6587 6.6587 6.6587 6.8221 6.8221 6.8221 6.8221 6.8982 6.8982 6.8982 6.8982 7.9736 7.9736 7.9736 7.9736 8.3812 8.3812 8.3812 8.3812 10.0559 10.0559 10.0559 10.0559 11.8684 11.8684 11.8684 11.8684 14.4636 14.4636 k = 0.4933 0.3002 0.2353 ( 4996 PWs) bands (ev): -17.9565 -17.9565 -17.9565 -17.9565 -4.8435 -4.8435 -4.8421 -4.8421 -3.1063 -3.1063 -3.1021 -3.1021 -2.6849 -2.6849 -2.6845 -2.6845 0.1251 0.1251 0.1316 0.1316 5.0557 5.0557 5.0587 5.0587 6.2806 6.2806 6.2926 6.2926 6.3767 6.3767 6.3878 6.3878 6.6544 6.6544 6.6633 6.6633 6.8214 6.8214 6.8233 6.8233 6.8961 6.8961 6.9002 6.9002 7.9666 7.9666 7.9727 7.9727 8.3809 8.3809 8.3826 8.3826 10.0560 10.0560 10.0598 10.0598 11.8715 11.8715 11.8767 11.8767 14.3964 14.3966 k = 0.4867 0.3118 0.2353 ( 5000 PWs) bands (ev): -17.9564 -17.9564 -17.9564 -17.9564 -4.8441 -4.8441 -4.8413 -4.8413 -3.1079 -3.1079 -3.0995 -3.0995 -2.6867 -2.6867 -2.6861 -2.6861 0.1228 0.1228 0.1357 0.1357 5.0553 5.0553 5.0612 5.0612 6.2705 6.2705 6.2920 6.2920 6.3773 6.3773 6.3971 6.3971 6.6502 6.6502 6.6680 6.6680 6.8214 6.8214 6.8251 6.8251 6.8938 6.8938 6.9021 6.9021 7.9520 7.9520 7.9642 7.9642 8.3816 8.3816 8.3848 8.3848 10.0599 10.0599 10.0677 10.0677 11.8859 11.8859 11.8962 11.8962 14.3094 14.3095 k = 0.4800 0.3233 0.2353 ( 4992 PWs) bands (ev): -17.9563 -17.9563 -17.9563 -17.9563 -4.8448 -4.8448 -4.8405 -4.8405 -3.1093 -3.1093 -3.0967 -3.0967 -2.6896 -2.6896 -2.6888 -2.6888 0.1211 0.1211 0.1404 0.1404 5.0555 5.0555 5.0642 5.0642 6.2594 6.2594 6.2869 6.2869 6.3821 6.3821 6.4075 6.4075 6.6464 6.6464 6.6727 6.6727 6.8219 6.8219 6.8274 6.8274 6.8913 6.8913 6.9039 6.9039 7.9303 7.9303 7.9484 7.9484 8.3832 8.3832 8.3878 8.3878 10.0675 10.0675 10.0794 10.0794 11.9113 11.9113 11.9265 11.9265 14.2215 14.2215 k = 0.4733 0.3349 0.2353 ( 4988 PWs) bands (ev): -17.9561 -17.9561 -17.9561 -17.9561 -4.8454 -4.8454 -4.8397 -4.8397 -3.1104 -3.1104 -3.0935 -3.0935 -2.6935 -2.6935 -2.6926 -2.6926 0.1201 0.1201 0.1456 0.1456 5.0562 5.0562 5.0677 5.0677 6.2480 6.2480 6.2790 6.2790 6.3896 6.3896 6.4182 6.4182 6.6429 6.6429 6.6774 6.6774 6.8228 6.8228 6.8302 6.8302 6.8887 6.8887 6.9057 6.9057 7.9020 7.9020 7.9257 7.9257 8.3858 8.3858 8.3916 8.3916 10.0784 10.0784 10.0948 10.0948 11.9471 11.9471 11.9669 11.9669 14.1352 14.1352 k = 0.4667 0.3464 0.2353 ( 4980 PWs) bands (ev): -17.9559 -17.9559 -17.9559 -17.9559 -4.8460 -4.8460 -4.8389 -4.8389 -3.1112 -3.1112 -3.0901 -3.0901 -2.6984 -2.6984 -2.6975 -2.6975 0.1196 0.1196 0.1512 0.1512 5.0575 5.0575 5.0714 5.0714 6.2369 6.2369 6.2695 6.2695 6.3984 6.3984 6.4290 6.4290 6.6399 6.6399 6.6822 6.6822 6.8240 6.8240 6.8333 6.8333 6.8861 6.8861 6.9074 6.9074 7.8678 7.8678 7.8971 7.8971 8.3892 8.3892 8.3960 8.3960 10.0924 10.0924 10.1135 10.1135 11.9925 11.9925 12.0168 12.0168 14.0517 14.0517 k = 0.4600 0.3580 0.2353 ( 4976 PWs) bands (ev): -17.9556 -17.9556 -17.9556 -17.9556 -4.8465 -4.8465 -4.8381 -4.8381 -3.1119 -3.1119 -3.0864 -3.0864 -2.7040 -2.7040 -2.7034 -2.7034 0.1197 0.1197 0.1572 0.1572 5.0590 5.0590 5.0753 5.0753 6.2266 6.2266 6.2596 6.2596 6.4076 6.4076 6.4395 6.4395 6.6374 6.6374 6.6869 6.6869 6.8254 6.8254 6.8365 6.8365 6.8834 6.8834 6.9092 6.9092 7.8286 7.8286 7.8633 7.8633 8.3934 8.3934 8.4009 8.4009 10.1090 10.1090 10.1352 10.1352 12.0464 12.0464 12.0749 12.0749 13.9719 13.9720 k = 0.4533 0.3695 0.2353 ( 4972 PWs) bands (ev): -17.9553 -17.9553 -17.9553 -17.9553 -4.8470 -4.8470 -4.8373 -4.8373 -3.1124 -3.1124 -3.0824 -3.0824 -2.7103 -2.7103 -2.7102 -2.7102 0.1203 0.1203 0.1636 0.1636 5.0607 5.0607 5.0792 5.0792 6.2176 6.2176 6.2500 6.2500 6.4167 6.4167 6.4496 6.4496 6.6352 6.6352 6.6917 6.6917 6.8268 6.8268 6.8397 6.8397 6.8809 6.8809 6.9109 6.9109 7.7852 7.7852 7.8252 7.8252 8.3981 8.3981 8.4063 8.4063 10.1279 10.1279 10.1595 10.1595 12.1077 12.1077 12.1401 12.1401 13.8967 13.8967 k = 0.4467 0.3811 0.2353 ( 4970 PWs) bands (ev): -17.9549 -17.9549 -17.9549 -17.9549 -4.8475 -4.8475 -4.8365 -4.8365 -3.1127 -3.1127 -3.0782 -3.0782 -2.7178 -2.7178 -2.7172 -2.7172 0.1215 0.1215 0.1703 0.1703 5.0624 5.0624 5.0827 5.0827 6.2101 6.2101 6.2413 6.2413 6.4252 6.4252 6.4593 6.4593 6.6336 6.6336 6.6964 6.6964 6.8280 6.8280 6.8424 6.8424 6.8788 6.8788 6.9127 6.9127 7.7383 7.7383 7.7837 7.7837 8.4034 8.4034 8.4121 8.4121 10.1486 10.1486 10.1861 10.1861 12.1749 12.1749 12.2108 12.2108 13.8265 13.8265 k = 0.4400 0.3926 0.2353 ( 4970 PWs) bands (ev): -17.9545 -17.9545 -17.9545 -17.9545 -4.8480 -4.8480 -4.8358 -4.8358 -3.1130 -3.1130 -3.0737 -3.0737 -2.7261 -2.7261 -2.7245 -2.7245 0.1231 0.1231 0.1771 0.1771 5.0638 5.0638 5.0858 5.0858 6.2044 6.2044 6.2339 6.2339 6.4332 6.4332 6.4686 6.4686 6.6322 6.6322 6.7010 6.7010 6.8291 6.8291 6.8440 6.8440 6.8778 6.8778 6.9145 6.9145 7.6890 7.6890 7.7398 7.7398 8.4090 8.4090 8.4182 8.4182 10.1708 10.1708 10.2144 10.2144 12.2464 12.2464 12.2856 12.2856 13.7620 13.7620 k = 0.4333 0.4041 0.2353 ( 4962 PWs) bands (ev): -17.9541 -17.9541 -17.9541 -17.9541 -4.8485 -4.8485 -4.8351 -4.8351 -3.1131 -3.1131 -3.0691 -3.0691 -2.7350 -2.7350 -2.7321 -2.7321 0.1250 0.1250 0.1841 0.1841 5.0649 5.0649 5.0883 5.0883 6.2008 6.2008 6.2281 6.2281 6.4404 6.4404 6.4774 6.4774 6.6311 6.6311 6.7056 6.7056 6.8298 6.8298 6.8441 6.8441 6.8784 6.8784 6.9163 6.9163 7.6379 7.6379 7.6942 7.6942 8.4150 8.4150 8.4245 8.4245 10.1942 10.1942 10.2440 10.2440 12.3206 12.3206 12.3627 12.3627 13.7037 13.7037 k = 0.4267 0.4157 0.2353 ( 4966 PWs) bands (ev): -17.9536 -17.9536 -17.9536 -17.9536 -4.8490 -4.8490 -4.8344 -4.8344 -3.1132 -3.1132 -3.0644 -3.0644 -2.7443 -2.7443 -2.7398 -2.7398 0.1274 0.1274 0.1911 0.1911 5.0654 5.0654 5.0899 5.0899 6.1996 6.1996 6.2242 6.2242 6.4468 6.4468 6.4856 6.4856 6.6300 6.6300 6.7100 6.7100 6.8302 6.8302 6.8424 6.8424 6.8807 6.8807 6.9181 6.9181 7.5857 7.5857 7.6477 7.6477 8.4211 8.4211 8.4311 8.4311 10.2183 10.2183 10.2745 10.2745 12.3955 12.3955 12.4402 12.4402 13.6518 13.6518 k = 0.4200 0.4272 0.2353 ( 4962 PWs) bands (ev): -17.9532 -17.9532 -17.9532 -17.9532 -4.8495 -4.8495 -4.8338 -4.8338 -3.1134 -3.1134 -3.0596 -3.0596 -2.7539 -2.7539 -2.7476 -2.7476 0.1299 0.1299 0.1981 0.1981 5.0653 5.0653 5.0906 5.0906 6.2008 6.2008 6.2224 6.2224 6.4524 6.4524 6.4934 6.4934 6.6288 6.6288 6.7143 6.7143 6.8302 6.8302 6.8393 6.8393 6.8845 6.8845 6.9198 6.9198 7.5332 7.5332 7.6010 7.6010 8.4273 8.4273 8.4376 8.4376 10.2427 10.2427 10.3054 10.3054 12.4693 12.4693 12.5161 12.5161 13.6067 13.6067 k = 0.4133 0.4388 0.2353 ( 4978 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -4.8500 -4.8500 -4.8333 -4.8333 -3.1135 -3.1135 -3.0548 -3.0548 -2.7636 -2.7636 -2.7552 -2.7552 0.1327 0.1327 0.2050 0.2050 5.0644 5.0644 5.0903 5.0903 6.2044 6.2044 6.2228 6.2228 6.4572 6.4572 6.5006 6.5006 6.6272 6.6272 6.7182 6.7182 6.8297 6.8297 6.8351 6.8351 6.8893 6.8893 6.9213 6.9213 7.4810 7.4810 7.5548 7.5548 8.4334 8.4334 8.4442 8.4442 10.2670 10.2670 10.3362 10.3362 12.5402 12.5402 12.5888 12.5888 13.5684 13.5684 k = 0.4067 0.4503 0.2353 ( 4978 PWs) bands (ev): -17.9522 -17.9522 -17.9522 -17.9522 -4.8505 -4.8505 -4.8328 -4.8328 -3.1138 -3.1138 -3.0500 -3.0500 -2.7733 -2.7733 -2.7625 -2.7625 0.1356 0.1356 0.2117 0.2117 5.0627 5.0627 5.0890 5.0890 6.2107 6.2107 6.2256 6.2256 6.4614 6.4614 6.5073 6.5073 6.6251 6.6251 6.7218 6.7218 6.8289 6.8289 6.8305 6.8305 6.8950 6.8950 6.9227 6.9227 7.4298 7.4298 7.5095 7.5095 8.4395 8.4395 8.4506 8.4506 10.2909 10.2909 10.3665 10.3665 12.6068 12.6068 12.6567 12.6567 13.5369 13.5369 k = 0.4000 0.4619 0.2353 ( 4978 PWs) bands (ev): -17.9518 -17.9518 -17.9518 -17.9518 -4.8510 -4.8510 -4.8325 -4.8325 -3.1141 -3.1141 -3.0454 -3.0454 -2.7828 -2.7828 -2.7694 -2.7694 0.1385 0.1385 0.2181 0.2181 5.0602 5.0602 5.0868 5.0868 6.2193 6.2193 6.2307 6.2307 6.4649 6.4649 6.5135 6.5135 6.6222 6.6222 6.7249 6.7249 6.8256 6.8256 6.8278 6.8278 6.9014 6.9014 6.9239 6.9239 7.3801 7.3801 7.4657 7.4657 8.4453 8.4453 8.4568 8.4568 10.3139 10.3139 10.3957 10.3957 12.6679 12.6679 12.7185 12.7185 13.5118 13.5118 k = 0.3933 0.4734 0.2353 ( 4970 PWs) bands (ev): -17.9513 -17.9513 -17.9513 -17.9513 -4.8515 -4.8515 -4.8322 -4.8322 -3.1145 -3.1145 -3.0409 -3.0409 -2.7920 -2.7920 -2.7758 -2.7758 0.1415 0.1415 0.2242 0.2242 5.0571 5.0571 5.0837 5.0837 6.2301 6.2301 6.2380 6.2380 6.4677 6.4677 6.5191 6.5191 6.6183 6.6183 6.7275 6.7275 6.8207 6.8207 6.8264 6.8264 6.9083 6.9083 6.9250 6.9250 7.3326 7.3326 7.4239 7.4239 8.4508 8.4508 8.4627 8.4627 10.3357 10.3357 10.4233 10.4233 12.7228 12.7228 12.7739 12.7739 13.4929 13.4929 k = 0.3867 0.4850 0.2353 ( 4970 PWs) bands (ev): -17.9509 -17.9509 -17.9509 -17.9509 -4.8520 -4.8520 -4.8319 -4.8319 -3.1150 -3.1150 -3.0367 -3.0367 -2.8006 -2.8006 -2.7817 -2.7817 0.1444 0.1444 0.2299 0.2299 5.0533 5.0533 5.0799 5.0799 6.2428 6.2428 6.2473 6.2473 6.4700 6.4700 6.5241 6.5241 6.6133 6.6133 6.7293 6.7293 6.8160 6.8160 6.8248 6.8248 6.9156 6.9156 6.9260 6.9260 7.2878 7.2878 7.3844 7.3844 8.4560 8.4560 8.4682 8.4682 10.3558 10.3558 10.4489 10.4489 12.7714 12.7714 12.8227 12.8227 13.4796 13.4796 k = 0.3800 0.4965 0.2353 ( 4962 PWs) bands (ev): -17.9504 -17.9504 -17.9504 -17.9504 -4.8525 -4.8525 -4.8318 -4.8318 -3.1156 -3.1156 -3.0328 -3.0328 -2.8085 -2.8085 -2.7868 -2.7868 0.1471 0.1471 0.2350 0.2350 5.0491 5.0491 5.0756 5.0756 6.2569 6.2569 6.2583 6.2583 6.4716 6.4716 6.5284 6.5284 6.6074 6.6074 6.7305 6.7305 6.8116 6.8116 6.8230 6.8230 6.9233 6.9233 6.9268 6.9268 7.2464 7.2464 7.3476 7.3476 8.4607 8.4607 8.4732 8.4732 10.3739 10.3739 10.4721 10.4721 12.8139 12.8139 12.8654 12.8654 13.4715 13.4715 k = 0.3733 0.5081 0.2353 ( 4966 PWs) bands (ev): -17.9501 -17.9501 -17.9500 -17.9500 -4.8530 -4.8530 -4.8317 -4.8317 -3.1162 -3.1162 -3.0294 -3.0294 -2.8156 -2.8156 -2.7913 -2.7913 0.1496 0.1496 0.2397 0.2397 5.0447 5.0447 5.0711 5.0711 6.2705 6.2705 6.2719 6.2719 6.4725 6.4725 6.5318 6.5318 6.6006 6.6006 6.7310 6.7310 6.8077 6.8077 6.8210 6.8210 6.9276 6.9276 6.9313 6.9313 7.2087 7.2087 7.3140 7.3140 8.4649 8.4649 8.4777 8.4777 10.3897 10.3897 10.4924 10.4924 12.8508 12.8508 12.9025 12.9025 13.4685 13.4685 k = 0.3667 0.5196 0.2353 ( 4964 PWs) bands (ev): -17.9497 -17.9497 -17.9497 -17.9497 -4.8535 -4.8535 -4.8317 -4.8317 -3.1169 -3.1169 -3.0265 -3.0265 -2.8217 -2.8217 -2.7950 -2.7950 0.1518 0.1518 0.2437 0.2437 5.0403 5.0403 5.0667 5.0667 6.2834 6.2834 6.2871 6.2871 6.4727 6.4727 6.5344 6.5344 6.5932 6.5932 6.7309 6.7309 6.8044 6.8044 6.8191 6.8191 6.9283 6.9283 6.9393 6.9393 7.1756 7.1756 7.2838 7.2838 8.4685 8.4685 8.4816 8.4816 10.4031 10.4031 10.5097 10.5097 12.8823 12.8823 12.9345 12.9345 13.4698 13.4702 k = 0.3600 0.5312 0.2353 ( 4972 PWs) bands (ev): -17.9494 -17.9494 -17.9494 -17.9494 -4.8539 -4.8539 -4.8318 -4.8318 -3.1176 -3.1176 -3.0242 -3.0242 -2.8267 -2.8267 -2.7980 -2.7980 0.1537 0.1537 0.2471 0.2471 5.0361 5.0361 5.0624 5.0624 6.2962 6.2962 6.3016 6.3016 6.4723 6.4723 6.5360 6.5360 6.5858 6.5858 6.7302 6.7302 6.8016 6.8016 6.8171 6.8171 6.9291 6.9291 6.9471 6.9471 7.1475 7.1475 7.2577 7.2577 8.4715 8.4715 8.4848 8.4848 10.4140 10.4140 10.5237 10.5237 12.9087 12.9087 12.9616 12.9616 13.4750 13.4750 k = 0.3533 0.5427 0.2353 ( 4960 PWs) bands (ev): -17.9492 -17.9492 -17.9492 -17.9492 -4.8543 -4.8543 -4.8318 -4.8318 -3.1183 -3.1183 -3.0224 -3.0224 -2.8306 -2.8306 -2.8002 -2.8002 0.1553 0.1553 0.2498 0.2498 5.0325 5.0325 5.0588 5.0588 6.3081 6.3081 6.3147 6.3147 6.4714 6.4714 6.5369 6.5369 6.5791 6.5791 6.7294 6.7294 6.7995 6.7995 6.8154 6.8154 6.9299 6.9299 6.9542 6.9542 7.1250 7.1250 7.2363 7.2363 8.4738 8.4738 8.4874 8.4874 10.4222 10.4222 10.5344 10.5344 12.9299 12.9299 12.9837 12.9837 13.4829 13.4829 k = 0.3467 0.5543 0.2353 ( 4948 PWs) bands (ev): -17.9490 -17.9490 -17.9490 -17.9490 -4.8546 -4.8546 -4.8319 -4.8319 -3.1188 -3.1188 -3.0212 -3.0212 -2.8334 -2.8334 -2.8018 -2.8018 0.1565 0.1565 0.2517 0.2517 5.0297 5.0297 5.0559 5.0559 6.3180 6.3180 6.3251 6.3251 6.4702 6.4702 6.5371 6.5371 6.5737 6.5737 6.7286 6.7286 6.7979 6.7979 6.8139 6.8139 6.9306 6.9306 6.9601 6.9601 7.1085 7.1085 7.2201 7.2201 8.4755 8.4755 8.4892 8.4892 10.4278 10.4278 10.5418 10.5418 12.9457 12.9457 13.0003 13.0003 13.4912 13.4912 k = 0.3400 0.5658 0.2353 ( 4926 PWs) bands (ev): -17.9489 -17.9489 -17.9489 -17.9489 -4.8548 -4.8548 -4.8320 -4.8320 -3.1192 -3.1192 -3.0205 -3.0205 -2.8350 -2.8350 -2.8026 -2.8026 0.1572 0.1572 0.2529 0.2529 5.0278 5.0278 5.0540 5.0540 6.3246 6.3246 6.3320 6.3320 6.4692 6.4692 6.5370 6.5370 6.5703 6.5703 6.7280 6.7280 6.7970 6.7970 6.8130 6.8130 6.9312 6.9312 6.9640 6.9640 7.0986 7.0986 7.2100 7.2100 8.4766 8.4766 8.4904 8.4904 10.4311 10.4311 10.5461 10.5461 12.9556 12.9556 13.0109 13.0109 13.4976 13.4976 k = 0.3333 0.5774 0.2353 ( 4926 PWs) bands (ev): -17.9488 -17.9488 -17.9488 -17.9488 -4.8549 -4.8549 -4.8320 -4.8320 -3.1193 -3.1193 -3.0203 -3.0203 -2.8355 -2.8355 -2.8029 -2.8029 0.1574 0.1574 0.2533 0.2533 5.0272 5.0272 5.0533 5.0533 6.3269 6.3269 6.3343 6.3343 6.4688 6.4688 6.5369 6.5369 6.5690 6.5690 6.7278 6.7278 6.7967 6.7967 6.8127 6.8127 6.9313 6.9313 6.9654 6.9654 7.0952 7.0952 7.2065 7.2065 8.4769 8.4769 8.4907 8.4907 10.4321 10.4321 10.5474 10.5474 12.9592 12.9592 13.0147 13.0147 13.4999 13.4999 k = 0.3333 0.5774 0.2353 ( 4926 PWs) bands (ev): -17.9488 -17.9488 -17.9488 -17.9488 -4.8549 -4.8549 -4.8320 -4.8320 -3.1193 -3.1193 -3.0203 -3.0203 -2.8355 -2.8355 -2.8029 -2.8029 0.1574 0.1574 0.2533 0.2533 5.0272 5.0272 5.0533 5.0533 6.3269 6.3269 6.3343 6.3343 6.4688 6.4688 6.5369 6.5369 6.5690 6.5690 6.7278 6.7278 6.7967 6.7967 6.8127 6.8127 6.9313 6.9313 6.9654 6.9654 7.0952 7.0952 7.2065 7.2065 8.4769 8.4769 8.4907 8.4907 10.4321 10.4321 10.5474 10.5474 12.9592 12.9592 13.0147 13.0147 13.4999 13.4999 k = 0.3267 0.5658 0.2353 ( 4926 PWs) bands (ev): -17.9489 -17.9489 -17.9489 -17.9489 -4.8548 -4.8548 -4.8320 -4.8320 -3.1192 -3.1192 -3.0205 -3.0205 -2.8350 -2.8350 -2.8027 -2.8027 0.1572 0.1572 0.2529 0.2529 5.0279 5.0279 5.0541 5.0541 6.3245 6.3245 6.3319 6.3319 6.4692 6.4692 6.5370 6.5370 6.5703 6.5703 6.7280 6.7280 6.7970 6.7970 6.8130 6.8130 6.9312 6.9312 6.9640 6.9640 7.0985 7.0985 7.2100 7.2100 8.4766 8.4766 8.4904 8.4904 10.4312 10.4312 10.5462 10.5462 12.9553 12.9553 13.0105 13.0105 13.4979 13.4979 k = 0.3200 0.5543 0.2353 ( 4946 PWs) bands (ev): -17.9490 -17.9490 -17.9490 -17.9490 -4.8545 -4.8545 -4.8318 -4.8318 -3.1187 -3.1187 -3.0209 -3.0209 -2.8336 -2.8336 -2.8019 -2.8019 0.1564 0.1564 0.2517 0.2517 5.0301 5.0301 5.0563 5.0563 6.3178 6.3178 6.3248 6.3248 6.4700 6.4700 6.5371 6.5371 6.5738 6.5738 6.7286 6.7286 6.7981 6.7981 6.8141 6.8141 6.9310 6.9310 6.9602 6.9602 7.1082 7.1082 7.2201 7.2201 8.4756 8.4756 8.4893 8.4893 10.4286 10.4286 10.5427 10.5427 12.9431 12.9431 12.9970 12.9970 13.4935 13.4935 k = 0.3133 0.5427 0.2353 ( 4964 PWs) bands (ev): -17.9492 -17.9492 -17.9492 -17.9492 -4.8541 -4.8541 -4.8316 -4.8316 -3.1178 -3.1178 -3.0215 -3.0215 -2.8315 -2.8315 -2.8007 -2.8007 0.1551 0.1551 0.2497 0.2497 5.0340 5.0340 5.0602 5.0602 6.3076 6.3076 6.3138 6.3138 6.4707 6.4707 6.5369 6.5369 6.5793 6.5793 6.7295 6.7295 6.8000 6.8000 6.8160 6.8160 6.9312 6.9312 6.9544 6.9544 7.1238 7.1238 7.2363 7.2363 8.4740 8.4740 8.4875 8.4875 10.4247 10.4247 10.5373 10.5373 12.9218 12.9218 12.9732 12.9732 13.4900 13.4900 k = 0.3067 0.5312 0.2353 ( 4966 PWs) bands (ev): -17.9495 -17.9495 -17.9495 -17.9495 -4.8534 -4.8534 -4.8312 -4.8312 -3.1165 -3.1165 -3.0221 -3.0221 -2.8288 -2.8288 -2.7992 -2.7992 0.1534 0.1534 0.2469 0.2469 5.0397 5.0397 5.0658 5.0658 6.2951 6.2951 6.2997 6.2997 6.4709 6.4709 6.5359 6.5359 6.5861 6.5861 6.7305 6.7305 6.8029 6.8029 6.8186 6.8186 6.9321 6.9321 6.9476 6.9476 7.1448 7.1448 7.2577 7.2577 8.4718 8.4718 8.4851 8.4851 10.4199 10.4199 10.5304 10.5304 12.8911 12.8911 12.9390 12.9390 13.4907 13.4907 k = 0.3000 0.5196 0.2353 ( 4974 PWs) bands (ev): -17.9500 -17.9500 -17.9499 -17.9499 -4.8525 -4.8525 -4.8306 -4.8306 -3.1148 -3.1148 -3.0226 -3.0226 -2.8255 -2.8255 -2.7973 -2.7973 0.1511 0.1511 0.2433 0.2433 5.0471 5.0471 5.0732 5.0732 6.2810 6.2810 6.2834 6.2834 6.4704 6.4704 6.5338 6.5338 6.5933 6.5933 6.7311 6.7311 6.8070 6.8070 6.8221 6.8221 6.9339 6.9339 6.9404 6.9404 7.1706 7.1706 7.2835 7.2835 8.4692 8.4692 8.4821 8.4821 10.4145 10.4145 10.5225 10.5225 12.8515 12.8515 12.8953 12.8953 13.4977 13.4977 k = 0.2933 0.5081 0.2353 ( 4972 PWs) bands (ev): -17.9505 -17.9505 -17.9505 -17.9505 -4.8512 -4.8512 -4.8297 -4.8297 -3.1126 -3.1126 -3.0230 -3.0230 -2.8218 -2.8218 -2.7951 -2.7951 0.1483 0.1483 0.2389 0.2389 5.0563 5.0563 5.0823 5.0823 6.2660 6.2660 6.2662 6.2662 6.4691 6.4691 6.5303 6.5303 6.6003 6.6003 6.7313 6.7313 6.8125 6.8125 6.8263 6.8263 6.9335 6.9335 6.9370 6.9370 7.2005 7.2005 7.3130 7.3130 8.4661 8.4661 8.4786 8.4786 10.4089 10.4089 10.5140 10.5140 12.8043 12.8043 12.8438 12.8438 13.5118 13.5118 k = 0.2867 0.4965 0.2353 ( 4972 PWs) bands (ev): -17.9511 -17.9511 -17.9511 -17.9511 -4.8497 -4.8497 -4.8287 -4.8287 -3.1100 -3.1100 -3.0232 -3.0232 -2.8177 -2.8177 -2.7927 -2.7927 0.1450 0.1450 0.2339 0.2339 5.0672 5.0672 5.0932 5.0932 6.2479 6.2479 6.2511 6.2511 6.4670 6.4670 6.5256 6.5256 6.6065 6.6065 6.7307 6.7307 6.8192 6.8192 6.8314 6.8314 6.9274 6.9274 6.9416 6.9416 7.2339 7.2339 7.3457 7.3457 8.4626 8.4626 8.4746 8.4746 10.4035 10.4035 10.5052 10.5052 12.7511 12.7511 12.7863 12.7863 13.5326 13.5326 k = 0.2800 0.4850 0.2353 ( 4978 PWs) bands (ev): -17.9518 -17.9518 -17.9518 -17.9518 -4.8478 -4.8478 -4.8273 -4.8273 -3.1069 -3.1069 -3.0231 -3.0231 -2.8134 -2.8134 -2.7901 -2.7901 0.1413 0.1413 0.2281 0.2281 5.0799 5.0799 5.1057 5.1057 6.2298 6.2298 6.2362 6.2362 6.4644 6.4644 6.5195 6.5195 6.6113 6.6113 6.7293 6.7293 6.8273 6.8273 6.8371 6.8371 6.9225 6.9225 6.9480 6.9480 7.2701 7.2701 7.3808 7.3808 8.4588 8.4588 8.4702 8.4702 10.3986 10.3986 10.4967 10.4967 12.6934 12.6934 12.7247 12.7247 13.5597 13.5597 k = 0.2733 0.4734 0.2353 ( 4982 PWs) bands (ev): -17.9527 -17.9527 -17.9527 -17.9527 -4.8457 -4.8457 -4.8257 -4.8257 -3.1034 -3.1034 -3.0228 -3.0228 -2.8089 -2.8089 -2.7873 -2.7873 0.1371 0.1371 0.2217 0.2217 5.0942 5.0942 5.1198 5.1198 6.2122 6.2122 6.2218 6.2218 6.4614 6.4614 6.5125 6.5125 6.6147 6.6147 6.7269 6.7269 6.8364 6.8364 6.8431 6.8431 6.9194 6.9194 6.9564 6.9564 7.3087 7.3087 7.4180 7.4180 8.4549 8.4549 8.4655 8.4655 10.3946 10.3946 10.4887 10.4887 12.6326 12.6326 12.6604 12.6604 13.5917 13.5917 k = 0.2667 0.4619 0.2353 ( 4986 PWs) bands (ev): -17.9537 -17.9537 -17.9536 -17.9536 -4.8431 -4.8431 -4.8238 -4.8238 -3.0994 -3.0994 -3.0222 -3.0222 -2.8042 -2.8042 -2.7843 -2.7843 0.1325 0.1325 0.2146 0.2146 5.1100 5.1100 5.1353 5.1353 6.1954 6.1954 6.2080 6.2080 6.4580 6.4580 6.5045 6.5045 6.6167 6.6167 6.7239 6.7239 6.8458 6.8458 6.8491 6.8491 6.9189 6.9189 6.9671 6.9671 7.3490 7.3490 7.4567 7.4567 8.4510 8.4510 8.4607 8.4607 10.3918 10.3918 10.4817 10.4817 12.5700 12.5700 12.5946 12.5946 13.6273 13.6273 k = 0.2600 0.4503 0.2353 ( 4974 PWs) bands (ev): -17.9547 -17.9547 -17.9547 -17.9547 -4.8402 -4.8402 -4.8215 -4.8215 -3.0950 -3.0950 -3.0213 -3.0213 -2.7993 -2.7993 -2.7812 -2.7812 0.1275 0.1275 0.2069 0.2069 5.1272 5.1272 5.1521 5.1521 6.1797 6.1797 6.1950 6.1950 6.4545 6.4545 6.4959 6.4959 6.6175 6.6175 6.7203 6.7203 6.8543 6.8543 6.8549 6.8549 6.9223 6.9223 6.9803 6.9803 7.3905 7.3905 7.4966 7.4966 8.4472 8.4472 8.4559 8.4559 10.3906 10.3906 10.4760 10.4760 12.5063 12.5063 12.5282 12.5282 13.6641 13.6641 k = 0.2533 0.4388 0.2353 ( 4962 PWs) bands (ev): -17.9559 -17.9559 -17.9559 -17.9559 -4.8369 -4.8369 -4.8190 -4.8190 -3.0902 -3.0902 -3.0200 -3.0200 -2.7943 -2.7943 -2.7779 -2.7779 0.1220 0.1220 0.1987 0.1987 5.1456 5.1456 5.1700 5.1700 6.1652 6.1652 6.1829 6.1829 6.4511 6.4511 6.4868 6.4868 6.6173 6.6173 6.7162 6.7162 6.8601 6.8601 6.8606 6.8606 6.9307 6.9307 6.9963 6.9963 7.4326 7.4326 7.5369 7.5369 8.4438 8.4438 8.4513 8.4513 10.3911 10.3911 10.4719 10.4719 12.4423 12.4423 12.4617 12.4617 13.6972 13.6972 k = 0.2467 0.4272 0.2353 ( 4966 PWs) bands (ev): -17.9572 -17.9572 -17.9572 -17.9572 -4.8333 -4.8333 -4.8161 -4.8161 -3.0851 -3.0851 -3.0186 -3.0186 -2.7891 -2.7891 -2.7744 -2.7744 0.1162 0.1162 0.1900 0.1900 5.1650 5.1650 5.1889 5.1889 6.1520 6.1520 6.1714 6.1714 6.4477 6.4477 6.4775 6.4775 6.6164 6.6164 6.7119 6.7119 6.8642 6.8642 6.8646 6.8646 6.9446 6.9446 7.0150 7.0150 7.4749 7.4749 7.5772 7.5772 8.4410 8.4410 8.4471 8.4471 10.3939 10.3939 10.4699 10.4699 12.3786 12.3786 12.3959 12.3959 13.7164 13.7164 k = 0.2400 0.4157 0.2353 ( 4964 PWs) bands (ev): -17.9586 -17.9586 -17.9586 -17.9586 -4.8293 -4.8293 -4.8128 -4.8128 -3.0797 -3.0797 -3.0168 -3.0168 -2.7837 -2.7837 -2.7707 -2.7707 0.1101 0.1101 0.1808 0.1808 5.1853 5.1853 5.2085 5.2085 6.1401 6.1401 6.1606 6.1606 6.4446 6.4446 6.4682 6.4682 6.6151 6.6151 6.7075 6.7075 6.8657 6.8657 6.8684 6.8684 6.9635 6.9635 7.0366 7.0366 7.5166 7.5166 7.6169 7.6169 8.4392 8.4392 8.4437 8.4437 10.3990 10.3990 10.4701 10.4701 12.3157 12.3157 12.3310 12.3310 13.7053 13.7053 k = 0.2333 0.4041 0.2353 ( 4972 PWs) bands (ev): -17.9601 -17.9601 -17.9601 -17.9601 -4.8249 -4.8249 -4.8092 -4.8092 -3.0741 -3.0741 -3.0149 -3.0149 -2.7781 -2.7781 -2.7668 -2.7668 0.1036 0.1036 0.1711 0.1711 5.2062 5.2062 5.2287 5.2287 6.1295 6.1295 6.1504 6.1504 6.4417 6.4417 6.4591 6.4591 6.6138 6.6138 6.7031 6.7031 6.8659 6.8659 6.8714 6.8714 6.9863 6.9863 7.0610 7.0610 7.5573 7.5573 7.6553 7.6553 8.4389 8.4389 8.4413 8.4413 10.4067 10.4067 10.4729 10.4729 12.2538 12.2538 12.2674 12.2674 13.6602 13.6602 k = 0.2267 0.3926 0.2353 ( 4980 PWs) bands (ev): -17.9617 -17.9617 -17.9617 -17.9617 -4.8203 -4.8203 -4.8053 -4.8053 -3.0682 -3.0682 -3.0128 -3.0128 -2.7723 -2.7723 -2.7626 -2.7626 0.0968 0.0968 0.1611 0.1611 5.2277 5.2277 5.2492 5.2492 6.1200 6.1200 6.1406 6.1406 6.4392 6.4392 6.4503 6.4503 6.6129 6.6129 6.6988 6.6988 6.8653 6.8653 6.8738 6.8738 7.0128 7.0128 7.0884 7.0884 7.5963 7.5963 7.6917 7.6917 8.4404 8.4404 8.4404 8.4404 10.4174 10.4174 10.4785 10.4785 12.1933 12.1933 12.2053 12.2053 13.5945 13.5945 k = 0.2200 0.3811 0.2353 ( 4976 PWs) bands (ev): -17.9634 -17.9634 -17.9634 -17.9634 -4.8153 -4.8153 -4.8011 -4.8011 -3.0621 -3.0621 -3.0105 -3.0105 -2.7663 -2.7663 -2.7581 -2.7581 0.0897 0.0897 0.1507 0.1507 5.2496 5.2496 5.2700 5.2700 6.1116 6.1116 6.1310 6.1310 6.4371 6.4371 6.4421 6.4421 6.6125 6.6125 6.6948 6.6948 6.8644 6.8644 6.8757 6.8757 7.0427 7.0427 7.1188 7.1188 7.6330 7.6330 7.7253 7.7253 8.4416 8.4416 8.4444 8.4444 10.4311 10.4311 10.4872 10.4872 12.1344 12.1344 12.1451 12.1451 13.5192 13.5192 k = 0.2133 0.3695 0.2353 ( 4972 PWs) bands (ev): -17.9652 -17.9652 -17.9652 -17.9652 -4.8100 -4.8100 -4.7967 -4.7967 -3.0560 -3.0560 -3.0082 -3.0082 -2.7599 -2.7599 -2.7532 -2.7532 0.0823 0.0823 0.1399 0.1399 5.2717 5.2717 5.2908 5.2908 6.1040 6.1040 6.1214 6.1214 6.4346 6.4346 6.4354 6.4354 6.6130 6.6130 6.6912 6.6912 6.8632 6.8632 6.8770 6.8770 7.0759 7.0759 7.1524 7.1524 7.6666 7.6666 7.7553 7.7553 8.4453 8.4453 8.4515 8.4515 10.4480 10.4480 10.4992 10.4992 12.0773 12.0773 12.0867 12.0867 13.4395 13.4395 k = 0.2067 0.3580 0.2353 ( 4968 PWs) bands (ev): -17.9671 -17.9671 -17.9671 -17.9671 -4.8045 -4.8045 -4.7920 -4.7920 -3.0498 -3.0498 -3.0057 -3.0057 -2.7532 -2.7532 -2.7479 -2.7479 0.0745 0.0745 0.1288 0.1288 5.2940 5.2940 5.3116 5.3116 6.0969 6.0969 6.1117 6.1117 6.4280 6.4280 6.4339 6.4339 6.6145 6.6145 6.6879 6.6879 6.8617 6.8617 6.8779 6.8779 7.1125 7.1125 7.1891 7.1891 7.6964 7.6964 7.7810 7.7810 8.4522 8.4522 8.4623 8.4623 10.4684 10.4684 10.5146 10.5146 12.0222 12.0222 12.0306 12.0306 13.3578 13.3578 k = 0.2000 0.3464 0.2353 ( 4972 PWs) bands (ev): -17.9690 -17.9690 -17.9690 -17.9690 -4.7987 -4.7987 -4.7870 -4.7870 -3.0437 -3.0437 -3.0032 -3.0032 -2.7461 -2.7461 -2.7422 -2.7422 0.0665 0.0665 0.1174 0.1174 5.3163 5.3163 5.3323 5.3323 6.0901 6.0901 6.1017 6.1017 6.4222 6.4222 6.4324 6.4324 6.6170 6.6170 6.6851 6.6851 6.8602 6.8602 6.8783 6.8783 7.1528 7.1528 7.2292 7.2292 7.7217 7.7217 7.8017 7.8017 8.4628 8.4628 8.4773 8.4773 10.4923 10.4923 10.5337 10.5337 11.9693 11.9693 11.9767 11.9767 13.2756 13.2756 k = 0.1933 0.3349 0.2353 ( 4976 PWs) bands (ev): -17.9710 -17.9710 -17.9710 -17.9710 -4.7928 -4.7928 -4.7819 -4.7819 -3.0376 -3.0376 -3.0007 -3.0007 -2.7385 -2.7385 -2.7359 -2.7359 0.0583 0.0583 0.1057 0.1057 5.3385 5.3385 5.3527 5.3527 6.0833 6.0833 6.0915 6.0915 6.4174 6.4174 6.4310 6.4310 6.6207 6.6207 6.6827 6.6827 6.8584 6.8584 6.8783 6.8783 7.1968 7.1968 7.2728 7.2728 7.7421 7.7421 7.8169 7.8169 8.4776 8.4776 8.4970 8.4970 10.5198 10.5198 10.5565 10.5565 11.9187 11.9187 11.9252 11.9252 13.1937 13.1937 k = 0.1867 0.3233 0.2353 ( 4974 PWs) bands (ev): -17.9731 -17.9731 -17.9731 -17.9731 -4.7867 -4.7867 -4.7766 -4.7766 -3.0316 -3.0316 -2.9982 -2.9982 -2.7305 -2.7305 -2.7291 -2.7291 0.0497 0.0497 0.0938 0.0938 5.3607 5.3607 5.3730 5.3730 6.0763 6.0763 6.0808 6.0808 6.4136 6.4136 6.4294 6.4294 6.6255 6.6255 6.6808 6.6808 6.8566 6.8566 6.8779 6.8779 7.2447 7.2447 7.3200 7.3200 7.7572 7.7572 7.8264 7.8264 8.4970 8.4970 8.5214 8.5214 10.5510 10.5510 10.5830 10.5830 11.8705 11.8705 11.8764 11.8764 13.1125 13.1125 k = 0.1800 0.3118 0.2353 ( 4974 PWs) bands (ev): -17.9752 -17.9752 -17.9752 -17.9752 -4.7805 -4.7805 -4.7712 -4.7712 -3.0258 -3.0258 -2.9958 -2.9958 -2.7219 -2.7219 -2.7216 -2.7216 0.0409 0.0409 0.0817 0.0817 5.3829 5.3829 5.3931 5.3931 6.0689 6.0689 6.0698 6.0698 6.4106 6.4106 6.4277 6.4277 6.6312 6.6312 6.6794 6.6794 6.8545 6.8545 6.8772 6.8772 7.2968 7.2968 7.3709 7.3709 7.7669 7.7669 7.8304 7.8304 8.5210 8.5210 8.5504 8.5504 10.5859 10.5859 10.6134 10.6134 11.8250 11.8250 11.8303 11.8303 13.0324 13.0324 k = 0.1733 0.3002 0.2353 ( 4978 PWs) bands (ev): -17.9774 -17.9774 -17.9774 -17.9774 -4.7742 -4.7742 -4.7657 -4.7657 -3.0202 -3.0202 -2.9934 -2.9934 -2.7135 -2.7135 -2.7128 -2.7128 0.0318 0.0318 0.0694 0.0694 5.4049 5.4049 5.4131 5.4131 6.0584 6.0584 6.0610 6.0610 6.4084 6.4084 6.4257 6.4257 6.6376 6.6376 6.6785 6.6785 6.8524 6.8524 6.8761 6.8761 7.3529 7.3529 7.4255 7.4255 7.7715 7.7715 7.8291 7.8291 8.5496 8.5496 8.5837 8.5837 10.6243 10.6243 10.6476 10.6476 11.7822 11.7822 11.7871 11.7871 12.9537 12.9537 k = 0.1667 0.2887 0.2353 ( 4982 PWs) bands (ev): -17.9796 -17.9796 -17.9796 -17.9796 -4.7679 -4.7679 -4.7601 -4.7601 -3.0149 -3.0149 -2.9912 -2.9912 -2.7046 -2.7046 -2.7031 -2.7031 0.0225 0.0225 0.0569 0.0569 5.4268 5.4268 5.4328 5.4328 6.0467 6.0467 6.0526 6.0526 6.4067 6.4067 6.4235 6.4235 6.6444 6.6444 6.6780 6.6780 6.8500 6.8500 6.8748 6.8748 7.4130 7.4130 7.4835 7.4835 7.7715 7.7715 7.8233 7.8233 8.5824 8.5824 8.6207 8.6207 10.6663 10.6663 10.6854 10.6854 11.7424 11.7424 11.7470 11.7470 12.8766 12.8766 k = 0.1600 0.2771 0.2353 ( 4990 PWs) bands (ev): -17.9818 -17.9818 -17.9818 -17.9818 -4.7617 -4.7617 -4.7546 -4.7546 -3.0099 -3.0099 -2.9890 -2.9890 -2.6951 -2.6951 -2.6929 -2.6929 0.0129 0.0129 0.0442 0.0442 5.4486 5.4486 5.4524 5.4524 6.0347 6.0347 6.0435 6.0435 6.4056 6.4056 6.4211 6.4211 6.6516 6.6516 6.6780 6.6780 6.8476 6.8476 6.8731 6.8731 7.4770 7.4770 7.5446 7.5446 7.7678 7.7678 7.8137 7.8137 8.6191 8.6191 8.6609 8.6609 10.7116 10.7116 10.7268 10.7268 11.7056 11.7056 11.7102 11.7102 12.8012 12.8012 k = 0.1533 0.2656 0.2353 ( 4986 PWs) bands (ev): -17.9841 -17.9841 -17.9841 -17.9841 -4.7555 -4.7555 -4.7491 -4.7491 -3.0051 -3.0051 -2.9869 -2.9869 -2.6848 -2.6848 -2.6821 -2.6821 0.0031 0.0031 0.0315 0.0315 5.4703 5.4703 5.4720 5.4720 6.0225 6.0225 6.0340 6.0340 6.4047 6.4047 6.4185 6.4185 6.6587 6.6587 6.6783 6.6783 6.8450 6.8450 6.8711 6.8711 7.5442 7.5442 7.6069 7.6069 7.7629 7.7629 7.8016 7.8016 8.6590 8.6590 8.7038 8.7038 10.7599 10.7599 10.7714 10.7714 11.6723 11.6723 11.6770 11.6770 12.7275 12.7275 k = 0.1467 0.2540 0.2353 ( 4994 PWs) bands (ev): -17.9863 -17.9863 -17.9863 -17.9863 -4.7494 -4.7494 -4.7437 -4.7437 -3.0007 -3.0007 -2.9850 -2.9850 -2.6739 -2.6739 -2.6708 -2.6708 -0.0070 -0.0070 0.0186 0.0186 5.4915 5.4915 5.4919 5.4919 6.0102 6.0102 6.0239 6.0239 6.4039 6.4039 6.4157 6.4157 6.6657 6.6657 6.6788 6.6788 6.8424 6.8424 6.8688 6.8688 7.6127 7.6127 7.6633 7.6633 7.7644 7.7644 7.7892 7.7892 8.7016 8.7016 8.7487 8.7487 10.8110 10.8110 10.8189 10.8189 11.6427 11.6427 11.6477 11.6477 12.6556 12.6556 k = 0.1400 0.2425 0.2353 ( 4982 PWs) bands (ev): -17.9886 -17.9886 -17.9886 -17.9886 -4.7435 -4.7435 -4.7384 -4.7384 -2.9966 -2.9966 -2.9831 -2.9831 -2.6623 -2.6623 -2.6589 -2.6589 -0.0172 -0.0172 0.0056 0.0056 5.5110 5.5110 5.5135 5.5135 5.9979 5.9979 6.0135 6.0135 6.4032 6.4032 6.4129 6.4129 6.6723 6.6723 6.6796 6.6796 6.8396 6.8396 6.8662 6.8662 7.6746 7.6746 7.6904 7.6904 7.7850 7.7850 7.7964 7.7964 8.7465 8.7465 8.7952 8.7952 10.8643 10.8643 10.8687 10.8687 11.6171 11.6171 11.6227 11.6227 12.5855 12.5855 k = 0.1333 0.2309 0.2353 ( 4994 PWs) bands (ev): -17.9908 -17.9908 -17.9908 -17.9908 -4.7377 -4.7377 -4.7333 -4.7333 -2.9929 -2.9929 -2.9814 -2.9814 -2.6501 -2.6501 -2.6465 -2.6465 -0.0276 -0.0276 -0.0073 -0.0073 5.5304 5.5304 5.5348 5.5348 5.9857 5.9857 6.0028 6.0028 6.4023 6.4023 6.4099 6.4099 6.6782 6.6782 6.6806 6.6806 6.8368 6.8368 6.8633 6.8633 7.6856 7.6856 7.7019 7.7019 7.8171 7.8171 7.8615 7.8615 8.7932 8.7932 8.8428 8.8428 10.9190 10.9190 10.9201 10.9201 11.5960 11.5960 11.6025 11.6025 12.5171 12.5171 k = 0.1267 0.2194 0.2353 ( 4998 PWs) bands (ev): -17.9930 -17.9930 -17.9930 -17.9930 -4.7322 -4.7322 -4.7283 -4.7283 -2.9895 -2.9895 -2.9798 -2.9798 -2.6373 -2.6373 -2.6337 -2.6337 -0.0381 -0.0381 -0.0203 -0.0203 5.5498 5.5498 5.5559 5.5559 5.9737 5.9737 5.9919 5.9919 6.4013 6.4013 6.4069 6.4069 6.6816 6.6816 6.6836 6.6836 6.8339 6.8339 6.8601 6.8601 7.6699 7.6699 7.6930 7.6930 7.8874 7.8874 7.9392 7.9392 8.8411 8.8411 8.8912 8.8912 10.9721 10.9721 10.9743 10.9743 11.5801 11.5801 11.5878 11.5878 12.4505 12.4505 k = 0.1200 0.2078 0.2353 ( 4992 PWs) bands (ev): -17.9952 -17.9952 -17.9952 -17.9952 -4.7269 -4.7269 -4.7235 -4.7235 -2.9864 -2.9864 -2.9782 -2.9782 -2.6240 -2.6240 -2.6205 -2.6205 -0.0487 -0.0487 -0.0332 -0.0332 5.5691 5.5691 5.5768 5.5768 5.9620 5.9620 5.9809 5.9809 6.4001 6.4001 6.4039 6.4039 6.6828 6.6828 6.6883 6.6883 6.8311 6.8311 6.8566 6.8566 7.6502 7.6502 7.6730 7.6730 7.9712 7.9712 8.0229 8.0229 8.8900 8.8900 8.9400 8.9400 11.0234 11.0234 11.0289 11.0289 11.5701 11.5701 11.5794 11.5794 12.3857 12.3857 k = 0.1133 0.1963 0.2353 ( 4996 PWs) bands (ev): -17.9973 -17.9973 -17.9973 -17.9973 -4.7218 -4.7218 -4.7190 -4.7190 -2.9835 -2.9835 -2.9768 -2.9768 -2.6104 -2.6104 -2.6070 -2.6070 -0.0594 -0.0594 -0.0460 -0.0460 5.5882 5.5882 5.5973 5.5973 5.9507 5.9507 5.9700 5.9700 6.3985 6.3985 6.4008 6.4008 6.6839 6.6839 6.6922 6.6922 6.8282 6.8282 6.8528 6.8528 7.6286 7.6286 7.6495 7.6495 8.0608 8.0608 8.1107 8.1107 8.9393 8.9393 8.9889 8.9889 11.0724 11.0724 11.0810 11.0810 11.5669 11.5669 11.5780 11.5780 12.3228 12.3228 k = 0.1067 0.1848 0.2353 ( 4988 PWs) bands (ev): -17.9994 -17.9994 -17.9994 -17.9994 -4.7171 -4.7171 -4.7147 -4.7147 -2.9810 -2.9810 -2.9755 -2.9755 -2.5964 -2.5964 -2.5933 -2.5933 -0.0701 -0.0701 -0.0587 -0.0587 5.6072 5.6072 5.6174 5.6174 5.9398 5.9398 5.9593 5.9593 6.3966 6.3966 6.3976 6.3976 6.6852 6.6852 6.6955 6.6955 6.8255 6.8255 6.8489 6.8489 7.6058 7.6058 7.6245 7.6245 8.1543 8.1543 8.2018 8.2018 8.9888 8.9888 9.0374 9.0374 11.1175 11.1175 11.1289 11.1289 11.5714 11.5714 11.5842 11.5842 12.2623 12.2623 k = 0.1000 0.1732 0.2353 ( 4988 PWs) bands (ev): -18.0014 -18.0014 -18.0014 -18.0014 -4.7126 -4.7126 -4.7106 -4.7106 -2.9787 -2.9787 -2.9743 -2.9743 -2.5823 -2.5823 -2.5795 -2.5795 -0.0807 -0.0807 -0.0711 -0.0711 5.6258 5.6258 5.6368 5.6368 5.9296 5.9296 5.9489 5.9489 6.3944 6.3944 6.3945 6.3945 6.6863 6.6863 6.6979 6.6979 6.8228 6.8228 6.8447 6.8447 7.5826 7.5826 7.5990 7.5990 8.2508 8.2508 8.2957 8.2957 9.0381 9.0381 9.0853 9.0853 11.1568 11.1568 11.1704 11.1704 11.5838 11.5838 11.5979 11.5979 12.2053 12.2053 k = 0.0933 0.1617 0.2353 ( 4990 PWs) bands (ev): -18.0033 -18.0033 -18.0033 -18.0033 -4.7085 -4.7085 -4.7068 -4.7068 -2.9767 -2.9767 -2.9732 -2.9732 -2.5682 -2.5682 -2.5656 -2.5656 -0.0912 -0.0912 -0.0833 -0.0833 5.6439 5.6439 5.6555 5.6555 5.9201 5.9201 5.9389 5.9389 6.3913 6.3913 6.3920 6.3920 6.6875 6.6875 6.6996 6.6996 6.8201 6.8201 6.8403 6.8403 7.5593 7.5593 7.5734 7.5734 8.3498 8.3498 8.3919 8.3919 9.0867 9.0867 9.1322 9.1322 11.1894 11.1894 11.2043 11.2043 11.6024 11.6024 11.6172 11.6172 12.1537 12.1537 k = 0.0867 0.1501 0.2353 ( 4986 PWs) bands (ev): -18.0051 -18.0051 -18.0051 -18.0051 -4.7047 -4.7047 -4.7033 -4.7033 -2.9749 -2.9749 -2.9721 -2.9721 -2.5541 -2.5541 -2.5519 -2.5519 -0.1016 -0.1016 -0.0950 -0.0950 5.6615 5.6615 5.6733 5.6733 5.9115 5.9115 5.9295 5.9295 6.3881 6.3881 6.3892 6.3892 6.6887 6.6887 6.7008 6.7008 6.8176 6.8176 6.8358 6.8358 7.5363 7.5363 7.5482 7.5482 8.4506 8.4506 8.4900 8.4900 9.1344 9.1344 9.1778 9.1778 11.2147 11.2147 11.2300 11.2300 11.6234 11.6234 11.6376 11.6376 12.1114 12.1114 k = 0.0800 0.1386 0.2353 ( 4994 PWs) bands (ev): -18.0068 -18.0068 -18.0068 -18.0068 -4.7012 -4.7012 -4.7001 -4.7001 -2.9733 -2.9733 -2.9712 -2.9712 -2.5403 -2.5403 -2.5385 -2.5385 -0.1116 -0.1116 -0.1064 -0.1064 5.6782 5.6782 5.6900 5.6900 5.9038 5.9038 5.9207 5.9207 6.3849 6.3849 6.3862 6.3862 6.6899 6.6899 6.7013 6.7013 6.8151 6.8151 6.8312 6.8312 7.5138 7.5138 7.5236 7.5236 8.5528 8.5528 8.5895 8.5895 9.1806 9.1806 9.2217 9.2217 11.2331 11.2331 11.2478 11.2478 11.6396 11.6396 11.6519 11.6519 12.0839 12.0839 k = 0.0733 0.1270 0.2353 ( 4994 PWs) bands (ev): -18.0085 -18.0085 -18.0085 -18.0085 -4.6980 -4.6980 -4.6971 -4.6971 -2.9719 -2.9719 -2.9703 -2.9703 -2.5269 -2.5269 -2.5254 -2.5254 -0.1213 -0.1213 -0.1172 -0.1172 5.6940 5.6940 5.7053 5.7053 5.8973 5.8973 5.9128 5.9128 6.3817 6.3817 6.3831 6.3831 6.6910 6.6910 6.7015 6.7015 6.8128 6.8128 6.8266 6.8266 7.4921 7.4921 7.5001 7.5001 8.6559 8.6559 8.6898 8.6898 9.2251 9.2251 9.2636 9.2636 11.2443 11.2443 11.2578 11.2578 11.6439 11.6439 11.6533 11.6533 12.0777 12.0777 k = 0.0667 0.1155 0.2353 ( 4992 PWs) bands (ev): -18.0100 -18.0100 -18.0100 -18.0100 -4.6951 -4.6951 -4.6945 -4.6945 -2.9707 -2.9707 -2.9695 -2.9695 -2.5140 -2.5140 -2.5128 -2.5128 -0.1306 -0.1306 -0.1275 -0.1275 5.7087 5.7087 5.7190 5.7190 5.8922 5.8922 5.9059 5.9059 6.3785 6.3785 6.3798 6.3798 6.6922 6.6922 6.7013 6.7013 6.8106 6.8106 6.8221 6.8221 7.4715 7.4715 7.4778 7.4778 8.7592 8.7592 8.7903 8.7903 9.2675 9.2675 9.3031 9.3031 11.2475 11.2475 11.2592 11.2592 11.6340 11.6340 11.6402 11.6402 12.0948 12.0948 k = 0.0600 0.1039 0.2353 ( 4992 PWs) bands (ev): -18.0114 -18.0114 -18.0114 -18.0114 -4.6925 -4.6925 -4.6921 -4.6921 -2.9696 -2.9696 -2.9688 -2.9688 -2.5018 -2.5018 -2.5008 -2.5008 -0.1394 -0.1394 -0.1371 -0.1371 5.7219 5.7219 5.7310 5.7310 5.8884 5.8884 5.9001 5.9001 6.3753 6.3753 6.3765 6.3765 6.6933 6.6933 6.7009 6.7009 6.8084 6.8084 6.8177 6.8177 7.4522 7.4522 7.4570 7.4570 8.8619 8.8619 8.8902 8.8902 9.3073 9.3073 9.3399 9.3399 11.2402 11.2402 11.2498 11.2498 11.6155 11.6155 11.6190 11.6190 12.1308 12.1308 k = 0.0533 0.0924 0.2353 ( 4984 PWs) bands (ev): -18.0127 -18.0127 -18.0127 -18.0127 -4.6903 -4.6903 -4.6900 -4.6900 -2.9687 -2.9687 -2.9681 -2.9681 -2.4904 -2.4904 -2.4897 -2.4897 -0.1475 -0.1475 -0.1459 -0.1459 5.7335 5.7335 5.7410 5.7410 5.8861 5.8861 5.8956 5.8956 6.3723 6.3723 6.3732 6.3732 6.6944 6.6944 6.7005 6.7005 6.8064 6.8064 6.8135 6.8135 7.4344 7.4344 7.4379 7.4379 8.9631 8.9631 8.9886 8.9886 9.3443 9.3443 9.3736 9.3736 11.2196 11.2196 11.2271 11.2271 11.5977 11.5977 11.5990 11.5990 12.1783 12.1783 k = 0.0467 0.0808 0.2353 ( 4982 PWs) bands (ev): -18.0138 -18.0138 -18.0138 -18.0138 -4.6883 -4.6883 -4.6881 -4.6881 -2.9680 -2.9680 -2.9676 -2.9676 -2.4800 -2.4800 -2.4795 -2.4795 -0.1550 -0.1550 -0.1539 -0.1539 5.7432 5.7432 5.7490 5.7490 5.8853 5.8853 5.8924 5.8924 6.3693 6.3693 6.3700 6.3700 6.6954 6.6954 6.7000 6.7000 6.8044 6.8044 6.8096 6.8096 7.4182 7.4182 7.4207 7.4207 9.0615 9.0615 9.0842 9.0842 9.3782 9.3782 9.4040 9.4040 11.1847 11.1847 11.1900 11.1900 11.5872 11.5872 11.5872 11.5872 12.2303 12.2303 k = 0.0400 0.0693 0.2353 ( 4980 PWs) bands (ev): -18.0148 -18.0148 -18.0148 -18.0148 -4.6867 -4.6867 -4.6865 -4.6865 -2.9673 -2.9673 -2.9671 -2.9671 -2.4706 -2.4706 -2.4703 -2.4703 -0.1617 -0.1617 -0.1609 -0.1609 5.7511 5.7511 5.7552 5.7552 5.8856 5.8856 5.8906 5.8906 6.3665 6.3665 6.3670 6.3670 6.6963 6.6963 6.6995 6.6995 6.8025 6.8025 6.8060 6.8060 7.4039 7.4039 7.4055 7.4055 9.1557 9.1557 9.1755 9.1755 9.4086 9.4086 9.4308 9.4308 11.1375 11.1375 11.1411 11.1411 11.5852 11.5852 11.5858 11.5858 12.2813 12.2813 k = 0.0333 0.0577 0.2353 ( 4984 PWs) bands (ev): -18.0156 -18.0156 -18.0156 -18.0156 -4.6853 -4.6853 -4.6852 -4.6852 -2.9668 -2.9668 -2.9666 -2.9666 -2.4625 -2.4625 -2.4623 -2.4623 -0.1675 -0.1675 -0.1671 -0.1671 5.7571 5.7571 5.7597 5.7597 5.8868 5.8868 5.8899 5.8899 6.3639 6.3639 6.3642 6.3642 6.6971 6.6971 6.6991 6.6991 6.8007 6.8007 6.8029 6.8029 7.3914 7.3914 7.3924 7.3924 9.2435 9.2435 9.2601 9.2601 9.4357 9.4357 9.4539 9.4539 11.0831 11.0831 11.0854 11.0854 11.5911 11.5911 11.5918 11.5918 12.3270 12.3270 k = 0.0267 0.0462 0.2353 ( 4988 PWs) bands (ev): -18.0163 -18.0163 -18.0163 -18.0163 -4.6841 -4.6841 -4.6841 -4.6841 -2.9663 -2.9663 -2.9663 -2.9663 -2.4557 -2.4557 -2.4556 -2.4556 -0.1724 -0.1724 -0.1721 -0.1721 5.7613 5.7613 5.7627 5.7627 5.8885 5.8885 5.8901 5.8901 6.3616 6.3616 6.3618 6.3618 6.6977 6.6977 6.6988 6.6988 6.7992 6.7992 6.8004 6.8004 7.3811 7.3811 7.3816 7.3816 9.3222 9.3222 9.3353 9.3353 9.4594 9.4594 9.4735 9.4735 11.0274 11.0274 11.0287 11.0287 11.6016 11.6016 11.6022 11.6022 12.3643 12.3643 k = 0.0200 0.0346 0.2353 ( 4988 PWs) bands (ev): -18.0169 -18.0169 -18.0169 -18.0169 -4.6833 -4.6833 -4.6833 -4.6833 -2.9660 -2.9660 -2.9660 -2.9660 -2.4504 -2.4504 -2.4503 -2.4503 -0.1762 -0.1762 -0.1761 -0.1761 5.7642 5.7642 5.7648 5.7648 5.8902 5.8902 5.8910 5.8910 6.3598 6.3598 6.3599 6.3599 6.6982 6.6982 6.6987 6.6987 6.7979 6.7979 6.7984 6.7984 7.3729 7.3729 7.3731 7.3731 9.3881 9.3881 9.3971 9.3971 9.4806 9.4806 9.4900 9.4900 10.9760 10.9760 10.9766 10.9766 11.6135 11.6135 11.6138 11.6138 12.3914 12.3914 k = 0.0133 0.0231 0.2353 ( 4988 PWs) bands (ev): -18.0173 -18.0173 -18.0173 -18.0173 -4.6827 -4.6827 -4.6827 -4.6827 -2.9658 -2.9658 -2.9658 -2.9658 -2.4465 -2.4465 -2.4465 -2.4465 -0.1790 -0.1790 -0.1790 -0.1790 5.7659 5.7659 5.7661 5.7661 5.8917 5.8917 5.8919 5.8919 6.3584 6.3584 6.3584 6.3584 6.6985 6.6985 6.6986 6.6986 6.7968 6.7968 6.7970 6.7970 7.3670 7.3670 7.3670 7.3670 9.4364 9.4364 9.4405 9.4405 9.5004 9.5004 9.5047 9.5047 10.9343 10.9343 10.9344 10.9344 11.6241 11.6241 11.6242 11.6242 12.4085 12.4085 k = 0.0067 0.0115 0.2353 ( 5000 PWs) bands (ev): -18.0175 -18.0175 -18.0175 -18.0175 -4.6823 -4.6823 -4.6823 -4.6823 -2.9657 -2.9657 -2.9657 -2.9657 -2.4441 -2.4441 -2.4441 -2.4441 -0.1808 -0.1808 -0.1808 -0.1808 5.7668 5.7668 5.7668 5.7668 5.8926 5.8926 5.8927 5.8927 6.3575 6.3575 6.3575 6.3575 6.6986 6.6986 6.6986 6.6986 6.7961 6.7961 6.7961 6.7961 7.3634 7.3634 7.3634 7.3634 9.4630 9.4630 9.4637 9.4637 9.5171 9.5171 9.5177 9.5177 10.9069 10.9069 10.9069 10.9069 11.6313 11.6313 11.6313 11.6313 12.4169 12.4169 k = 0.0000 0.0000 0.2353 ( 5016 PWs) bands (ev): -18.0176 -18.0176 -18.0176 -18.0176 -4.6822 -4.6822 -4.6822 -4.6822 -2.9656 -2.9656 -2.9656 -2.9656 -2.4433 -2.4433 -2.4433 -2.4433 -0.1813 -0.1813 -0.1813 -0.1813 5.7670 5.7670 5.7670 5.7670 5.8929 5.8929 5.8929 5.8929 6.3572 6.3572 6.3572 6.3572 6.6986 6.6986 6.6986 6.6986 6.7958 6.7958 6.7958 6.7958 7.3621 7.3621 7.3621 7.3621 9.4706 9.4706 9.4706 9.4706 9.5237 9.5237 9.5237 9.5237 10.8973 10.8973 10.8973 10.8973 11.6339 11.6339 11.6339 11.6339 12.4188 12.4188 k = 0.5000 0.2887 0.2353 ( 4992 PWs) bands (ev): -17.9565 -17.9565 -17.9565 -17.9565 -4.8428 -4.8428 -4.8428 -4.8428 -3.1043 -3.1043 -3.1043 -3.1043 -2.6841 -2.6841 -2.6841 -2.6841 0.1281 0.1281 0.1281 0.1281 5.0569 5.0569 5.0569 5.0569 6.2885 6.2885 6.2885 6.2885 6.3806 6.3806 6.3806 6.3806 6.6587 6.6587 6.6587 6.6587 6.8221 6.8221 6.8221 6.8221 6.8982 6.8982 6.8982 6.8982 7.9736 7.9736 7.9736 7.9736 8.3812 8.3812 8.3812 8.3812 10.0559 10.0559 10.0559 10.0559 11.8684 11.8684 11.8684 11.8684 14.4636 14.4636 k = 0.5000 0.2887 0.2223 ( 4988 PWs) bands (ev): -17.9572 -17.9572 -17.9558 -17.9558 -4.8438 -4.8438 -4.8418 -4.8418 -3.1085 -3.1085 -3.1002 -3.1002 -2.6904 -2.6904 -2.6774 -2.6774 0.0971 0.0971 0.1591 0.1591 5.0117 5.0117 5.1025 5.1025 6.2700 6.2700 6.3050 6.3050 6.3753 6.3753 6.3874 6.3874 6.6507 6.6507 6.6669 6.6669 6.8152 6.8152 6.8291 6.8291 6.8907 6.8907 6.9061 6.9061 7.9398 7.9398 8.0077 8.0077 8.3454 8.3454 8.4182 8.4182 10.0331 10.0331 10.0725 10.0725 11.8681 11.8681 11.8793 11.8793 14.4179 14.4179 k = 0.5000 0.2887 0.2092 ( 4990 PWs) bands (ev): -17.9578 -17.9578 -17.9552 -17.9552 -4.8448 -4.8448 -4.8410 -4.8410 -3.1128 -3.1128 -3.0962 -3.0962 -2.6963 -2.6963 -2.6703 -2.6703 0.0663 0.0663 0.1899 0.1899 4.9672 4.9672 5.1481 5.1481 6.2501 6.2501 6.3186 6.3186 6.3715 6.3715 6.3961 6.3961 6.6428 6.6428 6.6752 6.6752 6.8085 6.8085 6.8360 6.8360 6.8836 6.8836 6.9140 6.9140 7.9067 7.9067 8.0419 8.0419 8.3110 8.3110 8.4559 8.4559 10.0044 10.0044 10.0829 10.0829 11.8784 11.8784 11.9007 11.9007 14.3364 14.3364 k = 0.5000 0.2887 0.1961 ( 4982 PWs) bands (ev): -17.9585 -17.9585 -17.9545 -17.9545 -4.8459 -4.8459 -4.8402 -4.8402 -3.1170 -3.1170 -3.0923 -3.0923 -2.7017 -2.7017 -2.6630 -2.6630 0.0361 0.0361 0.2203 0.2203 4.9238 4.9238 5.1935 5.1935 6.2293 6.2293 6.3286 6.3286 6.3693 6.3693 6.4068 6.4068 6.6351 6.6351 6.6834 6.6834 6.8021 6.8021 6.8421 6.8421 6.8779 6.8779 6.9219 6.9219 7.8744 7.8744 8.0760 8.0760 8.2781 8.2781 8.4942 8.4942 9.9704 9.9704 10.0874 10.0874 11.8989 11.8989 11.9318 11.9318 14.2491 14.2491 k = 0.5000 0.2887 0.1830 ( 4982 PWs) bands (ev): -17.9591 -17.9591 -17.9539 -17.9539 -4.8470 -4.8470 -4.8395 -4.8395 -3.1212 -3.1212 -3.0887 -3.0887 -2.7066 -2.7066 -2.6555 -2.6555 0.0066 0.0066 0.2501 0.2501 4.8817 4.8817 5.2382 5.2382 6.2081 6.2081 6.3346 6.3346 6.3690 6.3690 6.4194 6.4194 6.6276 6.6276 6.6917 6.6917 6.7961 6.7961 6.8457 6.8457 6.8752 6.8752 6.9298 6.9298 7.8431 7.8431 8.1093 8.1093 8.2473 8.2473 8.5327 8.5327 9.9318 9.9318 10.0867 10.0867 11.9289 11.9289 11.9720 11.9720 14.1643 14.1643 k = 0.5000 0.2887 0.1700 ( 4982 PWs) bands (ev): -17.9598 -17.9598 -17.9533 -17.9533 -4.8482 -4.8482 -4.8388 -4.8388 -3.1252 -3.1252 -3.0852 -3.0852 -2.7109 -2.7109 -2.6479 -2.6479 -0.0221 -0.0221 0.2790 0.2790 4.8412 4.8412 5.2819 5.2819 6.1867 6.1867 6.3371 6.3371 6.3704 6.3704 6.4333 6.4333 6.6203 6.6203 6.6999 6.6999 6.7904 6.7904 6.8448 6.8448 6.8773 6.8773 6.9374 6.9374 7.8131 7.8131 8.1409 8.1409 8.2195 8.2195 8.5711 8.5711 9.8896 9.8896 10.0815 10.0815 11.9675 11.9675 12.0201 12.0201 14.0831 14.0831 k = 0.5000 0.2887 0.1569 ( 4982 PWs) bands (ev): -17.9603 -17.9603 -17.9527 -17.9527 -4.8493 -4.8493 -4.8383 -4.8383 -3.1292 -3.1292 -3.0820 -3.0820 -2.7148 -2.7148 -2.6403 -2.6403 -0.0496 -0.0496 0.3069 0.3069 4.8026 4.8026 5.3243 5.3243 6.1654 6.1654 6.3370 6.3370 6.3730 6.3730 6.4478 6.4478 6.6134 6.6134 6.7079 6.7079 6.7850 6.7850 6.8405 6.8405 6.8835 6.8835 6.9449 6.9449 7.7844 7.7844 8.1640 8.1640 8.2013 8.2013 8.6090 8.6090 9.8448 9.8448 10.0727 10.0727 12.0138 12.0138 12.0753 12.0753 14.0060 14.0060 k = 0.5000 0.2887 0.1438 ( 4992 PWs) bands (ev): -17.9609 -17.9609 -17.9521 -17.9521 -4.8505 -4.8505 -4.8378 -4.8378 -3.1329 -3.1329 -3.0791 -3.0791 -2.7181 -2.7181 -2.6328 -2.6328 -0.0758 -0.0758 0.3334 0.3334 4.7662 4.7662 5.3649 5.3649 6.1446 6.1446 6.3356 6.3356 6.3759 6.3759 6.4625 6.4625 6.6067 6.6067 6.7156 6.7156 6.7800 6.7800 6.8346 6.8346 6.8915 6.8915 6.9521 6.9521 7.7573 7.7573 8.1552 8.1552 8.2157 8.2157 8.6461 8.6461 9.7986 9.7986 10.0611 10.0611 12.0665 12.0665 12.1364 12.1364 13.9332 13.9332 k = 0.5000 0.2887 0.1307 ( 4980 PWs) bands (ev): -17.9614 -17.9614 -17.9516 -17.9516 -4.8516 -4.8516 -4.8374 -4.8374 -3.1365 -3.1365 -3.0764 -3.0764 -2.7209 -2.7209 -2.6255 -2.6255 -0.1004 -0.1004 0.3584 0.3584 4.7320 4.7320 5.4034 5.4034 6.1244 6.1244 6.3337 6.3337 6.3789 6.3789 6.4769 6.4769 6.6005 6.6005 6.7232 6.7232 6.7754 6.7754 6.8283 6.8283 6.9004 6.9004 6.9592 6.9592 7.7320 7.7320 8.1343 8.1343 8.2430 8.2430 8.6819 8.6819 9.7519 9.7519 10.0476 10.0476 12.1244 12.1244 12.2025 12.2025 13.8652 13.8652 k = 0.5000 0.2887 0.1177 ( 4980 PWs) bands (ev): -17.9619 -17.9619 -17.9511 -17.9511 -4.8526 -4.8526 -4.8370 -4.8370 -3.1398 -3.1398 -3.0741 -3.0741 -2.7232 -2.7232 -2.6186 -2.6186 -0.1234 -0.1234 0.3817 0.3817 4.7005 4.7005 5.4396 5.4396 6.1051 6.1051 6.3315 6.3315 6.3817 6.3817 6.4906 6.4906 6.5946 6.5946 6.7304 6.7304 6.7712 6.7712 6.8219 6.8219 6.9095 6.9095 6.9659 6.9659 7.7085 7.7085 8.1136 8.1136 8.2705 8.2705 8.7161 8.7161 9.7058 9.7058 10.0331 10.0331 12.1861 12.1861 12.2724 12.2724 13.8023 13.8023 k = 0.5000 0.2887 0.1046 ( 4990 PWs) bands (ev): -17.9624 -17.9624 -17.9506 -17.9506 -4.8536 -4.8536 -4.8367 -4.8367 -3.1428 -3.1428 -3.0720 -3.0720 -2.7252 -2.7252 -2.6120 -2.6120 -0.1444 -0.1444 0.4032 0.4032 4.6717 4.6717 5.4729 5.4729 6.0869 6.0869 6.3293 6.3293 6.3842 6.3842 6.5035 6.5035 6.5892 6.5892 6.7371 6.7371 6.7674 6.7674 6.8158 6.8158 6.9184 6.9184 6.9724 6.9724 7.6870 7.6870 8.0946 8.0946 8.2965 8.2965 8.7482 8.7482 9.6614 9.6614 10.0182 10.0182 12.2501 12.2501 12.3456 12.3456 13.7448 13.7448 k = 0.5000 0.2887 0.0915 ( 4976 PWs) bands (ev): -17.9628 -17.9628 -17.9502 -17.9502 -4.8546 -4.8546 -4.8365 -4.8365 -3.1456 -3.1456 -3.0702 -3.0702 -2.7267 -2.7267 -2.6059 -2.6059 -0.1635 -0.1635 0.4226 0.4226 4.6459 4.6459 5.5033 5.5033 6.0702 6.0702 6.3272 6.3272 6.3865 6.3865 6.5155 6.5155 6.5844 6.5844 6.7434 6.7434 6.7641 6.7641 6.8099 6.8099 6.9269 6.9269 6.9787 6.9787 7.6677 7.6677 8.0776 8.0776 8.3204 8.3204 8.7778 8.7778 9.6195 9.6195 10.0035 10.0035 12.3144 12.3144 12.4215 12.4215 13.6922 13.6922 k = 0.5000 0.2887 0.0784 ( 4976 PWs) bands (ev): -17.9631 -17.9631 -17.9499 -17.9499 -4.8554 -4.8554 -4.8363 -4.8363 -3.1480 -3.1480 -3.0686 -3.0686 -2.7279 -2.7279 -2.6004 -2.6004 -0.1803 -0.1803 0.4397 0.4397 4.6232 4.6232 5.5303 5.5303 6.0550 6.0550 6.3253 6.3253 6.3885 6.3885 6.5262 6.5262 6.5801 6.5801 6.7489 6.7489 6.7613 6.7613 6.8044 6.8044 6.9346 6.9346 6.9847 6.9847 7.6507 7.6507 8.0628 8.0628 8.3418 8.3418 8.8045 8.8045 9.5812 9.5812 9.9897 9.9897 12.3770 12.3770 12.4999 12.4999 13.6202 13.6202 k = 0.5000 0.2887 0.0654 ( 4980 PWs) bands (ev): -17.9635 -17.9635 -17.9495 -17.9495 -4.8561 -4.8561 -4.8362 -4.8362 -3.1500 -3.1500 -3.0673 -3.0673 -2.7288 -2.7288 -2.5956 -2.5956 -0.1947 -0.1947 0.4545 0.4545 4.6037 4.6037 5.5536 5.5536 6.0417 6.0417 6.3236 6.3236 6.3902 6.3902 6.5357 6.5357 6.5763 6.5763 6.7532 6.7532 6.7597 6.7597 6.7993 6.7993 6.9414 6.9414 6.9902 6.9902 7.6360 7.6360 8.0501 8.0501 8.3605 8.3605 8.8279 8.8279 9.5471 9.5471 9.9772 9.9772 12.4353 12.4353 12.5807 12.5807 13.5262 13.5262 k = 0.5000 0.2887 0.0523 ( 4974 PWs) bands (ev): -17.9637 -17.9637 -17.9493 -17.9493 -4.8567 -4.8567 -4.8360 -4.8360 -3.1518 -3.1518 -3.0663 -3.0663 -2.7295 -2.7295 -2.5916 -2.5916 -0.2067 -0.2067 0.4667 0.4667 4.5876 4.5876 5.5732 5.5732 6.0304 6.0304 6.3222 6.3222 6.3916 6.3916 6.5436 6.5436 6.5732 6.5732 6.7542 6.7542 6.7613 6.7613 6.7948 6.7948 6.9471 6.9471 6.9952 6.9952 7.6239 7.6239 8.0397 8.0397 8.3761 8.3761 8.8477 8.8477 9.5181 9.5181 9.9664 9.9664 12.4871 12.4871 12.6637 12.6637 13.4311 13.4311 k = 0.5000 0.2887 0.0392 ( 4982 PWs) bands (ev): -17.9639 -17.9639 -17.9491 -17.9491 -4.8572 -4.8572 -4.8360 -4.8360 -3.1531 -3.1531 -3.0655 -3.0655 -2.7300 -2.7300 -2.5884 -2.5884 -0.2162 -0.2162 0.4764 0.4764 4.5750 4.5750 5.5886 5.5886 6.0214 6.0214 6.3210 6.3210 6.3927 6.3927 6.5500 6.5500 6.5706 6.5706 6.7532 6.7532 6.7646 6.7646 6.7907 6.7907 6.9515 6.9515 6.9994 6.9994 7.6143 7.6143 8.0316 8.0316 8.3885 8.3885 8.8635 8.8635 9.4948 9.4948 9.9576 9.9576 12.5300 12.5300 12.7484 12.7484 13.3366 13.3366 k = 0.5000 0.2887 0.0261 ( 4998 PWs) bands (ev): -17.9641 -17.9641 -17.9489 -17.9489 -4.8576 -4.8576 -4.8359 -4.8359 -3.1541 -3.1541 -3.0650 -3.0650 -2.7303 -2.7303 -2.5861 -2.5861 -0.2230 -0.2230 0.4833 0.4833 4.5660 4.5660 5.5998 5.5998 6.0147 6.0147 6.3202 6.3202 6.3934 6.3934 6.5548 6.5548 6.5686 6.5686 6.7521 6.7521 6.7678 6.7678 6.7873 6.7873 6.9546 6.9546 7.0026 7.0026 7.6074 7.6074 8.0257 8.0257 8.3975 8.3975 8.8749 8.8749 9.4778 9.4778 9.9512 9.9512 12.5621 12.5621 12.8331 12.8331 13.2446 13.2446 k = 0.5000 0.2887 0.0131 ( 4998 PWs) bands (ev): -17.9641 -17.9641 -17.9489 -17.9489 -4.8578 -4.8578 -4.8359 -4.8359 -3.1547 -3.1547 -3.0646 -3.0646 -2.7305 -2.7305 -2.5847 -2.5847 -0.2271 -0.2271 0.4875 0.4875 4.5605 4.5605 5.6066 5.6066 6.0107 6.0107 6.3197 6.3197 6.3939 6.3939 6.5579 6.5579 6.5673 6.5673 6.7514 6.7514 6.7703 6.7703 6.7848 6.7848 6.9565 6.9565 7.0047 7.0047 7.6033 7.6033 8.0222 8.0222 8.4029 8.4029 8.8819 8.8819 9.4674 9.4674 9.9472 9.9472 12.5821 12.5821 12.9121 12.9121 13.1613 13.1613 k = 0.5000 0.2887-0.0000 ( 4990 PWs) bands (ev): -17.9642 -17.9642 -17.9488 -17.9488 -4.8579 -4.8579 -4.8359 -4.8359 -3.1549 -3.1549 -3.0645 -3.0645 -2.7306 -2.7306 -2.5842 -2.5842 -0.2284 -0.2284 0.4889 0.4889 4.5587 4.5587 5.6088 5.6088 6.0093 6.0093 6.3195 6.3195 6.3941 6.3941 6.5589 6.5589 6.5668 6.5668 6.7512 6.7512 6.7713 6.7713 6.7838 6.7838 6.9571 6.9571 7.0054 7.0054 7.6019 7.6019 8.0211 8.0211 8.4048 8.4048 8.8843 8.8843 9.4639 9.4639 9.9459 9.9459 12.5888 12.5888 12.9551 12.9551 13.1168 13.1168 k = 0.3333 0.5774-0.0000 ( 4938 PWs) bands (ev): -17.9562 -17.9562 -17.9414 -17.9414 -4.8495 -4.8495 -4.8431 -4.8431 -3.1711 -3.1711 -2.9613 -2.9613 -2.9115 -2.9115 -2.7087 -2.7087 0.1486 0.1486 0.2333 0.2333 5.0814 5.0814 5.1364 5.1364 6.1134 6.1134 6.2633 6.2633 6.2848 6.2848 6.5377 6.5377 6.5959 6.5959 6.7032 6.7032 6.7469 6.7469 6.7918 6.7918 6.8670 6.8670 7.0602 7.0602 7.2319 7.2319 7.5197 7.5197 8.4688 8.4688 8.4821 8.4821 10.6203 10.6203 10.7216 10.7216 12.0973 12.0973 12.1238 12.1238 13.4943 13.4943 k = 0.3333 0.5774 0.0131 ( 4944 PWs) bands (ev): -17.9562 -17.9562 -17.9414 -17.9414 -4.8496 -4.8496 -4.8430 -4.8430 -3.1708 -3.1708 -2.9616 -2.9616 -2.9112 -2.9112 -2.7092 -2.7092 0.1486 0.1486 0.2334 0.2334 5.0809 5.0809 5.1357 5.1357 6.1153 6.1153 6.2638 6.2638 6.2852 6.2852 6.5378 6.5378 6.5959 6.5959 6.7032 6.7032 6.7469 6.7469 6.7919 6.7919 6.8670 6.8670 7.0601 7.0601 7.2317 7.2317 7.5172 7.5172 8.4688 8.4688 8.4822 8.4822 10.6186 10.6186 10.7200 10.7200 12.1017 12.1017 12.1282 12.1282 13.4961 13.4961 k = 0.3333 0.5774 0.0261 ( 4953 PWs) bands (ev): -17.9561 -17.9561 -17.9415 -17.9415 -4.8499 -4.8499 -4.8425 -4.8425 -3.1699 -3.1699 -2.9627 -2.9627 -2.9103 -2.9103 -2.7105 -2.7105 0.1488 0.1488 0.2339 0.2339 5.0796 5.0796 5.1337 5.1337 6.1211 6.1211 6.2656 6.2656 6.2863 6.2863 6.5379 6.5379 6.5958 6.5958 6.7035 6.7035 6.7471 6.7471 6.7922 6.7922 6.8670 6.8670 7.0596 7.0596 7.2312 7.2312 7.5100 7.5100 8.4689 8.4689 8.4823 8.4823 10.6135 10.6135 10.7152 10.7152 12.1146 12.1146 12.1415 12.1415 13.5015 13.5015 k = 0.3333 0.5774 0.0392 ( 4953 PWs) bands (ev): -17.9560 -17.9560 -17.9416 -17.9416 -4.8504 -4.8504 -4.8419 -4.8419 -3.1685 -3.1685 -2.9643 -2.9643 -2.9087 -2.9087 -2.7127 -2.7127 0.1492 0.1492 0.2346 0.2346 5.0776 5.0776 5.1305 5.1305 6.1306 6.1306 6.2684 6.2684 6.2882 6.2882 6.5381 6.5381 6.5956 6.5956 6.7039 6.7039 6.7475 6.7475 6.7929 6.7929 6.8671 6.8671 7.0590 7.0590 7.2303 7.2303 7.4980 7.4980 8.4692 8.4692 8.4827 8.4827 10.6053 10.6053 10.7075 10.7075 12.1359 12.1359 12.1634 12.1634 13.5105 13.5105 k = 0.3333 0.5774 0.0523 ( 4953 PWs) bands (ev): -17.9558 -17.9558 -17.9418 -17.9418 -4.8509 -4.8509 -4.8411 -4.8411 -3.1666 -3.1666 -2.9666 -2.9666 -2.9066 -2.9066 -2.7158 -2.7158 0.1496 0.1496 0.2356 0.2356 5.0748 5.0748 5.1261 5.1261 6.1437 6.1437 6.2722 6.2722 6.2907 6.2907 6.5383 6.5383 6.5953 6.5953 6.7045 6.7045 6.7481 6.7481 6.7938 6.7938 6.8673 6.8673 7.0580 7.0580 7.2291 7.2291 7.4814 7.4814 8.4696 8.4696 8.4831 8.4831 10.5944 10.5944 10.6973 10.6973 12.1652 12.1652 12.1934 12.1934 13.5230 13.5230 k = 0.3333 0.5774 0.0654 ( 4959 PWs) bands (ev): -17.9555 -17.9555 -17.9421 -17.9421 -4.8514 -4.8514 -4.8402 -4.8402 -3.1641 -3.1641 -2.9695 -2.9695 -2.9039 -2.9039 -2.7196 -2.7196 0.1501 0.1501 0.2369 0.2369 5.0713 5.0713 5.1208 5.1208 6.1602 6.1602 6.2768 6.2768 6.2939 6.2939 6.5386 6.5386 6.5950 6.5950 6.7054 6.7054 6.7489 6.7489 6.7949 6.7949 6.8675 6.8675 7.0568 7.0568 7.2277 7.2277 7.4605 7.4605 8.4700 8.4700 8.4836 8.4836 10.5812 10.5812 10.6851 10.6851 12.2020 12.2020 12.2310 12.2310 13.5391 13.5391 k = 0.3333 0.5774 0.0784 ( 4962 PWs) bands (ev): -17.9553 -17.9553 -17.9424 -17.9424 -4.8519 -4.8519 -4.8393 -4.8393 -3.1612 -3.1612 -2.9730 -2.9730 -2.9005 -2.9005 -2.7242 -2.7242 0.1508 0.1508 0.2383 0.2383 5.0673 5.0673 5.1147 5.1147 6.1799 6.1799 6.2821 6.2821 6.2975 6.2975 6.5390 6.5390 6.5944 6.5944 6.7065 6.7065 6.7498 6.7498 6.7963 6.7963 6.8679 6.8679 7.0553 7.0553 7.2260 7.2260 7.4356 7.4356 8.4705 8.4705 8.4842 8.4842 10.5664 10.5664 10.6714 10.6714 12.2456 12.2456 12.2757 12.2757 13.5588 13.5588 k = 0.3333 0.5774 0.0915 ( 4968 PWs) bands (ev): -17.9549 -17.9549 -17.9427 -17.9427 -4.8524 -4.8524 -4.8383 -4.8383 -3.1578 -3.1578 -2.9770 -2.9770 -2.8967 -2.8967 -2.7296 -2.7296 0.1515 0.1515 0.2399 0.2399 5.0630 5.0630 5.1080 5.1080 6.2024 6.2024 6.2879 6.2879 6.3016 6.3016 6.5394 6.5394 6.5937 6.5937 6.7079 6.7079 6.7511 6.7511 6.7978 6.7978 6.8684 6.8684 7.0536 7.0536 7.2240 7.2240 7.4069 7.4069 8.4711 8.4711 8.4849 8.4849 10.5506 10.5506 10.6566 10.6566 12.2956 12.2956 12.3269 12.3269 13.5821 13.5821 k = 0.3333 0.5774 0.1046 ( 4968 PWs) bands (ev): -17.9545 -17.9545 -17.9431 -17.9431 -4.8529 -4.8529 -4.8374 -4.8374 -3.1540 -3.1540 -2.9813 -2.9813 -2.8922 -2.8922 -2.7355 -2.7355 0.1522 0.1522 0.2415 0.2415 5.0584 5.0584 5.1009 5.1009 6.2271 6.2271 6.2940 6.2940 6.3063 6.3063 6.5398 6.5398 6.5928 6.5928 6.7096 6.7096 6.7527 6.7527 6.7994 6.7994 6.8691 6.8691 7.0517 7.0517 7.2220 7.2220 7.3751 7.3751 8.4718 8.4718 8.4856 8.4856 10.5342 10.5342 10.6415 10.6415 12.3512 12.3512 12.3839 12.3839 13.6089 13.6089 k = 0.3333 0.5774 0.1177 ( 4962 PWs) bands (ev): -17.9541 -17.9541 -17.9436 -17.9436 -4.8533 -4.8533 -4.8365 -4.8365 -3.1499 -3.1499 -2.9861 -2.9861 -2.8872 -2.8872 -2.7421 -2.7421 0.1530 0.1530 0.2433 0.2433 5.0537 5.0537 5.0936 5.0936 6.2532 6.2532 6.3002 6.3002 6.3118 6.3118 6.5402 6.5402 6.5916 6.5916 6.7116 6.7116 6.7548 6.7548 6.8012 6.8012 6.8701 6.8701 7.0494 7.0494 7.2198 7.2198 7.3405 7.3405 8.4725 8.4725 8.4864 8.4864 10.5178 10.5178 10.6263 10.6263 12.4120 12.4120 12.4460 12.4460 13.6393 13.6393 k = 0.3333 0.5774 0.1307 ( 4959 PWs) bands (ev): -17.9536 -17.9536 -17.9440 -17.9440 -4.8536 -4.8536 -4.8356 -4.8356 -3.1456 -3.1456 -2.9911 -2.9911 -2.8818 -2.8818 -2.7491 -2.7491 0.1537 0.1537 0.2450 0.2450 5.0490 5.0490 5.0865 5.0865 6.2789 6.2789 6.3063 6.3063 6.3193 6.3193 6.5406 6.5406 6.5901 6.5901 6.7139 6.7139 6.7575 6.7575 6.8031 6.8031 6.8714 6.8714 7.0468 7.0468 7.2176 7.2176 7.3038 7.3038 8.4732 8.4732 8.4871 8.4871 10.5020 10.5020 10.6117 10.6117 12.4771 12.4771 12.5126 12.5126 13.6731 13.6731 k = 0.3333 0.5774 0.1438 ( 4956 PWs) bands (ev): -17.9531 -17.9531 -17.9446 -17.9446 -4.8539 -4.8539 -4.8349 -4.8349 -3.1411 -3.1411 -2.9962 -2.9962 -2.8758 -2.8758 -2.7566 -2.7566 0.1545 0.1545 0.2467 0.2467 5.0445 5.0445 5.0796 5.0796 6.2994 6.2994 6.3122 6.3122 6.3326 6.3326 6.5409 6.5409 6.5882 6.5882 6.7164 6.7164 6.7611 6.7611 6.8049 6.8049 6.8733 6.8733 7.0437 7.0437 7.2154 7.2154 7.2658 7.2658 8.4739 8.4739 8.4879 8.4879 10.4870 10.4870 10.5979 10.5979 12.5459 12.5459 12.5831 12.5831 13.7103 13.7103 k = 0.3333 0.5774 0.1569 ( 4959 PWs) bands (ev): -17.9525 -17.9525 -17.9451 -17.9451 -4.8542 -4.8542 -4.8341 -4.8341 -3.1366 -3.1366 -3.0013 -3.0013 -2.8695 -2.8695 -2.7644 -2.7644 0.1552 0.1552 0.2483 0.2483 5.0403 5.0403 5.0732 5.0732 6.3106 6.3106 6.3176 6.3176 6.3551 6.3551 6.5410 6.5410 6.5858 6.5858 6.7190 6.7190 6.7656 6.7656 6.8067 6.8067 6.8761 6.8761 7.0397 7.0397 7.2133 7.2133 7.2276 7.2276 8.4746 8.4746 8.4885 8.4885 10.4733 10.4733 10.5853 10.5853 12.6176 12.6176 12.6565 12.6565 13.7505 13.7505 k = 0.3333 0.5774 0.1700 ( 4971 PWs) bands (ev): -17.9520 -17.9520 -17.9457 -17.9457 -4.8544 -4.8544 -4.8335 -4.8335 -3.1322 -3.1322 -3.0062 -3.0062 -2.8629 -2.8629 -2.7723 -2.7723 0.1558 0.1558 0.2497 0.2497 5.0365 5.0365 5.0675 5.0675 6.3165 6.3165 6.3224 6.3224 6.3816 6.3816 6.5410 6.5410 6.5828 6.5828 6.7215 6.7215 6.7712 6.7712 6.8083 6.8083 6.8800 6.8800 7.0343 7.0343 7.1905 7.1905 7.2114 7.2114 8.4752 8.4752 8.4891 8.4891 10.4612 10.4612 10.5742 10.5742 12.6909 12.6909 12.7318 12.7318 13.7896 13.7896 k = 0.3333 0.5774 0.1830 ( 4965 PWs) bands (ev): -17.9514 -17.9514 -17.9463 -17.9463 -4.8546 -4.8546 -4.8330 -4.8330 -3.1281 -3.1281 -3.0107 -3.0107 -2.8560 -2.8560 -2.7803 -2.7803 0.1564 0.1564 0.2509 0.2509 5.0333 5.0333 5.0626 5.0626 6.3205 6.3205 6.3265 6.3265 6.4078 6.4078 6.5407 6.5407 6.5795 6.5795 6.7236 6.7236 6.7778 6.7778 6.8098 6.8098 6.8859 6.8859 7.0264 7.0264 7.1566 7.1566 7.2097 7.2097 8.4758 8.4758 8.4897 8.4897 10.4510 10.4510 10.5648 10.5648 12.7641 12.7641 12.8075 12.8075 13.7443 13.7443 k = 0.3333 0.5774 0.1961 ( 4965 PWs) bands (ev): -17.9507 -17.9507 -17.9469 -17.9469 -4.8547 -4.8547 -4.8326 -4.8326 -3.1245 -3.1245 -3.0146 -3.0146 -2.8492 -2.8492 -2.7880 -2.7880 0.1568 0.1568 0.2519 0.2519 5.0306 5.0306 5.0586 5.0586 6.3233 6.3233 6.3298 6.3298 6.4314 6.4314 6.5401 6.5401 6.5758 6.5758 6.7254 6.7254 6.7846 6.7846 6.8109 6.8109 6.8944 6.8944 7.0143 7.0143 7.1286 7.1286 7.2084 7.2084 8.4762 8.4762 8.4901 8.4901 10.4428 10.4428 10.5573 10.5573 12.8344 12.8344 12.8807 12.8807 13.6542 13.6542 k = 0.3333 0.5774 0.2092 ( 4953 PWs) bands (ev): -17.9501 -17.9501 -17.9475 -17.9475 -4.8548 -4.8548 -4.8323 -4.8323 -3.1217 -3.1217 -3.0177 -3.0177 -2.8427 -2.8427 -2.7951 -2.7951 0.1571 0.1571 0.2527 0.2527 5.0287 5.0287 5.0557 5.0557 6.3253 6.3253 6.3323 6.3323 6.4508 6.4508 6.5389 6.5389 6.5724 6.5724 6.7267 6.7267 6.7908 6.7908 6.8118 6.8118 6.9065 6.9065 6.9973 6.9973 7.1092 7.1092 7.2074 7.2074 8.4766 8.4766 8.4904 8.4904 10.4369 10.4369 10.5518 10.5518 12.8966 12.8966 12.9465 12.9465 13.5779 13.5779 k = 0.3333 0.5774 0.2223 ( 4929 PWs) bands (ev): -17.9495 -17.9495 -17.9482 -17.9482 -4.8549 -4.8549 -4.8321 -4.8321 -3.1199 -3.1199 -3.0197 -3.0197 -2.8376 -2.8376 -2.8007 -2.8007 0.1573 0.1573 0.2531 0.2531 5.0276 5.0276 5.0539 5.0539 6.3265 6.3265 6.3338 6.3338 6.4640 6.4640 6.5376 6.5376 6.5700 6.5700 6.7275 6.7275 6.7951 6.7951 6.8124 6.8124 6.9214 6.9214 6.9775 6.9775 7.0985 7.0985 7.2068 7.2068 8.4768 8.4768 8.4907 8.4907 10.4333 10.4333 10.5485 10.5485 12.9420 12.9420 12.9957 12.9957 13.5214 13.5214 k = 0.3333 0.5774 0.2353 ( 4926 PWs) bands (ev): -17.9488 -17.9488 -17.9488 -17.9488 -4.8549 -4.8549 -4.8320 -4.8320 -3.1193 -3.1193 -3.0203 -3.0203 -2.8355 -2.8355 -2.8029 -2.8029 0.1574 0.1574 0.2533 0.2533 5.0272 5.0272 5.0533 5.0533 6.3269 6.3269 6.3343 6.3343 6.4688 6.4688 6.5369 6.5369 6.5690 6.5690 6.7278 6.7278 6.7967 6.7967 6.8127 6.8127 6.9313 6.9313 6.9654 6.9654 7.0952 7.0952 7.2065 7.2065 8.4769 8.4769 8.4907 8.4907 10.4321 10.4321 10.5474 10.5474 12.9592 12.9592 13.0147 13.0147 13.4999 13.4999 Writing output data file BaCuP.save init_run : 0.33s CPU 0.45s WALL ( 1 calls) electrons : 206.12s CPU 208.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 206.12s CPU 208.64s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.12s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.11s WALL ( 299 calls) cegterg : 189.34s CPU 191.38s WALL ( 368 calls) Called by sum_band: Called by *egterg: h_psi : 99.38s CPU 100.58s WALL ( 6451 calls) s_psi : 9.54s CPU 9.67s WALL ( 6451 calls) g_psi : 0.32s CPU 0.31s WALL ( 5784 calls) cdiaghg : 69.75s CPU 70.19s WALL ( 6083 calls) cegterg:over : 9.01s CPU 8.92s WALL ( 5784 calls) cegterg:upda : 7.54s CPU 8.00s WALL ( 5784 calls) cegterg:last : 3.44s CPU 3.51s WALL ( 978 calls) cdiaghg:chol : 4.07s CPU 4.05s WALL ( 6083 calls) cdiaghg:inve : 2.72s CPU 2.96s WALL ( 6083 calls) cdiaghg:para : 4.85s CPU 4.97s WALL ( 12166 calls) Called by h_psi: h_psi:vloc : 79.63s CPU 81.05s WALL ( 6451 calls) h_psi:vnl : 19.41s CPU 19.21s WALL ( 6451 calls) add_vuspsi : 10.74s CPU 10.63s WALL ( 6451 calls) General routines calbec : 8.64s CPU 8.56s WALL ( 6451 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 74.95s CPU 76.25s WALL ( 837344 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.26s WALL ( 598 calls) Parallel routines fft_scatter : 24.28s CPU 25.05s WALL ( 837367 calls) PWSCF : 3m45.22s CPU 3m58.96s WALL This run was terminated on: 13:52:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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