Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:50: 9 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: ./BaF2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 39 24 7 1546 764 121 Max 41 25 8 1551 781 128 Sum 1417 889 253 55703 27875 4429 bravais-lattice index = 14 lattice parameter (alat) = 8.0393 a.u. unit-cell volume = 583.4306 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.039291 celldm(2)= 1.000000 celldm(3)= 1.296598 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.296598 ) 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 0.771249 ) 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) F 7.00 18.99840 F( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6482990 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6482990 ) 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0132974), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0265948), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0398922), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0531896), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0664870), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.0797844), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.0930818), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1063792), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1196766), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1329740), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1462714), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.1595688), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.1728662), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.1861636), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.1994610), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2127584), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2260558), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.2393532), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.2526506), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.2659480), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.2792454), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.2925428), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3058401), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.3191375), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.3324349), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.3457323), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.3590297), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.3723271), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.3856245), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.3856245), wk = 0.0030120 k( 153) = ( 0.0116279 0.0067134 0.3856245), wk = 0.0030120 k( 154) = ( 0.0232558 0.0134267 0.3856245), wk = 0.0030120 k( 155) = ( 0.0348837 0.0201401 0.3856245), wk = 0.0030120 k( 156) = ( 0.0465116 0.0268535 0.3856245), wk = 0.0030120 k( 157) = ( 0.0581395 0.0335669 0.3856245), wk = 0.0030120 k( 158) = ( 0.0697674 0.0402803 0.3856245), wk = 0.0030120 k( 159) = ( 0.0813954 0.0469936 0.3856245), wk = 0.0030120 k( 160) = ( 0.0930233 0.0537070 0.3856245), wk = 0.0030120 k( 161) = ( 0.1046512 0.0604204 0.3856245), wk = 0.0030120 k( 162) = ( 0.1162791 0.0671338 0.3856245), wk = 0.0030120 k( 163) = ( 0.1279070 0.0738471 0.3856245), wk = 0.0030120 k( 164) = ( 0.1395349 0.0805605 0.3856245), wk = 0.0030120 k( 165) = ( 0.1511628 0.0872739 0.3856245), wk = 0.0030120 k( 166) = ( 0.1627907 0.0939873 0.3856245), wk = 0.0030120 k( 167) = ( 0.1744186 0.1007006 0.3856245), wk = 0.0030120 k( 168) = ( 0.1860465 0.1074140 0.3856245), wk = 0.0030120 k( 169) = ( 0.1976744 0.1141274 0.3856245), wk = 0.0030120 k( 170) = ( 0.2093023 0.1208408 0.3856245), wk = 0.0030120 k( 171) = ( 0.2209302 0.1275541 0.3856245), wk = 0.0030120 k( 172) = ( 0.2325581 0.1342675 0.3856245), wk = 0.0030120 k( 173) = ( 0.2441860 0.1409809 0.3856245), wk = 0.0030120 k( 174) = ( 0.2558140 0.1476943 0.3856245), wk = 0.0030120 k( 175) = ( 0.2674419 0.1544076 0.3856245), wk = 0.0030120 k( 176) = ( 0.2790698 0.1611210 0.3856245), wk = 0.0030120 k( 177) = ( 0.2906977 0.1678344 0.3856245), wk = 0.0030120 k( 178) = ( 0.3023256 0.1745478 0.3856245), wk = 0.0030120 k( 179) = ( 0.3139535 0.1812611 0.3856245), wk = 0.0030120 k( 180) = ( 0.3255814 0.1879745 0.3856245), wk = 0.0030120 k( 181) = ( 0.3372093 0.1946879 0.3856245), wk = 0.0030120 k( 182) = ( 0.3488372 0.2014013 0.3856245), wk = 0.0030120 k( 183) = ( 0.3604651 0.2081146 0.3856245), wk = 0.0030120 k( 184) = ( 0.3720930 0.2148280 0.3856245), wk = 0.0030120 k( 185) = ( 0.3837209 0.2215414 0.3856245), wk = 0.0030120 k( 186) = ( 0.3953488 0.2282548 0.3856245), wk = 0.0030120 k( 187) = ( 0.4069767 0.2349681 0.3856245), wk = 0.0030120 k( 188) = ( 0.4186047 0.2416815 0.3856245), wk = 0.0030120 k( 189) = ( 0.4302326 0.2483949 0.3856245), wk = 0.0030120 k( 190) = ( 0.4418605 0.2551083 0.3856245), wk = 0.0030120 k( 191) = ( 0.4534884 0.2618216 0.3856245), wk = 0.0030120 k( 192) = ( 0.4651163 0.2685350 0.3856245), wk = 0.0030120 k( 193) = ( 0.4767442 0.2752484 0.3856245), wk = 0.0030120 k( 194) = ( 0.4883721 0.2819618 0.3856245), wk = 0.0030120 k( 195) = ( 0.5000000 0.2886751 0.3856245), wk = 0.0030120 k( 196) = ( 0.5000000 0.2886751 0.3856245), wk = 0.0030120 k( 197) = ( 0.4933333 0.3002221 0.3856245), wk = 0.0030120 k( 198) = ( 0.4866667 0.3117692 0.3856245), wk = 0.0030120 k( 199) = ( 0.4800000 0.3233162 0.3856245), wk = 0.0030120 k( 200) = ( 0.4733333 0.3348632 0.3856245), wk = 0.0030120 k( 201) = ( 0.4666667 0.3464102 0.3856245), wk = 0.0030120 k( 202) = ( 0.4600000 0.3579572 0.3856245), wk = 0.0030120 k( 203) = ( 0.4533333 0.3695042 0.3856245), wk = 0.0030120 k( 204) = ( 0.4466667 0.3810512 0.3856245), wk = 0.0030120 k( 205) = ( 0.4400000 0.3925982 0.3856245), wk = 0.0030120 k( 206) = ( 0.4333333 0.4041452 0.3856245), wk = 0.0030120 k( 207) = ( 0.4266667 0.4156922 0.3856245), wk = 0.0030120 k( 208) = ( 0.4200000 0.4272392 0.3856245), wk = 0.0030120 k( 209) = ( 0.4133333 0.4387862 0.3856245), wk = 0.0030120 k( 210) = ( 0.4066667 0.4503332 0.3856245), wk = 0.0030120 k( 211) = ( 0.4000000 0.4618802 0.3856245), wk = 0.0030120 k( 212) = ( 0.3933333 0.4734272 0.3856245), wk = 0.0030120 k( 213) = ( 0.3866667 0.4849742 0.3856245), wk = 0.0030120 k( 214) = ( 0.3800000 0.4965212 0.3856245), wk = 0.0030120 k( 215) = ( 0.3733333 0.5080682 0.3856245), wk = 0.0030120 k( 216) = ( 0.3666667 0.5196152 0.3856245), wk = 0.0030120 k( 217) = ( 0.3600000 0.5311622 0.3856245), wk = 0.0030120 k( 218) = ( 0.3533333 0.5427092 0.3856245), wk = 0.0030120 k( 219) = ( 0.3466667 0.5542563 0.3856245), wk = 0.0030120 k( 220) = ( 0.3400000 0.5658033 0.3856245), wk = 0.0030120 k( 221) = ( 0.3333333 0.5773503 0.3856245), wk = 0.0030120 k( 222) = ( 0.3333333 0.5773503 0.3856245), wk = 0.0030120 k( 223) = ( 0.3266667 0.5658033 0.3856245), wk = 0.0030120 k( 224) = ( 0.3200000 0.5542563 0.3856245), wk = 0.0030120 k( 225) = ( 0.3133333 0.5427092 0.3856245), wk = 0.0030120 k( 226) = ( 0.3066667 0.5311623 0.3856245), wk = 0.0030120 k( 227) = ( 0.3000000 0.5196152 0.3856245), wk = 0.0030120 k( 228) = ( 0.2933333 0.5080682 0.3856245), wk = 0.0030120 k( 229) = ( 0.2866667 0.4965212 0.3856245), wk = 0.0030120 k( 230) = ( 0.2800000 0.4849742 0.3856245), wk = 0.0030120 k( 231) = ( 0.2733333 0.4734272 0.3856245), wk = 0.0030120 k( 232) = ( 0.2666667 0.4618802 0.3856245), wk = 0.0030120 k( 233) = ( 0.2600000 0.4503332 0.3856245), wk = 0.0030120 k( 234) = ( 0.2533333 0.4387862 0.3856245), wk = 0.0030120 k( 235) = ( 0.2466667 0.4272392 0.3856245), wk = 0.0030120 k( 236) = ( 0.2400000 0.4156922 0.3856245), wk = 0.0030120 k( 237) = ( 0.2333333 0.4041452 0.3856245), wk = 0.0030120 k( 238) = ( 0.2266667 0.3925982 0.3856245), wk = 0.0030120 k( 239) = ( 0.2200000 0.3810512 0.3856245), wk = 0.0030120 k( 240) = ( 0.2133333 0.3695042 0.3856245), wk = 0.0030120 k( 241) = ( 0.2066667 0.3579572 0.3856245), wk = 0.0030120 k( 242) = ( 0.2000000 0.3464102 0.3856245), wk = 0.0030120 k( 243) = ( 0.1933333 0.3348632 0.3856245), wk = 0.0030120 k( 244) = ( 0.1866667 0.3233162 0.3856245), wk = 0.0030120 k( 245) = ( 0.1800000 0.3117691 0.3856245), wk = 0.0030120 k( 246) = ( 0.1733333 0.3002221 0.3856245), wk = 0.0030120 k( 247) = ( 0.1666667 0.2886751 0.3856245), wk = 0.0030120 k( 248) = ( 0.1600000 0.2771281 0.3856245), wk = 0.0030120 k( 249) = ( 0.1533333 0.2655811 0.3856245), wk = 0.0030120 k( 250) = ( 0.1466667 0.2540341 0.3856245), wk = 0.0030120 k( 251) = ( 0.1400000 0.2424871 0.3856245), wk = 0.0030120 k( 252) = ( 0.1333333 0.2309401 0.3856245), wk = 0.0030120 k( 253) = ( 0.1266667 0.2193931 0.3856245), wk = 0.0030120 k( 254) = ( 0.1200000 0.2078461 0.3856245), wk = 0.0030120 k( 255) = ( 0.1133333 0.1962991 0.3856245), wk = 0.0030120 k( 256) = ( 0.1066667 0.1847521 0.3856245), wk = 0.0030120 k( 257) = ( 0.1000000 0.1732051 0.3856245), wk = 0.0030120 k( 258) = ( 0.0933333 0.1616581 0.3856245), wk = 0.0030120 k( 259) = ( 0.0866667 0.1501111 0.3856245), wk = 0.0030120 k( 260) = ( 0.0800000 0.1385641 0.3856245), wk = 0.0030120 k( 261) = ( 0.0733333 0.1270171 0.3856245), wk = 0.0030120 k( 262) = ( 0.0666667 0.1154701 0.3856245), wk = 0.0030120 k( 263) = ( 0.0600000 0.1039230 0.3856245), wk = 0.0030120 k( 264) = ( 0.0533333 0.0923760 0.3856245), wk = 0.0030120 k( 265) = ( 0.0466667 0.0808290 0.3856245), wk = 0.0030120 k( 266) = ( 0.0400000 0.0692820 0.3856245), wk = 0.0030120 k( 267) = ( 0.0333333 0.0577350 0.3856245), wk = 0.0030120 k( 268) = ( 0.0266667 0.0461880 0.3856245), wk = 0.0030120 k( 269) = ( 0.0200000 0.0346410 0.3856245), wk = 0.0030120 k( 270) = ( 0.0133333 0.0230940 0.3856245), wk = 0.0030120 k( 271) = ( 0.0066667 0.0115470 0.3856245), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.3856245), wk = 0.0030120 k( 273) = ( 0.5000000 0.2886751 0.3856245), wk = 0.0030120 k( 274) = ( 0.5000000 0.2886751 0.3723271), wk = 0.0030120 k( 275) = ( 0.5000000 0.2886751 0.3590297), wk = 0.0030120 k( 276) = ( 0.5000000 0.2886751 0.3457323), wk = 0.0030120 k( 277) = ( 0.5000000 0.2886751 0.3324349), wk = 0.0030120 k( 278) = ( 0.5000000 0.2886751 0.3191375), wk = 0.0030120 k( 279) = ( 0.5000000 0.2886751 0.3058401), wk = 0.0030120 k( 280) = ( 0.5000000 0.2886751 0.2925428), wk = 0.0030120 k( 281) = ( 0.5000000 0.2886751 0.2792454), wk = 0.0030120 k( 282) = ( 0.5000000 0.2886751 0.2659480), wk = 0.0030120 k( 283) = ( 0.5000000 0.2886751 0.2526506), wk = 0.0030120 k( 284) = ( 0.5000000 0.2886751 0.2393532), wk = 0.0030120 k( 285) = ( 0.5000000 0.2886751 0.2260558), wk = 0.0030120 k( 286) = ( 0.5000000 0.2886751 0.2127584), wk = 0.0030120 k( 287) = ( 0.5000000 0.2886751 0.1994610), wk = 0.0030120 k( 288) = ( 0.5000000 0.2886751 0.1861636), wk = 0.0030120 k( 289) = ( 0.5000000 0.2886751 0.1728662), wk = 0.0030120 k( 290) = ( 0.5000000 0.2886751 0.1595688), wk = 0.0030120 k( 291) = ( 0.5000000 0.2886751 0.1462714), wk = 0.0030120 k( 292) = ( 0.5000000 0.2886751 0.1329740), wk = 0.0030120 k( 293) = ( 0.5000000 0.2886751 0.1196766), wk = 0.0030120 k( 294) = ( 0.5000000 0.2886751 0.1063792), wk = 0.0030120 k( 295) = ( 0.5000000 0.2886751 0.0930818), wk = 0.0030120 k( 296) = ( 0.5000000 0.2886751 0.0797844), wk = 0.0030120 k( 297) = ( 0.5000000 0.2886751 0.0664870), wk = 0.0030120 k( 298) = ( 0.5000000 0.2886751 0.0531896), wk = 0.0030120 k( 299) = ( 0.5000000 0.2886751 0.0398922), wk = 0.0030120 k( 300) = ( 0.5000000 0.2886751 0.0265948), wk = 0.0030120 k( 301) = ( 0.5000000 0.2886751 0.0132974), wk = 0.0030120 k( 302) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.5773503 0.0132974), wk = 0.0030120 k( 305) = ( 0.3333333 0.5773503 0.0265948), wk = 0.0030120 k( 306) = ( 0.3333333 0.5773503 0.0398922), wk = 0.0030120 k( 307) = ( 0.3333333 0.5773503 0.0531896), wk = 0.0030120 k( 308) = ( 0.3333333 0.5773503 0.0664870), wk = 0.0030120 k( 309) = ( 0.3333333 0.5773503 0.0797844), wk = 0.0030120 k( 310) = ( 0.3333333 0.5773503 0.0930818), wk = 0.0030120 k( 311) = ( 0.3333333 0.5773503 0.1063792), wk = 0.0030120 k( 312) = ( 0.3333333 0.5773503 0.1196766), wk = 0.0030120 k( 313) = ( 0.3333333 0.5773503 0.1329740), wk = 0.0030120 k( 314) = ( 0.3333333 0.5773503 0.1462714), wk = 0.0030120 k( 315) = ( 0.3333333 0.5773503 0.1595688), wk = 0.0030120 k( 316) = ( 0.3333333 0.5773503 0.1728662), wk = 0.0030120 k( 317) = ( 0.3333333 0.5773503 0.1861636), wk = 0.0030120 k( 318) = ( 0.3333333 0.5773503 0.1994610), wk = 0.0030120 k( 319) = ( 0.3333333 0.5773503 0.2127584), wk = 0.0030120 k( 320) = ( 0.3333333 0.5773503 0.2260558), wk = 0.0030120 k( 321) = ( 0.3333333 0.5773503 0.2393532), wk = 0.0030120 k( 322) = ( 0.3333333 0.5773503 0.2526506), wk = 0.0030120 k( 323) = ( 0.3333333 0.5773503 0.2659480), wk = 0.0030120 k( 324) = ( 0.3333333 0.5773503 0.2792454), wk = 0.0030120 k( 325) = ( 0.3333333 0.5773503 0.2925428), wk = 0.0030120 k( 326) = ( 0.3333333 0.5773503 0.3058401), wk = 0.0030120 k( 327) = ( 0.3333333 0.5773503 0.3191375), wk = 0.0030120 k( 328) = ( 0.3333333 0.5773503 0.3324349), wk = 0.0030120 k( 329) = ( 0.3333333 0.5773503 0.3457323), wk = 0.0030120 k( 330) = ( 0.3333333 0.5773503 0.3590297), wk = 0.0030120 k( 331) = ( 0.3333333 0.5773503 0.3723271), wk = 0.0030120 k( 332) = ( 0.3333333 0.5773503 0.3856245), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0030120 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0030120 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0465116 -0.0000000 0.0000000), wk = 0.0030120 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0030120 k( 9) = ( 0.0930233 -0.0000000 0.0000000), wk = 0.0030120 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0030120 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0030120 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0030120 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0030120 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0030120 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0030120 k( 16) = ( 0.1744186 -0.0000000 -0.0000000), wk = 0.0030120 k( 17) = ( 0.1860465 -0.0000000 -0.0000000), wk = 0.0030120 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0030120 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0030120 k( 20) = ( 0.2209302 -0.0000000 -0.0000000), wk = 0.0030120 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0030120 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0030120 k( 23) = ( 0.2558140 -0.0000000 0.0000000), wk = 0.0030120 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0030120 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0030120 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0030120 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0030120 k( 28) = ( 0.3139535 -0.0000000 0.0000000), wk = 0.0030120 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0030120 k( 30) = ( 0.3372093 -0.0000000 0.0000000), wk = 0.0030120 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0030120 k( 32) = ( 0.3604651 -0.0000000 -0.0000000), wk = 0.0030120 k( 33) = ( 0.3720930 -0.0000000 -0.0000000), wk = 0.0030120 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0030120 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0030120 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0030120 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0030120 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0030120 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0030120 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0030120 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0030120 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0030120 k( 43) = ( 0.4883721 -0.0000000 -0.0000000), wk = 0.0030120 k( 44) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0030120 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0030120 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0030120 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0030120 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0030120 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0030120 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0030120 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0030120 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0030120 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0030120 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0030120 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0030120 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0030120 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0030120 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0030120 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0030120 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0030120 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0030120 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0030120 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0030120 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0030120 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0030120 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0030120 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0030120 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0030120 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0030120 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0030120 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0030120 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0030120 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0030120 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030120 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0030120 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0030120 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0030120 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0030120 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030120 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0030120 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0030120 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0030120 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0030120 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0030120 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0030120 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0030120 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0030120 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0030120 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030120 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0030120 k( 98) = ( 0.1533333 0.1533333 -0.0000000), wk = 0.0030120 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0030120 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0030120 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030120 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0030120 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0030120 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0030120 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0030120 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0030120 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0030120 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0030120 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0030120 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0030120 k( 111) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030120 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0030120 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0030120 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0030120 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0030120 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030120 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0030120 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0030120 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0030120 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0030120 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 123) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0030120 k( 124) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0030120 k( 125) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0030120 k( 126) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0030120 k( 127) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0030120 k( 128) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0030120 k( 129) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0030120 k( 130) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0030120 k( 131) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0030120 k( 132) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0030120 k( 133) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0030120 k( 134) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0030120 k( 135) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0030120 k( 136) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0030120 k( 137) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0030120 k( 138) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0030120 k( 139) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0030120 k( 140) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0030120 k( 141) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0030120 k( 142) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0030120 k( 143) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0030120 k( 144) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0030120 k( 145) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0030120 k( 146) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0030120 k( 147) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0030120 k( 148) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0030120 k( 149) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 153) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0030120 k( 154) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0030120 k( 155) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0030120 k( 156) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0030120 k( 157) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0030120 k( 158) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0030120 k( 159) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0030120 k( 160) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0030120 k( 161) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0030120 k( 162) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0030120 k( 163) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0030120 k( 164) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0030120 k( 165) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0030120 k( 166) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0030120 k( 167) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0030120 k( 168) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0030120 k( 169) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0030120 k( 170) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0030120 k( 171) = ( 0.2209302 -0.0000000 0.5000000), wk = 0.0030120 k( 172) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0030120 k( 173) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0030120 k( 174) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0030120 k( 175) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0030120 k( 176) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0030120 k( 177) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0030120 k( 178) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0030120 k( 179) = ( 0.3139535 -0.0000000 0.5000000), wk = 0.0030120 k( 180) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0030120 k( 181) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0030120 k( 182) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0030120 k( 183) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0030120 k( 184) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0030120 k( 185) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0030120 k( 186) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0030120 k( 187) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0030120 k( 188) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0030120 k( 189) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0030120 k( 190) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0030120 k( 191) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0030120 k( 192) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0030120 k( 193) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0030120 k( 194) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0030120 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030120 k( 196) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030120 k( 197) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0030120 k( 198) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0030120 k( 199) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0030120 k( 200) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0030120 k( 201) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0030120 k( 202) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0030120 k( 203) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0030120 k( 204) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0030120 k( 205) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0030120 k( 206) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0030120 k( 207) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0030120 k( 208) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0030120 k( 209) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0030120 k( 210) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0030120 k( 211) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0030120 k( 212) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0030120 k( 213) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0030120 k( 214) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0030120 k( 215) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0030120 k( 216) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0030120 k( 217) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0030120 k( 218) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0030120 k( 219) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0030120 k( 220) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0030120 k( 221) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 k( 223) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0030120 k( 224) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0030120 k( 225) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0030120 k( 226) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0030120 k( 227) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0030120 k( 229) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0030120 k( 230) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0030120 k( 231) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0030120 k( 232) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0030120 k( 233) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0030120 k( 234) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0030120 k( 235) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0030120 k( 236) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0030120 k( 237) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0030120 k( 238) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0030120 k( 239) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0030120 k( 240) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0030120 k( 241) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0030120 k( 242) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0030120 k( 243) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0030120 k( 244) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0030120 k( 245) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0030120 k( 246) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0030120 k( 247) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0030120 k( 248) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0030120 k( 249) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0030120 k( 250) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0030120 k( 251) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0030120 k( 252) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0030120 k( 253) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0030120 k( 254) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0030120 k( 255) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0030120 k( 256) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0030120 k( 257) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0030120 k( 258) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0030120 k( 259) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0030120 k( 260) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0030120 k( 261) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0030120 k( 262) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0030120 k( 263) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0030120 k( 264) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0030120 k( 265) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0030120 k( 266) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0030120 k( 267) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0030120 k( 268) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0030120 k( 269) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0030120 k( 270) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0030120 k( 271) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0030120 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030120 k( 273) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0030120 k( 274) = ( 0.5000000 -0.0000000 0.4827586), wk = 0.0030120 k( 275) = ( 0.5000000 -0.0000000 0.4655172), wk = 0.0030120 k( 276) = ( 0.5000000 -0.0000000 0.4482759), wk = 0.0030120 k( 277) = ( 0.5000000 -0.0000000 0.4310345), wk = 0.0030120 k( 278) = ( 0.5000000 -0.0000000 0.4137931), wk = 0.0030120 k( 279) = ( 0.5000000 -0.0000000 0.3965517), wk = 0.0030120 k( 280) = ( 0.5000000 -0.0000000 0.3793103), wk = 0.0030120 k( 281) = ( 0.5000000 -0.0000000 0.3620690), wk = 0.0030120 k( 282) = ( 0.5000000 -0.0000000 0.3448276), wk = 0.0030120 k( 283) = ( 0.5000000 -0.0000000 0.3275862), wk = 0.0030120 k( 284) = ( 0.5000000 -0.0000000 0.3103448), wk = 0.0030120 k( 285) = ( 0.5000000 -0.0000000 0.2931034), wk = 0.0030120 k( 286) = ( 0.5000000 -0.0000000 0.2758621), wk = 0.0030120 k( 287) = ( 0.5000000 -0.0000000 0.2586207), wk = 0.0030120 k( 288) = ( 0.5000000 -0.0000000 0.2413793), wk = 0.0030120 k( 289) = ( 0.5000000 -0.0000000 0.2241379), wk = 0.0030120 k( 290) = ( 0.5000000 -0.0000000 0.2068965), wk = 0.0030120 k( 291) = ( 0.5000000 -0.0000000 0.1896552), wk = 0.0030120 k( 292) = ( 0.5000000 -0.0000000 0.1724138), wk = 0.0030120 k( 293) = ( 0.5000000 -0.0000000 0.1551724), wk = 0.0030120 k( 294) = ( 0.5000000 -0.0000000 0.1379310), wk = 0.0030120 k( 295) = ( 0.5000000 -0.0000000 0.1206897), wk = 0.0030120 k( 296) = ( 0.5000000 -0.0000000 0.1034483), wk = 0.0030120 k( 297) = ( 0.5000000 -0.0000000 0.0862069), wk = 0.0030120 k( 298) = ( 0.5000000 -0.0000000 0.0689655), wk = 0.0030120 k( 299) = ( 0.5000000 -0.0000000 0.0517241), wk = 0.0030120 k( 300) = ( 0.5000000 -0.0000000 0.0344828), wk = 0.0030120 k( 301) = ( 0.5000000 -0.0000000 0.0172414), wk = 0.0030120 k( 302) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030120 k( 303) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030120 k( 304) = ( 0.3333333 0.3333333 0.0172414), wk = 0.0030120 k( 305) = ( 0.3333333 0.3333333 0.0344828), wk = 0.0030120 k( 306) = ( 0.3333333 0.3333333 0.0517241), wk = 0.0030120 k( 307) = ( 0.3333333 0.3333333 0.0689655), wk = 0.0030120 k( 308) = ( 0.3333333 0.3333333 0.0862069), wk = 0.0030120 k( 309) = ( 0.3333333 0.3333333 0.1034483), wk = 0.0030120 k( 310) = ( 0.3333333 0.3333333 0.1206897), wk = 0.0030120 k( 311) = ( 0.3333333 0.3333333 0.1379310), wk = 0.0030120 k( 312) = ( 0.3333333 0.3333333 0.1551724), wk = 0.0030120 k( 313) = ( 0.3333333 0.3333333 0.1724138), wk = 0.0030120 k( 314) = ( 0.3333333 0.3333333 0.1896552), wk = 0.0030120 k( 315) = ( 0.3333333 0.3333333 0.2068965), wk = 0.0030120 k( 316) = ( 0.3333333 0.3333333 0.2241379), wk = 0.0030120 k( 317) = ( 0.3333333 0.3333333 0.2413793), wk = 0.0030120 k( 318) = ( 0.3333333 0.3333333 0.2586207), wk = 0.0030120 k( 319) = ( 0.3333333 0.3333333 0.2758621), wk = 0.0030120 k( 320) = ( 0.3333333 0.3333333 0.2931034), wk = 0.0030120 k( 321) = ( 0.3333333 0.3333333 0.3103448), wk = 0.0030120 k( 322) = ( 0.3333333 0.3333333 0.3275862), wk = 0.0030120 k( 323) = ( 0.3333333 0.3333333 0.3448276), wk = 0.0030120 k( 324) = ( 0.3333333 0.3333333 0.3620690), wk = 0.0030120 k( 325) = ( 0.3333333 0.3333333 0.3793103), wk = 0.0030120 k( 326) = ( 0.3333333 0.3333333 0.3965517), wk = 0.0030120 k( 327) = ( 0.3333333 0.3333333 0.4137931), wk = 0.0030120 k( 328) = ( 0.3333333 0.3333333 0.4310345), wk = 0.0030120 k( 329) = ( 0.3333333 0.3333333 0.4482759), wk = 0.0030120 k( 330) = ( 0.3333333 0.3333333 0.4655172), wk = 0.0030120 k( 331) = ( 0.3333333 0.3333333 0.4827586), wk = 0.0030120 k( 332) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030120 Dense grid: 55703 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 27875 G-vectors FFT dimensions: ( 40, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 214, 58) NL pseudopotentials 0.21 Mb ( 107, 126) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1548) G-vector shells 0.01 Mb ( 714) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.76 Mb ( 214, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.22 Mb ( 126, 2, 58) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaF2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.0 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.6 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.2 secs Computing kpt #: 10 total cpu time spent up to now is 5.7 secs Computing kpt #: 11 total cpu time spent up to now is 6.1 secs Computing kpt #: 12 total cpu time spent up to now is 6.5 secs Computing kpt #: 13 total cpu time spent up to now is 6.9 secs Computing kpt #: 14 total cpu time spent up to now is 7.3 secs Computing kpt #: 15 total cpu time spent up to now is 7.7 secs Computing kpt #: 16 total cpu time spent up to now is 8.0 secs Computing kpt #: 17 total cpu time spent up to now is 8.4 secs Computing kpt #: 18 total cpu time spent up to now is 8.8 secs Computing kpt #: 19 total cpu time spent up to now is 9.2 secs Computing kpt #: 20 total cpu time spent up to now is 9.6 secs Computing kpt #: 21 total cpu time spent up to now is 10.0 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.8 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 12.0 secs Computing kpt #: 27 total cpu time spent up to now is 12.4 secs Computing kpt #: 28 total cpu time spent up to now is 12.8 secs Computing kpt #: 29 total cpu time spent up to now is 13.2 secs Computing kpt #: 30 total cpu time spent up to now is 13.6 secs Computing kpt #: 31 total cpu time spent up to now is 14.0 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.8 secs Computing kpt #: 34 total cpu time spent up to now is 15.2 secs Computing kpt #: 35 total cpu time spent up to now is 15.6 secs Computing kpt #: 36 total cpu time spent up to now is 16.0 secs Computing kpt #: 37 total cpu time spent up to now is 16.4 secs Computing kpt #: 38 total cpu time spent up to now is 16.8 secs Computing kpt #: 39 total cpu time spent up to now is 17.2 secs Computing kpt #: 40 total cpu time spent up to now is 17.6 secs Computing kpt #: 41 total cpu time spent up to now is 18.0 secs Computing kpt #: 42 total cpu time spent up to now is 18.4 secs Computing kpt #: 43 total cpu time spent up to now is 18.8 secs Computing kpt #: 44 total cpu time spent up to now is 19.2 secs Computing kpt #: 45 total cpu time spent up to now is 19.6 secs Computing kpt #: 46 total cpu time spent up to now is 20.0 secs Computing kpt #: 47 total cpu time spent up to now is 20.4 secs Computing kpt #: 48 total cpu time spent up to now is 20.8 secs Computing kpt #: 49 total cpu time spent up to now is 21.2 secs Computing kpt #: 50 total cpu time spent up to now is 21.6 secs Computing kpt #: 51 total cpu time spent up to now is 22.0 secs Computing kpt #: 52 total cpu time spent up to now is 22.4 secs Computing kpt #: 53 total cpu time spent up to now is 22.8 secs Computing kpt #: 54 total cpu time spent up to now is 23.2 secs Computing kpt #: 55 total cpu time spent up to now is 23.6 secs Computing kpt #: 56 total cpu time spent up to now is 24.0 secs Computing kpt #: 57 total cpu time spent up to now is 24.4 secs Computing kpt #: 58 total cpu time spent up to now is 24.7 secs Computing kpt #: 59 total cpu time spent up to now is 25.1 secs Computing kpt #: 60 total cpu time spent up to now is 25.5 secs Computing kpt #: 61 total cpu time spent up to now is 25.9 secs Computing kpt #: 62 total cpu time spent up to now is 26.3 secs Computing kpt #: 63 total cpu time spent up to now is 26.7 secs Computing kpt #: 64 total cpu time spent up to now is 27.0 secs Computing kpt #: 65 total cpu time spent up to now is 27.4 secs Computing kpt #: 66 total cpu time spent up to now is 27.8 secs Computing kpt #: 67 total cpu time spent up to now is 28.2 secs Computing kpt #: 68 total cpu time spent up to now is 28.6 secs Computing kpt #: 69 total cpu time spent up to now is 29.0 secs Computing kpt #: 70 total cpu time spent up to now is 29.5 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.8 secs Computing kpt #: 74 total cpu time spent up to now is 31.2 secs Computing kpt #: 75 total cpu time spent up to now is 31.6 secs Computing kpt #: 76 total cpu time spent up to now is 32.0 secs Computing kpt #: 77 total cpu time spent up to now is 32.4 secs Computing kpt #: 78 total cpu time spent up to now is 32.8 secs Computing kpt #: 79 total cpu time spent up to now is 33.2 secs Computing kpt #: 80 total cpu time spent up to now is 33.5 secs Computing kpt #: 81 total cpu time spent up to now is 33.9 secs Computing kpt #: 82 total cpu time spent up to now is 34.3 secs Computing kpt #: 83 total cpu time spent up to now is 34.7 secs Computing kpt #: 84 total cpu time spent up to now is 35.1 secs Computing kpt #: 85 total cpu time spent up to now is 35.5 secs Computing kpt #: 86 total cpu time spent up to now is 35.9 secs Computing kpt #: 87 total cpu time spent up to now is 36.2 secs Computing kpt #: 88 total cpu time spent up to now is 36.6 secs Computing kpt #: 89 total cpu time spent up to now is 37.0 secs Computing kpt #: 90 total cpu time spent up to now is 37.4 secs Computing kpt #: 91 total cpu time spent up to now is 37.8 secs Computing kpt #: 92 total cpu time spent up to now is 38.2 secs Computing kpt #: 93 total cpu time spent up to now is 38.6 secs Computing kpt #: 94 total cpu time spent up to now is 38.9 secs Computing kpt #: 95 total cpu time spent up to now is 39.3 secs Computing kpt #: 96 total cpu time spent up to now is 39.7 secs Computing kpt #: 97 total cpu time spent up to now is 40.1 secs Computing kpt #: 98 total cpu time spent up to now is 40.5 secs Computing kpt #: 99 total cpu time spent up to now is 40.9 secs Computing kpt #: 100 total cpu time spent up to now is 41.2 secs Computing kpt #: 101 total cpu time spent up to now is 41.6 secs Computing kpt #: 102 total cpu time spent up to now is 42.0 secs Computing kpt #: 103 total cpu time spent up to now is 42.4 secs Computing kpt #: 104 total cpu time spent up to now is 42.8 secs Computing kpt #: 105 total cpu time spent up to now is 43.2 secs Computing kpt #: 106 total cpu time spent up to now is 43.6 secs Computing kpt #: 107 total cpu time spent up to now is 43.9 secs Computing kpt #: 108 total cpu time spent up to now is 44.3 secs Computing kpt #: 109 total cpu time spent up to now is 44.7 secs Computing kpt #: 110 total cpu time spent up to now is 45.1 secs Computing kpt #: 111 total cpu time spent up to now is 45.5 secs Computing kpt #: 112 total cpu time spent up to now is 45.9 secs Computing kpt #: 113 total cpu time spent up to now is 46.3 secs Computing kpt #: 114 total cpu time spent up to now is 46.7 secs Computing kpt #: 115 total cpu time spent up to now is 47.1 secs Computing kpt #: 116 total cpu time spent up to now is 47.5 secs Computing kpt #: 117 total cpu time spent up to now is 47.9 secs Computing kpt #: 118 total cpu time spent up to now is 48.3 secs Computing kpt #: 119 total cpu time spent up to now is 48.7 secs Computing kpt #: 120 total cpu time spent up to now is 49.1 secs Computing kpt #: 121 total cpu time spent up to now is 49.5 secs Computing kpt #: 122 total cpu time spent up to now is 49.8 secs Computing kpt #: 123 total cpu time spent up to now is 50.2 secs Computing kpt #: 124 total cpu time spent up to now is 50.6 secs Computing kpt #: 125 total cpu time spent up to now is 51.0 secs Computing kpt #: 126 total cpu time spent up to now is 51.4 secs Computing kpt #: 127 total cpu time spent up to now is 51.8 secs Computing kpt #: 128 total cpu time spent up to now is 52.2 secs Computing kpt #: 129 total cpu time spent up to now is 52.6 secs Computing kpt #: 130 total cpu time spent up to now is 53.0 secs Computing kpt #: 131 total cpu time spent up to now is 53.4 secs Computing kpt #: 132 total cpu time spent up to now is 53.8 secs Computing kpt #: 133 total cpu time spent up to now is 54.2 secs Computing kpt #: 134 total cpu time spent up to now is 54.6 secs Computing kpt #: 135 total cpu time spent up to now is 55.0 secs Computing kpt #: 136 total cpu time spent up to now is 55.4 secs Computing kpt #: 137 total cpu time spent up to now is 55.8 secs Computing kpt #: 138 total cpu time spent up to now is 56.2 secs Computing kpt #: 139 total cpu time spent up to now is 56.6 secs Computing kpt #: 140 total cpu time spent up to now is 57.1 secs Computing kpt #: 141 total cpu time spent up to now is 57.5 secs Computing kpt #: 142 total cpu time spent up to now is 58.0 secs Computing kpt #: 143 total cpu time spent up to now is 58.4 secs Computing kpt #: 144 total cpu time spent up to now is 58.9 secs Computing kpt #: 145 total cpu time spent up to now is 59.3 secs Computing kpt #: 146 total cpu time spent up to now is 59.8 secs Computing kpt #: 147 total cpu time spent up to now is 60.2 secs Computing kpt #: 148 total cpu time spent up to now is 60.7 secs Computing kpt #: 149 total cpu time spent up to now is 61.3 secs Computing kpt #: 150 total cpu time spent up to now is 61.7 secs Computing kpt #: 151 total cpu time spent up to now is 62.2 secs Computing kpt #: 152 total cpu time spent up to now is 62.6 secs Computing kpt #: 153 total cpu time spent up to now is 63.1 secs Computing kpt #: 154 total cpu time spent up to now is 63.5 secs Computing kpt #: 155 total cpu time spent up to now is 63.9 secs Computing kpt #: 156 total cpu time spent up to now is 64.3 secs Computing kpt #: 157 total cpu time spent up to now is 64.8 secs Computing kpt #: 158 total cpu time spent up to now is 65.2 secs Computing kpt #: 159 total cpu time spent up to now is 65.6 secs Computing kpt #: 160 total cpu time spent up to now is 66.0 secs Computing kpt #: 161 total cpu time spent up to now is 66.4 secs Computing kpt #: 162 total cpu time spent up to now is 66.9 secs Computing kpt #: 163 total cpu time spent up to now is 67.3 secs Computing kpt #: 164 total cpu time spent up to now is 67.7 secs Computing kpt #: 165 total cpu time spent up to now is 68.1 secs Computing kpt #: 166 total cpu time spent up to now is 68.5 secs Computing kpt #: 167 total cpu time spent up to now is 68.9 secs Computing kpt #: 168 total cpu time spent up to now is 69.4 secs Computing kpt #: 169 total cpu time spent up to now is 69.8 secs Computing kpt #: 170 total cpu time spent up to now is 70.2 secs Computing kpt #: 171 total cpu time spent up to now is 70.7 secs Computing kpt #: 172 total cpu time spent up to now is 71.1 secs Computing kpt #: 173 total cpu time spent up to now is 71.5 secs Computing kpt #: 174 total cpu time spent up to now is 72.0 secs Computing kpt #: 175 total cpu time spent up to now is 72.4 secs Computing kpt #: 176 total cpu time spent up to now is 72.8 secs Computing kpt #: 177 total cpu time spent up to now is 73.2 secs Computing kpt #: 178 total cpu time spent up to now is 73.6 secs Computing kpt #: 179 total cpu time spent up to now is 74.0 secs Computing kpt #: 180 total cpu time spent up to now is 74.5 secs Computing kpt #: 181 total cpu time spent up to now is 74.9 secs Computing kpt #: 182 total cpu time spent up to now is 75.3 secs Computing kpt #: 183 total cpu time spent up to now is 75.7 secs Computing kpt #: 184 total cpu time spent up to now is 76.2 secs Computing kpt #: 185 total cpu time spent up to now is 76.6 secs Computing kpt #: 186 total cpu time spent up to now is 77.1 secs Computing kpt #: 187 total cpu time spent up to now is 77.5 secs Computing kpt #: 188 total cpu time spent up to now is 77.9 secs Computing kpt #: 189 total cpu time spent up to now is 78.4 secs Computing kpt #: 190 total cpu time spent up to now is 78.8 secs Computing kpt #: 191 total cpu time spent up to now is 79.3 secs Computing kpt #: 192 total cpu time spent up to now is 79.7 secs Computing kpt #: 193 total cpu time spent up to now is 80.1 secs Computing kpt #: 194 total cpu time spent up to now is 80.6 secs Computing kpt #: 195 total cpu time spent up to now is 81.0 secs Computing kpt #: 196 total cpu time spent up to now is 81.5 secs Computing kpt #: 197 total cpu time spent up to now is 81.9 secs Computing kpt #: 198 total cpu time spent up to now is 82.4 secs Computing kpt #: 199 total cpu time spent up to now is 82.8 secs Computing kpt #: 200 total cpu time spent up to now is 83.3 secs Computing kpt #: 201 total cpu time spent up to now is 83.8 secs Computing kpt #: 202 total cpu time spent up to now is 84.2 secs Computing kpt #: 203 total cpu time spent up to now is 84.7 secs Computing kpt #: 204 total cpu time spent up to now is 85.1 secs Computing kpt #: 205 total cpu time spent up to now is 85.6 secs Computing kpt #: 206 total cpu time spent up to now is 86.0 secs Computing kpt #: 207 total cpu time spent up to now is 86.4 secs Computing kpt #: 208 total cpu time spent up to now is 86.9 secs Computing kpt #: 209 total cpu time spent up to now is 87.3 secs Computing kpt #: 210 total cpu time spent up to now is 87.7 secs Computing kpt #: 211 total cpu time spent up to now is 88.2 secs Computing kpt #: 212 total cpu time spent up to now is 88.6 secs Computing kpt #: 213 total cpu time spent up to now is 89.0 secs Computing kpt #: 214 total cpu time spent up to now is 89.4 secs Computing kpt #: 215 total cpu time spent up to now is 89.9 secs Computing kpt #: 216 total cpu time spent up to now is 90.3 secs Computing kpt #: 217 total cpu time spent up to now is 90.8 secs Computing kpt #: 218 total cpu time spent up to now is 91.2 secs Computing kpt #: 219 total cpu time spent up to now is 91.6 secs Computing kpt #: 220 total cpu time spent up to now is 92.1 secs Computing kpt #: 221 total cpu time spent up to now is 92.5 secs Computing kpt #: 222 total cpu time spent up to now is 92.9 secs Computing kpt #: 223 total cpu time spent up to now is 93.3 secs Computing kpt #: 224 total cpu time spent up to now is 93.8 secs Computing kpt #: 225 total cpu time spent up to now is 94.2 secs Computing kpt #: 226 total cpu time spent up to now is 94.6 secs Computing kpt #: 227 total cpu time spent up to now is 95.1 secs Computing kpt #: 228 total cpu time spent up to now is 95.5 secs Computing kpt #: 229 total cpu time spent up to now is 95.9 secs Computing kpt #: 230 total cpu time spent up to now is 96.4 secs Computing kpt #: 231 total cpu time spent up to now is 96.8 secs Computing kpt #: 232 total cpu time spent up to now is 97.2 secs Computing kpt #: 233 total cpu time spent up to now is 97.7 secs Computing kpt #: 234 total cpu time spent up to now is 98.1 secs Computing kpt #: 235 total cpu time spent up to now is 98.5 secs Computing kpt #: 236 total cpu time spent up to now is 99.0 secs Computing kpt #: 237 total cpu time spent up to now is 99.4 secs Computing kpt #: 238 total cpu time spent up to now is 99.8 secs Computing kpt #: 239 total cpu time spent up to now is 100.3 secs Computing kpt #: 240 total cpu time spent up to now is 100.7 secs Computing kpt #: 241 total cpu time spent up to now is 101.1 secs Computing kpt #: 242 total cpu time spent up to now is 101.6 secs Computing kpt #: 243 total cpu time spent up to now is 102.0 secs Computing kpt #: 244 total cpu time spent up to now is 102.4 secs Computing kpt #: 245 total cpu time spent up to now is 103.0 secs Computing kpt #: 246 total cpu time spent up to now is 103.5 secs Computing kpt #: 247 total cpu time spent up to now is 104.0 secs Computing kpt #: 248 total cpu time spent up to now is 104.5 secs Computing kpt #: 249 total cpu time spent up to now is 105.0 secs Computing kpt #: 250 total cpu time spent up to now is 105.5 secs Computing kpt #: 251 total cpu time spent up to now is 106.1 secs Computing kpt #: 252 total cpu time spent up to now is 106.6 secs Computing kpt #: 253 total cpu time spent up to now is 107.1 secs Computing kpt #: 254 total cpu time spent up to now is 107.6 secs Computing kpt #: 255 total cpu time spent up to now is 108.2 secs Computing kpt #: 256 total cpu time spent up to now is 108.7 secs Computing kpt #: 257 total cpu time spent up to now is 109.2 secs Computing kpt #: 258 total cpu time spent up to now is 109.7 secs Computing kpt #: 259 total cpu time spent up to now is 110.2 secs Computing kpt #: 260 total cpu time spent up to now is 110.7 secs Computing kpt #: 261 total cpu time spent up to now is 111.2 secs Computing kpt #: 262 total cpu time spent up to now is 111.7 secs Computing kpt #: 263 total cpu time spent up to now is 112.2 secs Computing kpt #: 264 total cpu time spent up to now is 112.7 secs Computing kpt #: 265 total cpu time spent up to now is 113.2 secs Computing kpt #: 266 total cpu time spent up to now is 113.7 secs Computing kpt #: 267 total cpu time spent up to now is 114.2 secs Computing kpt #: 268 total cpu time spent up to now is 114.7 secs Computing kpt #: 269 total cpu time spent up to now is 115.1 secs Computing kpt #: 270 total cpu time spent up to now is 115.5 secs Computing kpt #: 271 total cpu time spent up to now is 116.0 secs Computing kpt #: 272 total cpu time spent up to now is 116.4 secs Computing kpt #: 273 total cpu time spent up to now is 116.9 secs Computing kpt #: 274 total cpu time spent up to now is 117.3 secs Computing kpt #: 275 total cpu time spent up to now is 117.8 secs Computing kpt #: 276 total cpu time spent up to now is 118.2 secs Computing kpt #: 277 total cpu time spent up to now is 118.7 secs Computing kpt #: 278 total cpu time spent up to now is 119.1 secs Computing kpt #: 279 total cpu time spent up to now is 119.6 secs Computing kpt #: 280 total cpu time spent up to now is 120.0 secs Computing kpt #: 281 total cpu time spent up to now is 120.5 secs Computing kpt #: 282 total cpu time spent up to now is 120.9 secs Computing kpt #: 283 total cpu time spent up to now is 121.4 secs Computing kpt #: 284 total cpu time spent up to now is 121.8 secs Computing kpt #: 285 total cpu time spent up to now is 122.2 secs Computing kpt #: 286 total cpu time spent up to now is 122.6 secs Computing kpt #: 287 total cpu time spent up to now is 123.0 secs Computing kpt #: 288 total cpu time spent up to now is 123.4 secs Computing kpt #: 289 total cpu time spent up to now is 123.8 secs Computing kpt #: 290 total cpu time spent up to now is 124.2 secs Computing kpt #: 291 total cpu time spent up to now is 124.6 secs Computing kpt #: 292 total cpu time spent up to now is 124.9 secs Computing kpt #: 293 total cpu time spent up to now is 125.3 secs Computing kpt #: 294 total cpu time spent up to now is 125.7 secs Computing kpt #: 295 total cpu time spent up to now is 126.1 secs Computing kpt #: 296 total cpu time spent up to now is 126.5 secs Computing kpt #: 297 total cpu time spent up to now is 126.9 secs Computing kpt #: 298 total cpu time spent up to now is 127.3 secs Computing kpt #: 299 total cpu time spent up to now is 127.7 secs Computing kpt #: 300 total cpu time spent up to now is 128.1 secs Computing kpt #: 301 total cpu time spent up to now is 128.5 secs Computing kpt #: 302 total cpu time spent up to now is 128.9 secs Computing kpt #: 303 total cpu time spent up to now is 129.4 secs Computing kpt #: 304 total cpu time spent up to now is 129.8 secs Computing kpt #: 305 total cpu time spent up to now is 130.2 secs Computing kpt #: 306 total cpu time spent up to now is 130.7 secs Computing kpt #: 307 total cpu time spent up to now is 131.1 secs Computing kpt #: 308 total cpu time spent up to now is 131.6 secs Computing kpt #: 309 total cpu time spent up to now is 132.0 secs Computing kpt #: 310 total cpu time spent up to now is 132.4 secs Computing kpt #: 311 total cpu time spent up to now is 132.9 secs Computing kpt #: 312 total cpu time spent up to now is 133.3 secs Computing kpt #: 313 total cpu time spent up to now is 133.8 secs Computing kpt #: 314 total cpu time spent up to now is 134.3 secs Computing kpt #: 315 total cpu time spent up to now is 134.8 secs Computing kpt #: 316 total cpu time spent up to now is 135.2 secs Computing kpt #: 317 total cpu time spent up to now is 135.7 secs Computing kpt #: 318 total cpu time spent up to now is 136.2 secs Computing kpt #: 319 total cpu time spent up to now is 136.6 secs Computing kpt #: 320 total cpu time spent up to now is 137.1 secs Computing kpt #: 321 total cpu time spent up to now is 137.6 secs Computing kpt #: 322 total cpu time spent up to now is 138.0 secs Computing kpt #: 323 total cpu time spent up to now is 138.5 secs Computing kpt #: 324 total cpu time spent up to now is 138.9 secs Computing kpt #: 325 total cpu time spent up to now is 139.3 secs Computing kpt #: 326 total cpu time spent up to now is 139.7 secs Computing kpt #: 327 total cpu time spent up to now is 140.2 secs Computing kpt #: 328 total cpu time spent up to now is 140.6 secs Computing kpt #: 329 total cpu time spent up to now is 141.0 secs Computing kpt #: 330 total cpu time spent up to now is 141.4 secs Computing kpt #: 331 total cpu time spent up to now is 141.8 secs Computing kpt #: 332 total cpu time spent up to now is 142.2 secs ethr = 2.08E-08, avg # of iterations = 16.9 total cpu time spent up to now is 142.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3497 PWs) bands (ev): -16.3850 -16.3850 -15.5991 -15.5991 -12.8144 -12.8144 -12.3676 -12.3676 -11.5964 -11.5964 -11.5852 -11.5852 -2.8336 -2.8336 -1.9677 -1.9677 -1.1971 -1.1971 -0.6758 -0.6758 -0.0886 -0.0886 0.2558 0.2558 4.5477 4.5477 4.5768 4.5768 5.5241 5.5241 5.6010 5.6010 5.8183 5.8183 5.9243 5.9243 6.4306 6.4306 6.5437 6.5437 6.5802 6.5802 7.4848 7.4848 7.6773 7.6773 7.9959 7.9959 14.6457 14.6457 14.7116 14.7116 15.3731 15.3731 17.1433 17.1433 17.4158 17.4158 k = 0.0116 0.0067-0.0000 ( 3505 PWs) bands (ev): -16.3845 -16.3845 -15.5988 -15.5988 -12.8150 -12.8150 -12.3682 -12.3682 -11.5967 -11.5967 -11.5852 -11.5852 -2.8335 -2.8335 -1.9679 -1.9679 -1.1972 -1.1972 -0.6759 -0.6759 -0.0885 -0.0885 0.2554 0.2554 4.5496 4.5496 4.5785 4.5785 5.5242 5.5242 5.5976 5.5976 5.8062 5.8062 5.9414 5.9414 6.4303 6.4303 6.5438 6.5438 6.5803 6.5803 7.4835 7.4835 7.6758 7.6758 7.9956 7.9956 14.6475 14.6475 14.7134 14.7134 15.3750 15.3750 17.1396 17.1396 17.4186 17.4186 k = 0.0233 0.0134-0.0000 ( 3505 PWs) bands (ev): -16.3828 -16.3828 -15.5981 -15.5981 -12.8168 -12.8168 -12.3702 -12.3702 -11.5976 -11.5976 -11.5850 -11.5850 -2.8333 -2.8333 -1.9686 -1.9686 -1.1975 -1.1975 -0.6761 -0.6761 -0.0880 -0.0880 0.2542 0.2542 4.5550 4.5550 4.5837 4.5837 5.5243 5.5243 5.5870 5.5870 5.7842 5.7842 5.9792 5.9792 6.4294 6.4294 6.5441 6.5441 6.5806 6.5806 7.4794 7.4794 7.6712 7.6712 7.9949 7.9949 14.6526 14.6526 14.7189 14.7189 15.3805 15.3805 17.1286 17.1286 17.4269 17.4269 k = 0.0349 0.0201-0.0000 ( 3495 PWs) bands (ev): -16.3800 -16.3800 -15.5968 -15.5968 -12.8198 -12.8198 -12.3734 -12.3734 -11.5991 -11.5991 -11.5847 -11.5847 -2.8329 -2.8329 -1.9698 -1.9698 -1.1981 -1.1981 -0.6763 -0.6763 -0.0873 -0.0873 0.2523 0.2523 4.5641 4.5641 4.5924 4.5924 5.5245 5.5245 5.5685 5.5685 5.7659 5.7659 6.0246 6.0246 6.4280 6.4280 6.5444 6.5444 6.5814 6.5814 7.4724 7.4724 7.6639 7.6639 7.9938 7.9938 14.6607 14.6607 14.7285 14.7285 15.3897 15.3897 17.1110 17.1110 17.4407 17.4407 k = 0.0465 0.0269-0.0000 ( 3487 PWs) bands (ev): -16.3760 -16.3760 -15.5951 -15.5951 -12.8239 -12.8239 -12.3780 -12.3780 -11.6011 -11.6011 -11.5842 -11.5842 -2.8324 -2.8324 -1.9714 -1.9714 -1.1988 -1.1988 -0.6766 -0.6766 -0.0864 -0.0864 0.2495 0.2495 4.5765 4.5765 4.6047 4.6047 5.5248 5.5248 5.5423 5.5423 5.7553 5.7553 6.0731 6.0731 6.4262 6.4262 6.5445 6.5445 6.5828 6.5828 7.4623 7.4623 7.6542 7.6542 7.9923 7.9923 14.6709 14.6709 14.7428 14.7428 15.4023 15.4023 17.0873 17.0873 17.4597 17.4597 k = 0.0581 0.0336-0.0000 ( 3483 PWs) bands (ev): -16.3710 -16.3710 -15.5929 -15.5929 -12.8292 -12.8292 -12.3838 -12.3838 -11.6038 -11.6038 -11.5836 -11.5836 -2.8317 -2.8317 -1.9734 -1.9734 -1.1998 -1.1998 -0.6770 -0.6770 -0.0852 -0.0852 0.2460 0.2460 4.5922 4.5922 4.6207 4.6207 5.5102 5.5102 5.5255 5.5255 5.7522 5.7522 6.1227 6.1227 6.4242 6.4242 6.5442 6.5442 6.5851 6.5851 7.4486 7.4486 7.6425 7.6425 7.9903 7.9903 14.6826 14.6826 14.7623 14.7623 15.4184 15.4184 17.0585 17.0585 17.4840 17.4840 k = 0.0698 0.0403-0.0000 ( 3479 PWs) bands (ev): -16.3648 -16.3648 -15.5902 -15.5902 -12.8356 -12.8356 -12.3909 -12.3909 -11.6070 -11.6070 -11.5829 -11.5829 -2.8308 -2.8308 -1.9759 -1.9759 -1.2009 -1.2009 -0.6774 -0.6774 -0.0839 -0.0839 0.2417 0.2417 4.6108 4.6108 4.6403 4.6403 5.4752 5.4752 5.5259 5.5259 5.7549 5.7549 6.1722 6.1722 6.4221 6.4221 6.5432 6.5432 6.5886 6.5886 7.4310 7.4310 7.6296 7.6296 7.9879 7.9879 14.6952 14.6952 14.7872 14.7872 15.4376 15.4376 17.0255 17.0255 17.5131 17.5131 k = 0.0814 0.0470-0.0000 ( 3475 PWs) bands (ev): -16.3576 -16.3576 -15.5871 -15.5871 -12.8431 -12.8431 -12.3992 -12.3992 -11.6107 -11.6107 -11.5821 -11.5821 -2.8297 -2.8297 -1.9788 -1.9788 -1.2022 -1.2022 -0.6777 -0.6777 -0.0825 -0.0825 0.2366 0.2366 4.6322 4.6322 4.6638 4.6638 5.4389 5.4389 5.5265 5.5265 5.7620 5.7620 6.2205 6.2205 6.4206 6.4206 6.5415 6.5415 6.5936 6.5936 7.4092 7.4092 7.6158 7.6158 7.9851 7.9851 14.7085 14.7085 14.8173 14.8173 15.4599 15.4599 16.9892 16.9892 17.5467 17.5467 k = 0.0930 0.0537-0.0000 ( 3473 PWs) bands (ev): -16.3493 -16.3493 -15.5835 -15.5835 -12.8517 -12.8517 -12.4088 -12.4088 -11.6150 -11.6150 -11.5812 -11.5812 -2.8285 -2.8285 -1.9821 -1.9821 -1.2036 -1.2036 -0.6780 -0.6780 -0.0811 -0.0811 0.2308 0.2308 4.6561 4.6561 4.6909 4.6909 5.4027 5.4027 5.5273 5.5273 5.7725 5.7725 6.2658 6.2658 6.4209 6.4209 6.5390 6.5390 6.6000 6.6000 7.3830 7.3830 7.6018 7.6018 7.9820 7.9820 14.7227 14.7227 14.8523 14.8523 15.4850 15.4850 16.9504 16.9504 17.5845 17.5845 k = 0.1047 0.0604-0.0000 ( 3467 PWs) bands (ev): -16.3400 -16.3400 -15.5796 -15.5796 -12.8612 -12.8612 -12.4195 -12.4195 -11.6197 -11.6197 -11.5801 -11.5801 -2.8270 -2.8270 -1.9858 -1.9858 -1.2051 -1.2051 -0.6782 -0.6782 -0.0797 -0.0797 0.2243 0.2243 4.6826 4.6826 4.7217 4.7217 5.3675 5.3675 5.5282 5.5282 5.7856 5.7856 6.3052 6.3052 6.4255 6.4255 6.5359 6.5359 6.6078 6.6078 7.3523 7.3523 7.5876 7.5876 7.9785 7.9785 14.7378 14.7378 14.8916 14.8916 15.5126 15.5126 16.9097 16.9097 17.6258 17.6258 k = 0.1163 0.0671-0.0000 ( 3469 PWs) bands (ev): -16.3296 -16.3296 -15.5753 -15.5753 -12.8716 -12.8716 -12.4315 -12.4315 -11.6250 -11.6250 -11.5789 -11.5789 -2.8254 -2.8254 -1.9899 -1.9899 -1.2067 -1.2067 -0.6782 -0.6782 -0.0784 -0.0784 0.2171 0.2171 4.7115 4.7115 4.7557 4.7557 5.3340 5.3340 5.5292 5.5292 5.8009 5.8009 6.3333 6.3333 6.4394 6.4394 6.5323 6.5323 6.6172 6.6172 7.3175 7.3175 7.5736 7.5736 7.9747 7.9747 14.7537 14.7537 14.9346 14.9346 15.5425 15.5425 16.8679 16.8679 17.6699 17.6699 k = 0.1279 0.0738-0.0000 ( 3473 PWs) bands (ev): -16.3182 -16.3182 -15.5707 -15.5707 -12.8830 -12.8830 -12.4445 -12.4445 -11.6306 -11.6306 -11.5777 -11.5777 -2.8236 -2.8236 -1.9943 -1.9943 -1.2084 -1.2084 -0.6780 -0.6780 -0.0773 -0.0773 0.2092 0.2092 4.7427 4.7427 4.7928 4.7928 5.3025 5.3025 5.5303 5.5303 5.8180 5.8180 6.3470 6.3470 6.4649 6.4649 6.5288 6.5288 6.6279 6.6279 7.2789 7.2789 7.5596 7.5596 7.9706 7.9706 14.7707 14.7707 14.9807 14.9807 15.5745 15.5745 16.8253 16.8253 17.7157 17.7157 k = 0.1395 0.0806-0.0000 ( 3479 PWs) bands (ev): -16.3058 -16.3058 -15.5657 -15.5657 -12.8951 -12.8951 -12.4587 -12.4587 -11.6366 -11.6366 -11.5764 -11.5764 -2.8215 -2.8215 -1.9990 -1.9990 -1.2102 -1.2102 -0.6776 -0.6776 -0.0765 -0.0765 0.2007 0.2007 4.7763 4.7763 4.8328 4.8328 5.2733 5.2733 5.5317 5.5317 5.8367 5.8367 6.3501 6.3501 6.4952 6.4952 6.5282 6.5282 6.6400 6.6400 7.2370 7.2370 7.5457 7.5457 7.9663 7.9663 14.7886 14.7886 15.0293 15.0293 15.6083 15.6083 16.7825 16.7825 17.7621 17.7621 k = 0.1512 0.0873-0.0000 ( 3479 PWs) bands (ev): -16.2925 -16.2925 -15.5606 -15.5606 -12.9080 -12.9080 -12.4738 -12.4738 -11.6430 -11.6430 -11.5750 -11.5750 -2.8192 -2.8192 -2.0040 -2.0040 -1.2120 -1.2120 -0.6767 -0.6767 -0.0760 -0.0760 0.1916 0.1916 4.8120 4.8120 4.8751 4.8751 5.2468 5.2468 5.5333 5.5333 5.8567 5.8567 6.3477 6.3477 6.5086 6.5086 6.5470 6.5470 6.6535 6.6535 7.1924 7.1924 7.5316 7.5316 7.9616 7.9616 14.8075 14.8075 15.0796 15.0796 15.6435 15.6435 16.7397 16.7397 17.8074 17.8074 k = 0.1628 0.0940-0.0000 ( 3475 PWs) bands (ev): -16.2783 -16.2783 -15.5552 -15.5552 -12.9215 -12.9215 -12.4900 -12.4900 -11.6498 -11.6498 -11.5735 -11.5735 -2.8167 -2.8167 -2.0092 -2.0092 -1.2139 -1.2139 -0.6754 -0.6754 -0.0760 -0.0760 0.1818 0.1818 4.8498 4.8498 4.9196 4.9196 5.2230 5.2230 5.5352 5.5352 5.8779 5.8779 6.3426 6.3426 6.5060 6.5060 6.5815 6.5815 6.6684 6.6684 7.1456 7.1456 7.5172 7.5172 7.9567 7.9567 14.8272 14.8272 15.1309 15.1309 15.6801 15.6801 16.6971 16.6971 17.8495 17.8495 k = 0.1744 0.1007-0.0000 ( 3464 PWs) bands (ev): -16.2631 -16.2631 -15.5496 -15.5496 -12.9356 -12.9356 -12.5072 -12.5072 -11.6568 -11.6568 -11.5719 -11.5719 -2.8140 -2.8140 -2.0147 -2.0147 -1.2158 -1.2158 -0.6737 -0.6737 -0.0764 -0.0764 0.1716 0.1716 4.8895 4.8895 4.9659 4.9659 5.2022 5.2022 5.5374 5.5374 5.8999 5.8999 6.3359 6.3359 6.5006 6.5006 6.6169 6.6169 6.6845 6.6845 7.0972 7.0972 7.5024 7.5024 7.9516 7.9516 14.8477 14.8477 15.1825 15.1825 15.7177 15.7177 16.6550 16.6550 17.8861 17.8861 k = 0.1860 0.1074-0.0000 ( 3464 PWs) bands (ev): -16.2472 -16.2472 -15.5439 -15.5439 -12.9502 -12.9502 -12.5252 -12.5252 -11.6640 -11.6640 -11.5703 -11.5703 -2.8111 -2.8111 -2.0204 -2.0204 -1.2177 -1.2177 -0.6713 -0.6713 -0.0774 -0.0774 0.1609 0.1609 4.9310 4.9310 5.0134 5.0134 5.1845 5.1845 5.5400 5.5400 5.9226 5.9226 6.3284 6.3284 6.4944 6.4944 6.6508 6.6508 6.7019 6.7019 7.0479 7.0479 7.4871 7.4871 7.9463 7.9463 14.8688 14.8688 15.2334 15.2334 15.7560 15.7560 16.6135 16.6135 17.9148 17.9148 k = 0.1977 0.1141-0.0000 ( 3462 PWs) bands (ev): -16.2304 -16.2304 -15.5381 -15.5381 -12.9652 -12.9652 -12.5440 -12.5440 -11.6715 -11.6715 -11.5686 -11.5686 -2.8080 -2.8080 -2.0263 -2.0263 -1.2196 -1.2196 -0.6684 -0.6684 -0.0791 -0.0791 0.1497 0.1497 4.9739 4.9739 5.0619 5.0619 5.1701 5.1701 5.5431 5.5431 5.9458 5.9458 6.3204 6.3204 6.4877 6.4877 6.6821 6.6821 6.7206 6.7206 6.9983 6.9983 7.4713 7.4713 7.9408 7.9408 14.8906 14.8906 15.2827 15.2827 15.7948 15.7948 16.5725 16.5725 17.9334 17.9334 k = 0.2093 0.1208-0.0000 ( 3466 PWs) bands (ev): -16.2128 -16.2128 -15.5324 -15.5324 -12.9805 -12.9805 -12.5636 -12.5636 -11.6791 -11.6791 -11.5669 -11.5669 -2.8048 -2.8048 -2.0322 -2.0322 -1.2217 -1.2217 -0.6647 -0.6647 -0.0814 -0.0814 0.1382 0.1382 5.0176 5.0176 5.1107 5.1107 5.1593 5.1593 5.5466 5.5466 5.9690 5.9690 6.3121 6.3121 6.4808 6.4808 6.7104 6.7104 6.7403 6.7403 6.9493 6.9493 7.4547 7.4547 7.9352 7.9352 14.9129 14.9129 15.3296 15.3296 15.8339 15.8339 16.5319 16.5319 17.9410 17.9410 k = 0.2209 0.1276-0.0000 ( 3462 PWs) bands (ev): -16.1946 -16.1946 -15.5267 -15.5267 -12.9961 -12.9961 -12.5838 -12.5838 -11.6869 -11.6869 -11.5651 -11.5651 -2.8013 -2.8013 -2.0383 -2.0383 -1.2238 -1.2238 -0.6602 -0.6602 -0.0844 -0.0844 0.1263 0.1263 5.0609 5.0609 5.1533 5.1533 5.1595 5.1595 5.5508 5.5508 5.9920 5.9920 6.3039 6.3039 6.4737 6.4737 6.7352 6.7352 6.7611 6.7611 6.9017 6.9017 7.4375 7.4375 7.9295 7.9295 14.9355 14.9355 15.3730 15.3730 15.8730 15.8730 16.4918 16.4918 17.9377 17.9377 k = 0.2326 0.1343-0.0000 ( 3466 PWs) bands (ev): -16.1757 -16.1757 -15.5211 -15.5211 -13.0118 -13.0118 -12.6047 -12.6047 -11.6947 -11.6947 -11.5634 -11.5634 -2.7977 -2.7977 -2.0444 -2.0444 -1.2260 -1.2260 -0.6548 -0.6548 -0.0881 -0.0881 0.1141 0.1141 5.0982 5.0982 5.1574 5.1574 5.2075 5.2075 5.5557 5.5557 6.0144 6.0144 6.2962 6.2962 6.4664 6.4664 6.7555 6.7555 6.7829 6.7829 6.8570 6.8570 7.4195 7.4195 7.9236 7.9236 14.9584 14.9584 15.4120 15.4120 15.9120 15.9120 16.4519 16.4519 17.9251 17.9251 k = 0.2442 0.1410-0.0000 ( 3466 PWs) bands (ev): -16.1562 -16.1562 -15.5157 -15.5157 -13.0275 -13.0275 -12.6260 -12.6260 -11.7026 -11.7026 -11.5616 -11.5616 -2.7940 -2.7940 -2.0505 -2.0505 -1.2283 -1.2283 -0.6486 -0.6486 -0.0926 -0.0926 0.1017 0.1017 5.1171 5.1171 5.1836 5.1836 5.2543 5.2543 5.5614 5.5614 6.0356 6.0356 6.2893 6.2893 6.4591 6.4591 6.7672 6.7672 6.8056 6.8056 6.8199 6.8199 7.4007 7.4007 7.9177 7.9177 14.9815 14.9815 15.4458 15.4458 15.9505 15.9505 16.4121 16.4121 17.9057 17.9057 k = 0.2558 0.1477-0.0000 ( 3458 PWs) bands (ev): -16.1362 -16.1362 -15.5105 -15.5105 -13.0431 -13.0431 -12.6477 -12.6477 -11.7105 -11.7105 -11.5598 -11.5598 -2.7902 -2.7902 -2.0565 -2.0565 -1.2307 -1.2307 -0.6415 -0.6415 -0.0978 -0.0978 0.0891 0.0891 5.1226 5.1226 5.2266 5.2266 5.2992 5.2992 5.5680 5.5680 6.0550 6.0550 6.2839 6.2839 6.4518 6.4518 6.7539 6.7539 6.8075 6.8075 6.8290 6.8290 7.3810 7.3810 7.9118 7.9118 15.0045 15.0045 15.4735 15.4735 15.9884 15.9884 16.3720 16.3720 17.8821 17.8821 k = 0.2674 0.1544-0.0000 ( 3460 PWs) bands (ev): -16.1156 -16.1156 -15.5056 -15.5056 -13.0586 -13.0586 -12.6698 -12.6698 -11.7183 -11.7183 -11.5580 -11.5580 -2.7863 -2.7863 -2.0625 -2.0625 -1.2333 -1.2333 -0.6333 -0.6333 -0.1037 -0.1037 0.0763 0.0763 5.1258 5.1258 5.2747 5.2747 5.3417 5.3417 5.5756 5.5756 6.0716 6.0716 6.2806 6.2806 6.4445 6.4445 6.7230 6.7230 6.8133 6.8133 6.8530 6.8530 7.3606 7.3606 7.9059 7.9059 15.0275 15.0275 15.4946 15.4946 16.0255 16.0255 16.3315 16.3315 17.8567 17.8567 k = 0.2791 0.1611-0.0000 ( 3468 PWs) bands (ev): -16.0947 -16.0947 -15.5011 -15.5011 -13.0738 -13.0738 -12.6921 -12.6921 -11.7261 -11.7261 -11.5562 -11.5562 -2.7823 -2.7823 -2.0683 -2.0683 -1.2361 -1.2361 -0.6242 -0.6242 -0.1103 -0.1103 0.0635 0.0635 5.1295 5.1295 5.3244 5.3244 5.3813 5.3813 5.5843 5.5843 6.0845 6.0845 6.2802 6.2802 6.4372 6.4372 6.6926 6.6926 6.8199 6.8199 6.8774 6.8774 7.3393 7.3393 7.9000 7.9000 15.0503 15.0503 15.5088 15.5088 16.0615 16.0615 16.2904 16.2904 17.8316 17.8316 k = 0.2907 0.1678-0.0000 ( 3478 PWs) bands (ev): -16.0735 -16.0735 -15.4970 -15.4970 -13.0886 -13.0886 -12.7145 -12.7145 -11.7337 -11.7337 -11.5545 -11.5545 -2.7783 -2.7783 -2.0740 -2.0740 -1.2391 -1.2391 -0.6140 -0.6140 -0.1175 -0.1175 0.0505 0.0505 5.1343 5.1343 5.3745 5.3745 5.4176 5.4176 5.5942 5.5942 6.0929 6.0929 6.2835 6.2835 6.4301 6.4301 6.6666 6.6666 6.8240 6.8240 6.9020 6.9020 7.3172 7.3172 7.8941 7.8941 15.0728 15.0728 15.5160 15.5160 16.0964 16.0964 16.2487 16.2487 17.8084 17.8084 k = 0.3023 0.1745-0.0000 ( 3476 PWs) bands (ev): -16.0520 -16.0520 -15.4933 -15.4933 -13.1029 -13.1029 -12.7369 -12.7369 -11.7411 -11.7411 -11.5527 -11.5527 -2.7744 -2.7744 -2.0794 -2.0794 -1.2422 -1.2422 -0.6029 -0.6029 -0.1253 -0.1253 0.0375 0.0375 5.1399 5.1399 5.4238 5.4238 5.4507 5.4507 5.6056 5.6056 6.0965 6.0965 6.2906 6.2906 6.4231 6.4231 6.6464 6.6464 6.8252 6.8252 6.9267 6.9267 7.2944 7.2944 7.8884 7.8884 15.0948 15.0948 15.5163 15.5163 16.1293 16.1293 16.2068 16.2068 17.7882 17.7882 k = 0.3140 0.1813-0.0000 ( 3472 PWs) bands (ev): -16.0304 -16.0304 -15.4903 -15.4903 -13.1167 -13.1167 -12.7592 -12.7592 -11.7484 -11.7484 -11.5511 -11.5511 -2.7704 -2.7704 -2.0846 -2.0846 -1.2456 -1.2456 -0.5908 -0.5908 -0.1336 -0.1336 0.0245 0.0245 5.1461 5.1461 5.4695 5.4695 5.4825 5.4825 5.6190 5.6190 6.0955 6.0955 6.3010 6.3010 6.4163 6.4163 6.6325 6.6325 6.8234 6.8234 6.9513 6.9513 7.2708 7.2708 7.8828 7.8828 15.1162 15.1162 15.5102 15.5102 16.1504 16.1504 16.1745 16.1745 17.7719 17.7719 k = 0.3256 0.1880-0.0000 ( 3476 PWs) bands (ev): -16.0087 -16.0087 -15.4878 -15.4878 -13.1299 -13.1299 -12.7812 -12.7812 -11.7554 -11.7554 -11.5494 -11.5494 -2.7666 -2.7666 -2.0895 -2.0895 -1.2490 -1.2490 -0.5778 -0.5778 -0.1423 -0.1423 0.0115 0.0115 5.1524 5.1524 5.5024 5.5024 5.5206 5.5206 5.6358 5.6358 6.0908 6.0908 6.3140 6.3140 6.4097 6.4097 6.6251 6.6251 6.8186 6.8186 6.9756 6.9756 7.2465 7.2465 7.8773 7.8773 15.1370 15.1370 15.4984 15.4984 16.1149 16.1149 16.1967 16.1967 17.7598 17.7598 k = 0.3372 0.1947-0.0000 ( 3480 PWs) bands (ev): -15.9871 -15.9871 -15.4860 -15.4860 -13.1423 -13.1423 -12.8029 -12.8029 -11.7621 -11.7621 -11.5479 -11.5479 -2.7628 -2.7628 -2.0941 -2.0941 -1.2527 -1.2527 -0.5640 -0.5640 -0.1514 -0.1514 -0.0015 -0.0015 5.1582 5.1582 5.5271 5.5271 5.5576 5.5576 5.6587 5.6587 6.0833 6.0833 6.3284 6.3284 6.4034 6.4034 6.6238 6.6238 6.8112 6.8112 6.9993 6.9993 7.2218 7.2218 7.8721 7.8721 15.1570 15.1570 15.4818 15.4818 16.0708 16.0708 16.2254 16.2254 17.7521 17.7521 k = 0.3488 0.2014-0.0000 ( 3486 PWs) bands (ev): -15.9657 -15.9657 -15.4848 -15.4848 -13.1539 -13.1539 -12.8241 -12.8241 -11.7686 -11.7686 -11.5464 -11.5464 -2.7592 -2.7592 -2.0984 -2.0984 -1.2564 -1.2564 -0.5494 -0.5494 -0.1607 -0.1607 -0.0144 -0.0144 5.1632 5.1632 5.5493 5.5493 5.5858 5.5858 5.6902 5.6902 6.0738 6.0738 6.3435 6.3435 6.3974 6.3974 6.6281 6.6281 6.8015 6.8015 7.0221 7.0221 7.1967 7.1967 7.8670 7.8670 15.1761 15.1761 15.4613 15.4613 16.0261 16.0261 16.2530 16.2530 17.7488 17.7488 k = 0.3605 0.2081-0.0000 ( 3492 PWs) bands (ev): -15.9445 -15.9445 -15.4844 -15.4844 -13.1646 -13.1646 -12.8446 -12.8446 -11.7747 -11.7747 -11.5449 -11.5449 -2.7558 -2.7558 -2.1023 -2.1023 -1.2601 -1.2601 -0.5341 -0.5341 -0.1702 -0.1702 -0.0272 -0.0272 5.1668 5.1668 5.5701 5.5701 5.6056 5.6056 5.7291 5.7291 6.0633 6.0633 6.3586 6.3586 6.3917 6.3917 6.6366 6.6366 6.7900 6.7900 7.0437 7.0437 7.1718 7.1718 7.8622 7.8622 15.1942 15.1942 15.4379 15.4379 15.9815 15.9815 16.2792 16.2792 17.7496 17.7496 k = 0.3721 0.2148-0.0000 ( 3490 PWs) bands (ev): -15.9238 -15.9238 -15.4846 -15.4846 -13.1744 -13.1744 -12.8644 -12.8644 -11.7804 -11.7804 -11.5436 -11.5436 -2.7526 -2.7526 -2.1059 -2.1059 -1.2639 -1.2639 -0.5182 -0.5182 -0.1798 -0.1798 -0.0398 -0.0398 5.1689 5.1689 5.5897 5.5897 5.6205 5.6205 5.7717 5.7717 6.0523 6.0523 6.3732 6.3732 6.3863 6.3863 6.6480 6.6480 6.7777 6.7777 7.0629 7.0629 7.1480 7.1480 7.8577 7.8577 15.2113 15.2113 15.4126 15.4126 15.9377 15.9377 16.3037 16.3037 17.7541 17.7541 k = 0.3837 0.2215-0.0000 ( 3486 PWs) bands (ev): -15.9037 -15.9037 -15.4854 -15.4854 -13.1832 -13.1832 -12.8833 -12.8833 -11.7857 -11.7857 -11.5423 -11.5423 -2.7495 -2.7495 -2.1091 -2.1091 -1.2676 -1.2676 -0.5020 -0.5020 -0.1895 -0.1895 -0.0522 -0.0522 5.1691 5.1691 5.6077 5.6077 5.6342 5.6342 5.8149 5.8149 6.0417 6.0417 6.3812 6.3812 6.3872 6.3872 6.6598 6.6598 6.7660 6.7660 7.0765 7.0765 7.1287 7.1287 7.8535 7.8535 15.2271 15.2271 15.3863 15.3863 15.8953 15.8953 16.3264 16.3264 17.7617 17.7617 k = 0.3953 0.2283-0.0000 ( 3494 PWs) bands (ev): -15.8844 -15.8844 -15.4870 -15.4870 -13.1911 -13.1911 -12.9011 -12.9011 -11.7906 -11.7906 -11.5412 -11.5412 -2.7467 -2.7467 -2.1119 -2.1119 -1.2712 -1.2712 -0.4854 -0.4854 -0.1992 -0.1992 -0.0642 -0.0642 5.1676 5.1676 5.6229 5.6229 5.6495 5.6495 5.8562 5.8562 6.0324 6.0324 6.3767 6.3767 6.4001 6.4001 6.6685 6.6685 6.7579 6.7579 7.0739 7.0739 7.1245 7.1245 7.8496 7.8496 15.2417 15.2417 15.3599 15.3599 15.8548 15.8548 16.3472 16.3472 17.7718 17.7718 k = 0.4070 0.2350-0.0000 ( 3494 PWs) bands (ev): -15.8660 -15.8660 -15.4890 -15.4890 -13.1979 -13.1979 -12.9176 -12.9176 -11.7950 -11.7950 -11.5402 -11.5402 -2.7442 -2.7442 -2.1144 -2.1144 -1.2746 -1.2746 -0.4688 -0.4688 -0.2090 -0.2090 -0.0757 -0.0757 5.1646 5.1646 5.6348 5.6348 5.6675 5.6675 5.8929 5.8929 6.0263 6.0263 6.3725 6.3725 6.4117 6.4117 6.6700 6.6700 6.7569 6.7569 7.0559 7.0559 7.1347 7.1347 7.8461 7.8461 15.2549 15.2549 15.3343 15.3343 15.8168 15.8168 16.3662 16.3662 17.7837 17.7837 k = 0.4186 0.2417-0.0000 ( 3490 PWs) bands (ev): -15.8488 -15.8488 -15.4915 -15.4915 -13.2038 -13.2038 -12.9328 -12.9328 -11.7989 -11.7989 -11.5392 -11.5392 -2.7419 -2.7419 -2.1166 -2.1166 -1.2778 -1.2778 -0.4521 -0.4521 -0.2187 -0.2187 -0.0865 -0.0865 5.1604 5.1604 5.6445 5.6445 5.6874 5.6874 5.9208 5.9208 6.0272 6.0272 6.3687 6.3687 6.4220 6.4220 6.6631 6.6631 6.7636 6.7636 7.0342 7.0342 7.1482 7.1482 7.8429 7.8429 15.2665 15.2665 15.3103 15.3103 15.7818 15.7818 16.3832 16.3832 17.7965 17.7965 k = 0.4302 0.2484-0.0000 ( 3484 PWs) bands (ev): -15.8330 -15.8330 -15.4944 -15.4944 -13.2087 -13.2087 -12.9464 -12.9464 -11.8024 -11.8024 -11.5384 -11.5384 -2.7399 -2.7399 -2.1184 -2.1184 -1.2808 -1.2808 -0.4358 -0.4358 -0.2284 -0.2284 -0.0965 -0.0965 5.1555 5.1555 5.6528 5.6528 5.7077 5.7077 5.9353 5.9353 6.0390 6.0390 6.3654 6.3654 6.4308 6.4308 6.6510 6.6510 6.7748 6.7748 7.0127 7.0127 7.1612 7.1612 7.8402 7.8402 15.2756 15.2756 15.2894 15.2894 15.7504 15.7504 16.3981 16.3981 17.8096 17.8096 k = 0.4419 0.2551-0.0000 ( 3488 PWs) bands (ev): -15.8189 -15.8189 -15.4974 -15.4974 -13.2128 -13.2128 -12.9583 -12.9583 -11.8054 -11.8054 -11.5377 -11.5377 -2.7382 -2.7382 -2.1199 -2.1199 -1.2833 -1.2833 -0.4201 -0.4201 -0.2380 -0.2380 -0.1055 -0.1055 5.1504 5.1504 5.6602 5.6602 5.7274 5.7274 5.9378 5.9378 6.0599 6.0599 6.3626 6.3626 6.4379 6.4379 6.6371 6.6371 6.7870 6.7870 6.9929 6.9929 7.1728 7.1728 7.8378 7.8378 15.2667 15.2667 15.2876 15.2876 15.7230 15.7230 16.4108 16.4108 17.8222 17.8222 k = 0.4535 0.2618-0.0000 ( 3484 PWs) bands (ev): -15.8068 -15.8068 -15.5003 -15.5003 -13.2159 -13.2159 -12.9683 -12.9683 -11.8078 -11.8078 -11.5371 -11.5371 -2.7368 -2.7368 -2.1211 -2.1211 -1.2855 -1.2855 -0.4053 -0.4053 -0.2474 -0.2474 -0.1131 -0.1131 5.1455 5.1455 5.6666 5.6666 5.7457 5.7457 5.9341 5.9341 6.0834 6.0834 6.3603 6.3603 6.4434 6.4434 6.6236 6.6236 6.7981 6.7981 6.9757 6.9757 7.1826 7.1826 7.8358 7.8358 15.2507 15.2507 15.2943 15.2943 15.7000 15.7000 16.4214 16.4214 17.8336 17.8336 k = 0.4651 0.2685-0.0000 ( 3478 PWs) bands (ev): -15.7969 -15.7969 -15.5029 -15.5029 -13.2183 -13.2183 -12.9762 -12.9762 -11.8097 -11.8097 -11.5367 -11.5367 -2.7357 -2.7357 -2.1220 -2.1220 -1.2873 -1.2873 -0.3920 -0.3920 -0.2561 -0.2561 -0.1194 -0.1194 5.1412 5.1412 5.6719 5.6719 5.7616 5.7616 5.9285 5.9285 6.1048 6.1048 6.3584 6.3584 6.4474 6.4474 6.6118 6.6118 6.8070 6.8070 6.9619 6.9619 7.1904 7.1904 7.8343 7.8343 15.2375 15.2375 15.2999 15.2999 15.6817 15.6817 16.4297 16.4297 17.8433 17.8433 k = 0.4767 0.2752-0.0000 ( 3486 PWs) bands (ev): -15.7896 -15.7896 -15.5050 -15.5050 -13.2199 -13.2199 -12.9820 -12.9820 -11.8111 -11.8111 -11.5363 -11.5363 -2.7349 -2.7349 -2.1227 -2.1227 -1.2885 -1.2885 -0.3811 -0.3811 -0.2637 -0.2637 -0.1240 -0.1240 5.1379 5.1379 5.6759 5.6759 5.7741 5.7741 5.9231 5.9231 6.1216 6.1216 6.3571 6.3571 6.4500 6.4500 6.6027 6.6027 6.8132 6.8132 6.9519 6.9519 7.1960 7.1960 7.8332 7.8332 15.2278 15.2278 15.3040 15.3040 15.6685 15.6685 16.4356 16.4356 17.8505 17.8505 k = 0.4884 0.2820-0.0000 ( 3486 PWs) bands (ev): -15.7852 -15.7852 -15.5063 -15.5063 -13.2209 -13.2209 -12.9855 -12.9855 -11.8119 -11.8119 -11.5361 -11.5361 -2.7344 -2.7344 -2.1231 -2.1231 -1.2893 -1.2893 -0.3737 -0.3737 -0.2691 -0.2691 -0.1268 -0.1268 5.1358 5.1358 5.6784 5.6784 5.7821 5.7821 5.9192 5.9192 6.1323 6.1323 6.3562 6.3562 6.4514 6.4514 6.5971 6.5971 6.8168 6.8168 6.9459 6.9459 7.1995 7.1995 7.8326 7.8326 15.2220 15.2220 15.3065 15.3065 15.6605 15.6605 16.4392 16.4392 17.8551 17.8551 k = 0.5000 0.2887-0.0000 ( 3502 PWs) bands (ev): -15.7836 -15.7836 -15.5068 -15.5068 -13.2212 -13.2212 -12.9867 -12.9867 -11.8122 -11.8122 -11.5361 -11.5361 -2.7343 -2.7343 -2.1232 -2.1232 -1.2896 -1.2896 -0.3710 -0.3710 -0.2711 -0.2711 -0.1277 -0.1277 5.1351 5.1351 5.6793 5.6793 5.7849 5.7849 5.9178 5.9178 6.1359 6.1359 6.3560 6.3560 6.4518 6.4518 6.5951 6.5951 6.8179 6.8179 6.9439 6.9439 7.2006 7.2006 7.8323 7.8323 15.2200 15.2200 15.3073 15.3073 15.6578 15.6578 16.4404 16.4404 17.8566 17.8566 k = 0.5000 0.2887-0.0000 ( 3502 PWs) bands (ev): -15.7836 -15.7836 -15.5068 -15.5068 -13.2212 -13.2212 -12.9867 -12.9867 -11.8122 -11.8122 -11.5361 -11.5361 -2.7343 -2.7343 -2.1232 -2.1232 -1.2896 -1.2896 -0.3710 -0.3710 -0.2711 -0.2711 -0.1277 -0.1277 5.1351 5.1351 5.6793 5.6793 5.7849 5.7849 5.9178 5.9178 6.1359 6.1359 6.3560 6.3560 6.4518 6.4518 6.5951 6.5951 6.8179 6.8179 6.9439 6.9439 7.2006 7.2006 7.8323 7.8323 15.2200 15.2200 15.3073 15.3073 15.6578 15.6578 16.4404 16.4404 17.8566 17.8566 k = 0.4933 0.3002-0.0000 ( 3498 PWs) bands (ev): -15.7833 -15.7833 -15.5068 -15.5068 -13.2212 -13.2212 -12.9871 -12.9871 -11.8125 -11.8125 -11.5361 -11.5361 -2.7338 -2.7338 -2.1236 -2.1236 -1.2885 -1.2885 -0.3755 -0.3755 -0.2694 -0.2694 -0.1258 -0.1258 5.1343 5.1343 5.6786 5.6786 5.7828 5.7828 5.9174 5.9174 6.1378 6.1378 6.3578 6.3578 6.4534 6.4534 6.5949 6.5949 6.8185 6.8185 6.9445 6.9445 7.2001 7.2001 7.8322 7.8322 15.1553 15.1553 15.3735 15.3735 15.6592 15.6592 16.4404 16.4404 17.8468 17.8468 k = 0.4867 0.3118-0.0000 ( 3490 PWs) bands (ev): -15.7821 -15.7821 -15.5069 -15.5069 -13.2211 -13.2211 -12.9883 -12.9883 -11.8134 -11.8134 -11.5360 -11.5360 -2.7325 -2.7325 -2.1247 -2.1247 -1.2855 -1.2855 -0.3877 -0.3877 -0.2659 -0.2659 -0.1203 -0.1203 5.1319 5.1319 5.6767 5.6767 5.7767 5.7767 5.9162 5.9162 6.1434 6.1434 6.3633 6.3633 6.4580 6.4580 6.5941 6.5941 6.8202 6.8202 6.9462 6.9462 7.1986 7.1986 7.8317 7.8317 15.0623 15.0623 15.4710 15.4710 15.6633 15.6633 16.4402 16.4402 17.8185 17.8185 k = 0.4800 0.3233-0.0000 ( 3484 PWs) bands (ev): -15.7802 -15.7802 -15.5071 -15.5071 -13.2208 -13.2208 -12.9902 -12.9902 -11.8148 -11.8148 -11.5359 -11.5359 -2.7304 -2.7304 -2.1266 -2.1266 -1.2804 -1.2804 -0.4051 -0.4051 -0.2628 -0.2628 -0.1111 -0.1111 5.1282 5.1282 5.6731 5.6731 5.7672 5.7672 5.9143 5.9143 6.1524 6.1524 6.3723 6.3723 6.4652 6.4652 6.5932 6.5932 6.8229 6.8229 6.9491 6.9491 7.1961 7.1961 7.8309 7.8309 14.9683 14.9683 15.5723 15.5723 15.6701 15.6701 16.4399 16.4399 17.7745 17.7745 k = 0.4733 0.3349-0.0000 ( 3491 PWs) bands (ev): -15.7775 -15.7775 -15.5074 -15.5074 -13.2206 -13.2206 -12.9929 -12.9929 -11.8167 -11.8167 -11.5357 -11.5357 -2.7274 -2.7274 -2.1292 -2.1292 -1.2734 -1.2734 -0.4254 -0.4254 -0.2618 -0.2618 -0.0989 -0.0989 5.1233 5.1233 5.6676 5.6676 5.7552 5.7552 5.9119 5.9119 6.1642 6.1642 6.3846 6.3846 6.4743 6.4743 6.5923 6.5923 6.8267 6.8267 6.9529 6.9529 7.1927 7.1927 7.8299 7.8299 14.8758 14.8758 15.6738 15.6738 15.6810 15.6810 16.4395 16.4395 17.7182 17.7182 k = 0.4667 0.3464-0.0000 ( 3499 PWs) bands (ev): -15.7741 -15.7741 -15.5079 -15.5079 -13.2202 -13.2202 -12.9963 -12.9963 -11.8191 -11.8191 -11.5356 -11.5356 -2.7237 -2.7237 -2.1324 -2.1324 -1.2645 -1.2645 -0.4474 -0.4474 -0.2634 -0.2634 -0.0843 -0.0843 5.1176 5.1176 5.6592 5.6592 5.7423 5.7423 5.9090 5.9090 6.1785 6.1785 6.4000 6.4000 6.4842 6.4842 6.5921 6.5921 6.8317 6.8317 6.9578 6.9578 7.1882 7.1882 7.8285 7.8285 14.7855 14.7855 15.6916 15.6916 15.7791 15.7791 16.4389 16.4389 17.6528 17.6528 k = 0.4600 0.3580-0.0000 ( 3507 PWs) bands (ev): -15.7700 -15.7700 -15.5084 -15.5084 -13.2197 -13.2197 -13.0005 -13.0005 -11.8220 -11.8220 -11.5354 -11.5354 -2.7192 -2.7192 -2.1362 -2.1362 -1.2538 -1.2538 -0.4703 -0.4703 -0.2676 -0.2676 -0.0682 -0.0682 5.1114 5.1114 5.6470 5.6470 5.7300 5.7300 5.9057 5.9057 6.1948 6.1948 6.4182 6.4182 6.4934 6.4934 6.5937 6.5937 6.8377 6.8377 6.9635 6.9635 7.1828 7.1828 7.8269 7.8269 14.6976 14.6976 15.7063 15.7063 15.8831 15.8831 16.4383 16.4383 17.5809 17.5809 k = 0.4533 0.3695-0.0000 ( 3509 PWs) bands (ev): -15.7652 -15.7652 -15.5092 -15.5092 -13.2191 -13.2191 -13.0054 -13.0054 -11.8253 -11.8253 -11.5351 -11.5351 -2.7141 -2.7141 -2.1406 -2.1406 -1.2414 -1.2414 -0.4935 -0.4935 -0.2740 -0.2740 -0.0513 -0.0513 5.1052 5.1052 5.6304 5.6304 5.7197 5.7197 5.9021 5.9021 6.2125 6.2125 6.4388 6.4388 6.5004 6.5004 6.5985 6.5985 6.8448 6.8448 6.9699 6.9699 7.1765 7.1765 7.8251 7.8251 14.6125 14.6125 15.7235 15.7235 15.9870 15.9870 16.4375 16.4375 17.5046 17.5046 k = 0.4467 0.3811-0.0000 ( 3503 PWs) bands (ev): -15.7597 -15.7597 -15.5101 -15.5101 -13.2184 -13.2184 -13.0109 -13.0109 -11.8290 -11.8290 -11.5348 -11.5348 -2.7084 -2.7084 -2.1454 -2.1454 -1.2274 -1.2274 -0.5167 -0.5167 -0.2822 -0.2822 -0.0342 -0.0342 5.0994 5.0994 5.6096 5.6096 5.7119 5.7119 5.8982 5.8982 6.2313 6.2313 6.4613 6.4613 6.5038 6.5038 6.6074 6.6074 6.8529 6.8529 6.9770 6.9770 7.1693 7.1693 7.8230 7.8230 14.5305 14.5305 15.7431 15.7431 16.0907 16.0907 16.4367 16.4367 17.4253 17.4253 k = 0.4400 0.3926-0.0000 ( 3503 PWs) bands (ev): -15.7535 -15.7535 -15.5112 -15.5112 -13.2175 -13.2175 -13.0170 -13.0170 -11.8329 -11.8329 -11.5345 -11.5345 -2.7022 -2.7022 -2.1506 -2.1506 -1.2121 -1.2121 -0.5395 -0.5395 -0.2920 -0.2920 -0.0176 -0.0176 5.0943 5.0943 5.5853 5.5853 5.7063 5.7063 5.8938 5.8938 6.2507 6.2507 6.4836 6.4836 6.5050 6.5050 6.6204 6.6204 6.8621 6.8621 6.9845 6.9845 7.1612 7.1612 7.8208 7.8208 14.4518 14.4518 15.7651 15.7651 16.1935 16.1935 16.4359 16.4359 17.3444 17.3444 k = 0.4333 0.4041-0.0000 ( 3503 PWs) bands (ev): -15.7466 -15.7466 -15.5126 -15.5126 -13.2165 -13.2165 -13.0238 -13.0238 -11.8371 -11.8371 -11.5342 -11.5342 -2.6956 -2.6956 -2.1561 -2.1561 -1.1956 -1.1956 -0.5617 -0.5617 -0.3031 -0.3031 -0.0016 -0.0016 5.0902 5.0902 5.5587 5.5587 5.7025 5.7025 5.8891 5.8891 6.2705 6.2705 6.4920 6.4920 6.5183 6.5183 6.6366 6.6366 6.8721 6.8721 6.9923 6.9923 7.1523 7.1523 7.8185 7.8185 14.3766 14.3766 15.7892 15.7892 16.2948 16.2948 16.4356 16.4356 17.2628 17.2628 k = 0.4267 0.4157-0.0000 ( 3501 PWs) bands (ev): -15.7392 -15.7392 -15.5143 -15.5143 -13.2152 -13.2152 -13.0311 -13.0311 -11.8415 -11.8415 -11.5339 -11.5339 -2.6887 -2.6887 -2.1618 -2.1618 -1.1781 -1.1781 -0.5830 -0.5830 -0.3152 -0.3152 0.0134 0.0134 5.0873 5.0873 5.5305 5.5305 5.7002 5.7002 5.8841 5.8841 6.2903 6.2903 6.4862 6.4862 6.5441 6.5441 6.6549 6.6549 6.8829 6.8829 7.0002 7.0002 7.1426 7.1426 7.8160 7.8160 14.3051 14.3051 15.8154 15.8154 16.3895 16.3895 16.4404 16.4404 17.1814 17.1814 k = 0.4200 0.4272-0.0000 ( 3501 PWs) bands (ev): -15.7312 -15.7312 -15.5164 -15.5164 -13.2138 -13.2138 -13.0389 -13.0389 -11.8459 -11.8459 -11.5335 -11.5335 -2.6816 -2.6816 -2.1677 -2.1677 -1.1598 -1.1598 -0.6035 -0.6035 -0.3280 -0.3280 0.0273 0.0273 5.0860 5.0860 5.5015 5.5015 5.6989 5.6989 5.8786 5.8786 6.3098 6.3098 6.4771 6.4771 6.5724 6.5724 6.6742 6.6742 6.8943 6.8943 7.0079 7.0079 7.1322 7.1322 7.8135 7.8135 14.2376 14.2376 15.8436 15.8436 16.4240 16.4240 16.5038 16.5038 17.1008 17.1008 k = 0.4133 0.4388-0.0000 ( 3493 PWs) bands (ev): -15.7226 -15.7226 -15.5188 -15.5188 -13.2121 -13.2121 -13.0471 -13.0471 -11.8504 -11.8504 -11.5331 -11.5331 -2.6743 -2.6743 -2.1736 -2.1736 -1.1410 -1.1410 -0.6228 -0.6228 -0.3413 -0.3413 0.0398 0.0398 5.0863 5.0863 5.4722 5.4722 5.6987 5.6987 5.8727 5.8727 6.3287 6.3287 6.4664 6.4664 6.6017 6.6017 6.6940 6.6940 6.9063 6.9063 7.0153 7.0153 7.1211 7.1211 7.8110 7.8110 14.1742 14.1742 15.8734 15.8734 16.4248 16.4248 16.5988 16.5988 17.0217 17.0217 k = 0.4067 0.4503-0.0000 ( 3493 PWs) bands (ev): -15.7136 -15.7136 -15.5217 -15.5217 -13.2101 -13.2101 -13.0558 -13.0558 -11.8549 -11.8549 -11.5327 -11.5327 -2.6671 -2.6671 -2.1795 -2.1795 -1.1220 -1.1220 -0.6408 -0.6408 -0.3548 -0.3548 0.0509 0.0509 5.0884 5.0884 5.4429 5.4429 5.6995 5.6995 5.8665 5.8665 6.3468 6.3468 6.4548 6.4548 6.6312 6.6312 6.7138 6.7138 6.9186 6.9186 7.0222 7.0222 7.1096 7.1096 7.8084 7.8084 14.1152 14.1152 15.9049 15.9049 16.4233 16.4233 16.6936 16.6936 16.9448 16.9448 k = 0.4000 0.4619-0.0000 ( 3493 PWs) bands (ev): -15.7040 -15.7040 -15.5250 -15.5250 -13.2079 -13.2079 -13.0647 -13.0647 -11.8592 -11.8592 -11.5324 -11.5324 -2.6601 -2.6601 -2.1852 -2.1852 -1.1030 -1.1030 -0.6575 -0.6575 -0.3684 -0.3684 0.0605 0.0605 5.0923 5.0923 5.4141 5.4141 5.7011 5.7011 5.8599 5.8599 6.3638 6.3638 6.4428 6.4428 6.6606 6.6606 6.7332 6.7332 6.9310 6.9310 7.0283 7.0283 7.0978 7.0978 7.8059 7.8059 14.0606 14.0606 15.9377 15.9377 16.4211 16.4211 16.7848 16.7848 16.8719 16.8719 k = 0.3933 0.4734-0.0000 ( 3493 PWs) bands (ev): -15.6941 -15.6941 -15.5289 -15.5289 -13.2053 -13.2053 -13.0740 -13.0740 -11.8634 -11.8634 -11.5320 -11.5320 -2.6532 -2.6532 -2.1907 -2.1907 -1.0845 -1.0845 -0.6726 -0.6726 -0.3816 -0.3816 0.0688 0.0688 5.0978 5.0978 5.3861 5.3861 5.7036 5.7036 5.8529 5.8529 6.3791 6.3791 6.4312 6.4312 6.6895 6.6895 6.7521 6.7521 6.9433 6.9433 7.0330 7.0330 7.0862 7.0862 7.8036 7.8036 14.0107 14.0107 15.9717 15.9717 16.4186 16.4186 16.7937 16.7937 16.8816 16.8816 k = 0.3867 0.4850-0.0000 ( 3497 PWs) bands (ev): -15.6838 -15.6838 -15.5334 -15.5334 -13.2023 -13.2023 -13.0834 -13.0834 -11.8673 -11.8673 -11.5317 -11.5317 -2.6467 -2.6467 -2.1959 -2.1959 -1.0668 -1.0668 -0.6862 -0.6862 -0.3943 -0.3943 0.0756 0.0756 5.1050 5.1050 5.3592 5.3592 5.7070 5.7070 5.8456 5.8456 6.3906 6.3906 6.4223 6.4223 6.7172 6.7172 6.7705 6.7705 6.9550 6.9550 7.0354 7.0354 7.0757 7.0757 7.8013 7.8013 13.9657 13.9657 16.0065 16.0065 16.4159 16.4159 16.7270 16.7270 16.9674 16.9674 k = 0.3800 0.4965-0.0000 ( 3493 PWs) bands (ev): -15.6732 -15.6732 -15.5385 -15.5385 -13.1989 -13.1989 -13.0930 -13.0930 -11.8710 -11.8710 -11.5314 -11.5314 -2.6407 -2.6407 -2.2007 -2.2007 -1.0502 -1.0502 -0.6980 -0.6980 -0.4062 -0.4062 0.0810 0.0810 5.1135 5.1135 5.3337 5.3337 5.7111 5.7111 5.8381 5.8381 6.3922 6.3922 6.4223 6.4223 6.7429 6.7429 6.7889 6.7889 6.9659 6.9659 7.0339 7.0339 7.0680 7.0680 7.7992 7.7992 13.9257 13.9257 16.0420 16.0420 16.4129 16.4129 16.6624 16.6624 17.0516 17.0516 k = 0.3733 0.5081-0.0000 ( 3511 PWs) bands (ev): -15.6624 -15.6624 -15.5443 -15.5443 -13.1950 -13.1950 -13.1027 -13.1027 -11.8743 -11.8743 -11.5311 -11.5311 -2.6352 -2.6352 -2.2050 -2.2050 -1.0351 -1.0351 -0.7082 -0.7082 -0.4170 -0.4170 0.0852 0.0852 5.1232 5.1232 5.3098 5.3098 5.7159 5.7159 5.8303 5.8303 6.3847 6.3847 6.4307 6.4307 6.7655 6.7655 6.8078 6.8078 6.9753 6.9753 7.0279 7.0279 7.0643 7.0643 7.7973 7.7973 13.8908 13.8908 16.0776 16.0776 16.4097 16.4097 16.6018 16.6018 17.1324 17.1324 k = 0.3667 0.5196-0.0000 ( 3507 PWs) bands (ev): -15.6513 -15.6513 -15.5507 -15.5507 -13.1906 -13.1906 -13.1123 -13.1123 -11.8771 -11.8771 -11.5308 -11.5308 -2.6304 -2.6304 -2.2088 -2.2088 -1.0219 -1.0219 -0.7166 -0.7166 -0.4264 -0.4264 0.0883 0.0883 5.1335 5.1335 5.2881 5.2881 5.7214 5.7214 5.8224 5.8224 6.3750 6.3750 6.4407 6.4407 6.7841 6.7841 6.8279 6.8279 6.9814 6.9814 7.0201 7.0201 7.0632 7.0632 7.7956 7.7956 13.8611 13.8611 16.1129 16.1129 16.4064 16.4064 16.5460 16.5460 17.2094 17.2094 k = 0.3600 0.5312-0.0000 ( 3509 PWs) bands (ev): -15.6401 -15.6401 -15.5580 -15.5580 -13.1856 -13.1856 -13.1217 -13.1217 -11.8796 -11.8796 -11.5306 -11.5306 -2.6264 -2.6264 -2.2121 -2.2121 -1.0109 -1.0109 -0.7233 -0.7233 -0.4343 -0.4343 0.0904 0.0904 5.1440 5.1440 5.2687 5.2687 5.7273 5.7273 5.8145 5.8145 6.3658 6.3658 6.4498 6.4498 6.7983 6.7983 6.8489 6.8489 6.9807 6.9807 7.0159 7.0159 7.0628 7.0628 7.7941 7.7941 13.8368 13.8368 16.1472 16.1472 16.4030 16.4030 16.4956 16.4956 17.2822 17.2822 k = 0.3533 0.5427-0.0000 ( 3509 PWs) bands (ev): -15.6289 -15.6289 -15.5660 -15.5660 -13.1801 -13.1801 -13.1310 -13.1310 -11.8815 -11.8815 -11.5304 -11.5304 -2.6231 -2.6231 -2.2146 -2.2146 -1.0023 -1.0023 -0.7284 -0.7284 -0.4404 -0.4404 0.0917 0.0917 5.1540 5.1540 5.2523 5.2523 5.7335 5.7335 5.8068 5.8068 6.3579 6.3579 6.4574 6.4574 6.8088 6.8088 6.8700 6.8700 6.9719 6.9719 7.0175 7.0175 7.0622 7.0622 7.7930 7.7930 13.8178 13.8178 16.1793 16.1793 16.3995 16.3995 16.4520 16.4520 17.3505 17.3505 k = 0.3467 0.5543-0.0000 ( 3509 PWs) bands (ev): -15.6176 -15.6176 -15.5749 -15.5749 -13.1741 -13.1741 -13.1399 -13.1399 -11.8829 -11.8829 -11.5302 -11.5302 -2.6208 -2.6208 -2.2165 -2.2165 -0.9961 -0.9961 -0.7319 -0.7319 -0.4447 -0.4447 0.0924 0.0924 5.1623 5.1623 5.2398 5.2398 5.7393 5.7393 5.7999 5.7999 6.3518 6.3518 6.4631 6.4631 6.8160 6.8160 6.8903 6.8903 6.9587 6.9587 7.0215 7.0215 7.0611 7.0611 7.7921 7.7921 13.8043 13.8043 16.2071 16.2071 16.3958 16.3958 16.4172 16.4172 17.4135 17.4135 k = 0.3400 0.5658-0.0000 ( 3509 PWs) bands (ev): -15.6063 -15.6063 -15.5846 -15.5846 -13.1679 -13.1679 -13.1479 -13.1479 -11.8838 -11.8838 -11.5301 -11.5301 -2.6194 -2.6194 -2.2176 -2.2176 -0.9925 -0.9925 -0.7339 -0.7339 -0.4472 -0.4472 0.0927 0.0927 5.1676 5.1676 5.2321 5.2321 5.7440 5.7440 5.7947 5.7947 6.3479 6.3479 6.4667 6.4667 6.8203 6.8203 6.9088 6.9088 6.9440 6.9440 7.0250 7.0250 7.0598 7.0598 7.7916 7.7916 13.7962 13.7962 16.2267 16.2267 16.3910 16.3910 16.3960 16.3960 17.4691 17.4691 k = 0.3333 0.5774-0.0000 ( 3501 PWs) bands (ev): -15.5954 -15.5954 -15.5950 -15.5950 -13.1640 -13.1640 -13.1524 -13.1524 -11.8840 -11.8840 -11.5301 -11.5301 -2.6189 -2.6189 -2.2180 -2.2180 -0.9913 -0.9913 -0.7345 -0.7345 -0.4480 -0.4480 0.0928 0.0928 5.1693 5.1693 5.2297 5.2297 5.7459 5.7459 5.7926 5.7926 6.3465 6.3465 6.4680 6.4680 6.8217 6.8217 6.9212 6.9212 6.9329 6.9329 7.0265 7.0265 7.0592 7.0592 7.7914 7.7914 13.7935 13.7935 16.2335 16.2335 16.3868 16.3868 16.3913 16.3913 17.5009 17.5009 k = 0.3333 0.5774-0.0000 ( 3501 PWs) bands (ev): -15.5954 -15.5954 -15.5950 -15.5950 -13.1640 -13.1640 -13.1524 -13.1524 -11.8840 -11.8840 -11.5301 -11.5301 -2.6189 -2.6189 -2.2180 -2.2180 -0.9913 -0.9913 -0.7345 -0.7345 -0.4480 -0.4480 0.0928 0.0928 5.1693 5.1693 5.2297 5.2297 5.7459 5.7459 5.7926 5.7926 6.3465 6.3465 6.4680 6.4680 6.8217 6.8217 6.9212 6.9212 6.9329 6.9329 7.0265 7.0265 7.0592 7.0592 7.7914 7.7914 13.7935 13.7935 16.2335 16.2335 16.3868 16.3868 16.3913 16.3913 17.5009 17.5009 k = 0.3267 0.5658-0.0000 ( 3505 PWs) bands (ev): -15.6067 -15.6067 -15.5843 -15.5843 -13.1680 -13.1680 -13.1477 -13.1477 -11.8838 -11.8838 -11.5301 -11.5301 -2.6194 -2.6194 -2.2176 -2.2176 -0.9924 -0.9924 -0.7339 -0.7339 -0.4472 -0.4472 0.0928 0.0928 5.1682 5.1682 5.2314 5.2314 5.7438 5.7438 5.7948 5.7948 6.3480 6.3480 6.4667 6.4667 6.8203 6.8203 6.9097 6.9097 6.9432 6.9432 7.0248 7.0248 7.0601 7.0601 7.7916 7.7916 13.7961 13.7961 16.2282 16.2282 16.3851 16.3851 16.4004 16.4004 17.4712 17.4712 k = 0.3200 0.5543-0.0000 ( 3509 PWs) bands (ev): -15.6191 -15.6191 -15.5736 -15.5736 -13.1745 -13.1745 -13.1391 -13.1391 -11.8829 -11.8829 -11.5302 -11.5302 -2.6208 -2.6208 -2.2165 -2.2165 -0.9956 -0.9956 -0.7321 -0.7321 -0.4453 -0.4453 0.0929 0.0929 5.1665 5.1665 5.2349 5.2349 5.7384 5.7384 5.8008 5.8008 6.3524 6.3524 6.4625 6.4625 6.8161 6.8161 6.8936 6.8936 6.9551 6.9551 7.0198 7.0198 7.0631 7.0631 7.7922 7.7922 13.8041 13.8041 16.2167 16.2167 16.3819 16.3819 16.4212 16.4212 17.4226 17.4226 k = 0.3133 0.5427-0.0000 ( 3509 PWs) bands (ev): -15.6324 -15.6324 -15.5632 -15.5632 -13.1810 -13.1810 -13.1291 -13.1291 -11.8814 -11.8814 -11.5304 -11.5304 -2.6231 -2.6231 -2.2146 -2.2146 -1.0007 -1.0007 -0.7293 -0.7293 -0.4423 -0.4423 0.0933 0.0933 5.1655 5.1655 5.2384 5.2384 5.7307 5.7307 5.8093 5.8093 6.3599 6.3599 6.4554 6.4554 6.8091 6.8091 6.8772 6.8772 6.9638 6.9638 7.0128 7.0128 7.0677 7.0677 7.7931 7.7931 13.8172 13.8172 16.2045 16.2045 16.3785 16.3785 16.4466 16.4466 17.3711 17.3711 k = 0.3067 0.5312-0.0000 ( 3507 PWs) bands (ev): -15.6466 -15.6466 -15.5532 -15.5532 -13.1869 -13.1869 -13.1181 -13.1181 -11.8793 -11.8793 -11.5306 -11.5306 -2.6263 -2.6263 -2.2121 -2.2121 -1.0073 -1.0073 -0.7255 -0.7255 -0.4385 -0.4385 0.0940 0.0940 5.1664 5.1664 5.2409 5.2409 5.7220 5.7220 5.8192 5.8192 6.3704 6.3704 6.4454 6.4454 6.7995 6.7995 6.8606 6.8606 6.9671 6.9671 7.0063 7.0063 7.0734 7.0734 7.7944 7.7944 13.8353 13.8353 16.1944 16.1944 16.3752 16.3752 16.4736 16.4736 17.3186 17.3186 k = 0.3000 0.5196-0.0000 ( 3507 PWs) bands (ev): -15.6616 -15.6616 -15.5437 -15.5437 -13.1920 -13.1920 -13.1061 -13.1061 -11.8767 -11.8767 -11.5310 -11.5310 -2.6303 -2.6303 -2.2089 -2.2089 -1.0152 -1.0152 -0.7208 -0.7208 -0.4341 -0.4341 0.0952 0.0952 5.1693 5.1693 5.2418 5.2418 5.7125 5.7125 5.8300 5.8300 6.3831 6.3831 6.4327 6.4327 6.7877 6.7877 6.8438 6.8438 6.9619 6.9619 7.0036 7.0036 7.0802 7.0802 7.7961 7.7961 13.8582 13.8582 16.1876 16.1876 16.3720 16.3720 16.5006 16.5006 17.2653 17.2653 k = 0.2933 0.5081-0.0000 ( 3507 PWs) bands (ev): -15.6775 -15.6775 -15.5346 -15.5346 -13.1963 -13.1963 -13.0931 -13.0931 -11.8735 -11.8735 -11.5314 -11.5314 -2.6350 -2.6350 -2.2051 -2.2051 -1.0242 -1.0242 -0.7155 -0.7155 -0.4293 -0.4293 0.0967 0.0967 5.1746 5.1746 5.2410 5.2410 5.7027 5.7027 5.8414 5.8414 6.3938 6.3938 6.4213 6.4213 6.7739 6.7739 6.8267 6.8267 6.9489 6.9489 7.0042 7.0042 7.0880 7.0880 7.7982 7.7982 13.8857 13.8857 16.1845 16.1845 16.3689 16.3689 16.5271 16.5271 17.2113 17.2113 k = 0.2867 0.4965-0.0000 ( 3507 PWs) bands (ev): -15.6943 -15.6943 -15.5261 -15.5261 -13.1997 -13.1997 -13.0793 -13.0793 -11.8697 -11.8697 -11.5319 -11.5319 -2.6403 -2.6403 -2.2008 -2.2008 -1.0341 -1.0341 -0.7096 -0.7096 -0.4239 -0.4239 0.0987 0.0987 5.1822 5.1822 5.2385 5.2385 5.6927 5.6927 5.8531 5.8531 6.3855 6.3855 6.4279 6.4279 6.7586 6.7586 6.8093 6.8093 6.9309 6.9309 7.0053 7.0053 7.0966 7.0966 7.8006 7.8006 13.9176 13.9176 16.1851 16.1851 16.3660 16.3660 16.5527 16.5527 17.1566 17.1566 k = 0.2800 0.4850-0.0000 ( 3503 PWs) bands (ev): -15.7118 -15.7118 -15.5182 -15.5182 -13.2022 -13.2022 -13.0645 -13.0645 -11.8654 -11.8654 -11.5325 -11.5325 -2.6463 -2.6463 -2.1959 -2.1959 -1.0445 -1.0445 -0.7035 -0.7035 -0.4181 -0.4181 0.1010 0.1010 5.1915 5.1915 5.2348 5.2348 5.6825 5.6825 5.8649 5.8649 6.3634 6.3634 6.4470 6.4470 6.7421 6.7421 6.7916 6.7916 6.9097 6.9097 7.0056 7.0056 7.1063 7.1063 7.8034 7.8034 13.9534 13.9534 16.1892 16.1892 16.3632 16.3632 16.5775 16.5775 17.1010 17.1010 k = 0.2733 0.4734-0.0000 ( 3501 PWs) bands (ev): -15.7301 -15.7301 -15.5110 -15.5110 -13.2037 -13.2037 -13.0488 -13.0488 -11.8606 -11.8606 -11.5331 -11.5331 -2.6527 -2.6527 -2.1906 -2.1906 -1.0554 -1.0554 -0.6972 -0.6972 -0.4115 -0.4115 0.1036 0.1036 5.2010 5.2010 5.2315 5.2315 5.6724 5.6724 5.8767 5.8767 6.3362 6.3362 6.4692 6.4692 6.7247 6.7247 6.7736 6.7736 6.8861 6.8861 7.0043 7.0043 7.1168 7.1168 7.8066 7.8066 13.9929 13.9929 16.1962 16.1962 16.3606 16.3606 16.6016 16.6016 17.0445 17.0445 k = 0.2667 0.4619-0.0000 ( 3501 PWs) bands (ev): -15.7491 -15.7491 -15.5044 -15.5044 -13.2041 -13.2041 -13.0322 -13.0322 -11.8553 -11.8553 -11.5339 -11.5339 -2.6596 -2.6596 -2.1850 -2.1850 -1.0665 -1.0665 -0.6912 -0.6912 -0.4041 -0.4041 0.1064 0.1064 5.2053 5.2053 5.2340 5.2340 5.6624 5.6624 5.8881 5.8881 6.3056 6.3056 6.4925 6.4925 6.7068 6.7068 6.7557 6.7557 6.8606 6.8606 7.0014 7.0014 7.1283 7.1283 7.8102 7.8102 14.0357 14.0357 16.2055 16.2055 16.3583 16.3583 16.6256 16.6256 16.9870 16.9870 k = 0.2600 0.4503-0.0000 ( 3501 PWs) bands (ev): -15.7687 -15.7687 -15.4986 -15.4986 -13.2034 -13.2034 -13.0148 -13.0148 -11.8496 -11.8496 -11.5347 -11.5347 -2.6667 -2.6667 -2.1790 -2.1790 -1.0778 -1.0778 -0.6855 -0.6855 -0.3957 -0.3957 0.1092 0.1092 5.2008 5.2008 5.2459 5.2459 5.6526 5.6526 5.8988 5.8988 6.2723 6.2723 6.5154 6.5154 6.6887 6.6887 6.7380 6.7380 6.8337 6.8337 6.9969 6.9969 7.1406 7.1406 7.8140 7.8140 14.0814 14.0814 16.2162 16.2162 16.3562 16.3562 16.6499 16.6499 16.9285 16.9285 k = 0.2533 0.4388-0.0000 ( 3497 PWs) bands (ev): -15.7889 -15.7889 -15.4936 -15.4936 -13.2016 -13.2016 -12.9966 -12.9966 -11.8434 -11.8434 -11.5357 -11.5357 -2.6742 -2.6742 -2.1727 -2.1727 -1.0890 -1.0890 -0.6804 -0.6804 -0.3861 -0.3861 0.1119 0.1119 5.1920 5.1920 5.2626 5.2626 5.6430 5.6430 5.9081 5.9081 6.2370 6.2370 6.5363 6.5363 6.6716 6.6716 6.7210 6.7210 6.8060 6.8060 6.9907 6.9907 7.1537 7.1537 7.8182 7.8182 14.1295 14.1295 16.2273 16.2273 16.3545 16.3545 16.6752 16.6752 16.8689 16.8689 k = 0.2467 0.4272-0.0000 ( 3495 PWs) bands (ev): -15.8097 -15.8097 -15.4893 -15.4893 -13.1986 -13.1986 -12.9777 -12.9777 -11.8369 -11.8369 -11.5367 -11.5367 -2.6818 -2.6818 -2.1662 -2.1662 -1.1000 -1.1000 -0.6761 -0.6761 -0.3752 -0.3752 0.1144 0.1144 5.1815 5.1815 5.2814 5.2814 5.6337 5.6337 5.9150 5.9150 6.2011 6.2011 6.5519 6.5519 6.6571 6.6571 6.7051 6.7051 6.7786 6.7786 6.9829 6.9829 7.1676 7.1676 7.8227 7.8227 14.1795 14.1795 16.2376 16.2376 16.3533 16.3533 16.7018 16.7018 16.8089 16.8089 k = 0.2400 0.4157-0.0000 ( 3495 PWs) bands (ev): -15.8309 -15.8309 -15.4858 -15.4858 -13.1945 -13.1945 -12.9580 -12.9580 -11.8300 -11.8300 -11.5378 -11.5378 -2.6895 -2.6895 -2.1594 -2.1594 -1.1108 -1.1108 -0.6725 -0.6725 -0.3630 -0.3630 0.1167 0.1167 5.1700 5.1700 5.3011 5.3011 5.6248 5.6248 5.9180 5.9180 6.1662 6.1662 6.5576 6.5576 6.6479 6.6479 6.6908 6.6908 6.7533 6.7533 6.9738 6.9738 7.1820 7.1820 7.8275 7.8275 14.2310 14.2310 16.2459 16.2459 16.3525 16.3525 16.7213 16.7213 16.7578 16.7578 k = 0.2333 0.4041-0.0000 ( 3491 PWs) bands (ev): -15.8526 -15.8526 -15.4831 -15.4831 -13.1894 -13.1894 -12.9377 -12.9377 -11.8227 -11.8227 -11.5390 -11.5390 -2.6973 -2.6973 -2.1525 -2.1525 -1.1213 -1.1213 -0.6697 -0.6697 -0.3493 -0.3493 0.1187 0.1187 5.1582 5.1582 5.3207 5.3207 5.6162 5.6162 5.9145 5.9145 6.1353 6.1353 6.5507 6.5507 6.6431 6.6431 6.6782 6.6782 6.7341 6.7341 6.9633 6.9633 7.1971 7.1971 7.8325 7.8325 14.2834 14.2834 16.2512 16.2512 16.3524 16.3524 16.6756 16.6756 16.7745 16.7745 k = 0.2267 0.3926-0.0000 ( 3487 PWs) bands (ev): -15.8745 -15.8745 -15.4812 -15.4812 -13.1831 -13.1831 -12.9167 -12.9167 -11.8152 -11.8152 -11.5403 -11.5403 -2.7051 -2.7051 -2.1455 -2.1455 -1.1314 -1.1314 -0.6677 -0.6677 -0.3344 -0.3344 0.1204 0.1204 5.1462 5.1462 5.3396 5.3396 5.6081 5.6081 5.9014 5.9014 6.1117 6.1117 6.5342 6.5342 6.6365 6.6365 6.6640 6.6640 6.7278 6.7278 6.9516 6.9516 7.2126 7.2126 7.8378 7.8378 14.3361 14.3361 16.2526 16.2526 16.3530 16.3530 16.6118 16.6118 16.8125 16.8125 k = 0.2200 0.3811-0.0000 ( 3487 PWs) bands (ev): -15.8968 -15.8968 -15.4801 -15.4801 -13.1757 -13.1757 -12.8953 -12.8953 -11.8074 -11.8074 -11.5416 -11.5416 -2.7129 -2.7129 -2.1384 -2.1384 -1.1411 -1.1411 -0.6664 -0.6664 -0.3183 -0.3183 0.1217 0.1217 5.1345 5.1345 5.3569 5.3569 5.6002 5.6002 5.8767 5.8767 6.0976 6.0976 6.5125 6.5125 6.6265 6.6265 6.6462 6.6462 6.7345 6.7345 6.9389 6.9389 7.2285 7.2285 7.8433 7.8433 14.3885 14.3885 16.2496 16.2496 16.3545 16.3545 16.5455 16.5455 16.8566 16.8566 k = 0.2133 0.3695-0.0000 ( 3487 PWs) bands (ev): -15.9192 -15.9192 -15.4798 -15.4798 -13.1673 -13.1673 -12.8733 -12.8733 -11.7993 -11.7993 -11.5430 -11.5430 -2.7205 -2.7205 -2.1311 -2.1311 -1.1503 -1.1503 -0.6657 -0.6657 -0.3013 -0.3013 0.1227 0.1227 5.1231 5.1231 5.3715 5.3715 5.5925 5.5925 5.8416 5.8416 6.0923 6.0923 6.4879 6.4879 6.6151 6.6151 6.6281 6.6281 6.7473 6.7473 6.9253 6.9253 7.2448 7.2448 7.8490 7.8490 14.4400 14.4400 16.2418 16.2418 16.3570 16.3570 16.4777 16.4777 16.9059 16.9059 k = 0.2067 0.3580-0.0000 ( 3485 PWs) bands (ev): -15.9417 -15.9417 -15.4802 -15.4802 -13.1578 -13.1578 -12.8510 -12.8510 -11.7911 -11.7911 -11.5445 -11.5445 -2.7280 -2.7280 -2.1239 -2.1239 -1.1589 -1.1589 -0.6655 -0.6655 -0.2835 -0.2835 0.1234 0.1234 5.1125 5.1125 5.3827 5.3827 5.5846 5.5846 5.7990 5.7990 6.0933 6.0933 6.4616 6.4616 6.6037 6.6037 6.6129 6.6129 6.7616 6.7616 6.9110 6.9110 7.2612 7.2612 7.8548 7.8548 14.4901 14.4901 16.2291 16.2291 16.3603 16.3603 16.4089 16.4089 16.9600 16.9600 k = 0.2000 0.3464-0.0000 ( 3487 PWs) bands (ev): -15.9643 -15.9643 -15.4813 -15.4813 -13.1475 -13.1475 -12.8284 -12.8284 -11.7827 -11.7827 -11.5461 -11.5461 -2.7354 -2.7354 -2.1166 -2.1166 -1.1669 -1.1669 -0.6657 -0.6657 -0.2652 -0.2652 0.1238 0.1238 5.1026 5.1026 5.3896 5.3896 5.5758 5.5758 5.7523 5.7523 6.0977 6.0977 6.4343 6.4343 6.5929 6.5929 6.6022 6.6022 6.7750 6.7750 6.8959 6.8959 7.2778 7.2778 7.8608 7.8608 14.5381 14.5381 16.2114 16.2114 16.3376 16.3376 16.3670 16.3670 17.0184 17.0184 k = 0.1933 0.3349-0.0000 ( 3479 PWs) bands (ev): -15.9869 -15.9869 -15.4831 -15.4831 -13.1362 -13.1362 -12.8055 -12.8055 -11.7741 -11.7741 -11.5477 -11.5477 -2.7425 -2.7425 -2.1092 -2.1092 -1.1744 -1.1744 -0.6662 -0.6662 -0.2466 -0.2466 0.1242 0.1242 5.0938 5.0938 5.3916 5.3916 5.5647 5.5647 5.7046 5.7046 6.1037 6.1037 6.4069 6.4069 6.5825 6.5825 6.5978 6.5978 6.7867 6.7867 6.8804 6.8804 7.2946 7.2946 7.8670 7.8670 14.5834 14.5834 16.1877 16.1877 16.2695 16.2695 16.3727 16.3727 17.0803 17.0803 k = 0.1867 0.3233-0.0000 ( 3473 PWs) bands (ev): -16.0094 -16.0094 -15.4855 -15.4855 -13.1242 -13.1242 -12.7825 -12.7825 -11.7654 -11.7654 -11.5493 -11.5493 -2.7495 -2.7495 -2.1019 -2.1019 -1.1812 -1.1812 -0.6669 -0.6669 -0.2280 -0.2280 0.1244 0.1244 5.0861 5.0861 5.3883 5.3883 5.5485 5.5485 5.6598 5.6598 6.1097 6.1097 6.3801 6.3801 6.5726 6.5726 6.6003 6.6003 6.7958 6.7958 6.8645 6.8645 7.3113 7.3113 7.8732 7.8732 14.6256 14.6256 16.1530 16.1530 16.2070 16.2070 16.3808 16.3808 17.1452 17.1452 k = 0.1800 0.3118-0.0000 ( 3473 PWs) bands (ev): -16.0317 -16.0317 -15.4885 -15.4885 -13.1114 -13.1114 -12.7594 -12.7594 -11.7567 -11.7567 -11.5510 -11.5510 -2.7562 -2.7562 -2.0946 -2.0946 -1.1873 -1.1873 -0.6677 -0.6677 -0.2096 -0.2096 0.1248 0.1248 5.0797 5.0797 5.3792 5.3792 5.5224 5.5224 5.6236 5.6236 6.1145 6.1145 6.3549 6.3549 6.5634 6.5634 6.6099 6.6099 6.8021 6.8021 6.8483 6.8483 7.3280 7.3280 7.8795 7.8795 14.6641 14.6641 16.0976 16.0976 16.1611 16.1611 16.3906 16.3906 17.2121 17.2121 k = 0.1733 0.3002-0.0000 ( 3475 PWs) bands (ev): -16.0538 -16.0538 -15.4921 -15.4921 -13.0979 -13.0979 -12.7363 -12.7363 -11.7479 -11.7479 -11.5528 -11.5528 -2.7626 -2.7626 -2.0874 -2.0874 -1.1928 -1.1928 -0.6687 -0.6687 -0.1917 -0.1917 0.1254 0.1254 5.0747 5.0747 5.3643 5.3643 5.4839 5.4839 5.5994 5.5994 6.1166 6.1166 6.3326 6.3326 6.5551 6.5551 6.6266 6.6266 6.8050 6.8050 6.8321 6.8321 7.3446 7.3446 7.8858 7.8858 14.6986 14.6986 16.0283 16.0283 16.1257 16.1257 16.4024 16.4024 17.2804 17.2804 k = 0.1667 0.2887-0.0000 ( 3471 PWs) bands (ev): -16.0755 -16.0755 -15.4961 -15.4961 -13.0839 -13.0839 -12.7133 -12.7133 -11.7391 -11.7391 -11.5545 -11.5545 -2.7688 -2.7688 -2.0802 -2.0802 -1.1976 -1.1976 -0.6697 -0.6697 -0.1745 -0.1745 0.1264 0.1264 5.0710 5.0710 5.3436 5.3436 5.4369 5.4369 5.5841 5.5841 6.1147 6.1147 6.3146 6.3146 6.5478 6.5478 6.6500 6.6500 6.8043 6.8043 6.8161 6.8161 7.3610 7.3610 7.8922 7.8922 14.7288 14.7288 15.9547 15.9547 16.0917 16.0917 16.4162 16.4162 17.3490 17.3490 k = 0.1600 0.2771-0.0000 ( 3475 PWs) bands (ev): -16.0970 -16.0970 -15.5005 -15.5005 -13.0695 -13.0695 -12.6904 -12.6904 -11.7303 -11.7303 -11.5563 -11.5563 -2.7746 -2.7746 -2.0730 -2.0730 -1.2017 -1.2017 -0.6708 -0.6708 -0.1584 -0.1584 0.1279 0.1279 5.0686 5.0686 5.3172 5.3172 5.3865 5.3865 5.5736 5.5736 6.1075 6.1075 6.3019 6.3019 6.5413 6.5413 6.6795 6.6795 6.7968 6.7968 6.8036 6.8036 7.3772 7.3772 7.8986 7.8986 14.7545 14.7545 15.8795 15.8795 16.0569 16.0569 16.4322 16.4322 17.4171 17.4171 k = 0.1533 0.2656-0.0000 ( 3467 PWs) bands (ev): -16.1180 -16.1180 -15.5053 -15.5053 -13.0546 -13.0546 -12.6678 -12.6678 -11.7216 -11.7216 -11.5581 -11.5581 -2.7802 -2.7802 -2.0660 -2.0660 -1.2052 -1.2052 -0.6718 -0.6718 -0.1434 -0.1434 0.1301 0.1301 5.0673 5.0673 5.2854 5.2854 5.3360 5.3360 5.5656 5.5656 6.0947 6.0947 6.2950 6.2950 6.5358 6.5358 6.7143 6.7143 6.7819 6.7819 6.7953 6.7953 7.3932 7.3932 7.9049 7.9049 14.7756 14.7756 15.8038 15.8038 16.0210 16.0210 16.4504 16.4504 17.4835 17.4835 k = 0.1467 0.2540-0.0000 ( 3463 PWs) bands (ev): -16.1385 -16.1385 -15.5105 -15.5105 -13.0395 -13.0395 -12.6456 -12.6456 -11.7129 -11.7129 -11.5600 -11.5600 -2.7854 -2.7854 -2.0590 -2.0590 -1.2080 -1.2080 -0.6728 -0.6728 -0.1298 -0.1298 0.1331 0.1331 5.0663 5.0663 5.2485 5.2485 5.2878 5.2878 5.5592 5.5592 6.0769 6.0769 6.2933 6.2933 6.5311 6.5311 6.7516 6.7516 6.7669 6.7669 6.7857 6.7857 7.4088 7.4088 7.9112 7.9112 14.7922 14.7922 15.7280 15.7280 15.9840 15.9840 16.4709 16.4709 17.5470 17.5470 k = 0.1400 0.2425-0.0000 ( 3463 PWs) bands (ev): -16.1585 -16.1585 -15.5158 -15.5158 -13.0242 -13.0242 -12.6237 -12.6237 -11.7043 -11.7043 -11.5618 -11.5618 -2.7904 -2.7904 -2.0522 -2.0522 -1.2102 -1.2102 -0.6738 -0.6738 -0.1178 -0.1178 0.1369 0.1369 5.0641 5.0641 5.2078 5.2078 5.2440 5.2440 5.5539 5.5539 6.0555 6.0555 6.2955 6.2955 6.5274 6.5274 6.7495 6.7495 6.7663 6.7663 6.8017 6.8017 7.4241 7.4241 7.9174 7.9174 14.8043 14.8043 15.6525 15.6525 15.9462 15.9462 16.4938 16.4938 17.6063 17.6063 k = 0.1333 0.2309-0.0000 ( 3459 PWs) bands (ev): -16.1780 -16.1780 -15.5214 -15.5214 -13.0088 -13.0088 -12.6024 -12.6024 -11.6958 -11.6958 -11.5635 -11.5635 -2.7950 -2.7950 -2.0454 -2.0454 -1.2118 -1.2118 -0.6748 -0.6748 -0.1075 -0.1075 0.1418 0.1418 5.0572 5.0572 5.1657 5.1657 5.2068 5.2068 5.5495 5.5495 6.0316 6.0316 6.3003 6.3003 6.5246 6.5246 6.7343 6.7343 6.7495 6.7495 6.8467 6.8467 7.4392 7.4392 7.9236 7.9236 14.8122 14.8122 15.5777 15.5777 15.9077 15.9077 16.5189 16.5189 17.6599 17.6599 k = 0.1267 0.2194-0.0000 ( 3455 PWs) bands (ev): -16.1968 -16.1968 -15.5271 -15.5271 -12.9934 -12.9934 -12.5816 -12.5816 -11.6875 -11.6875 -11.5653 -11.5653 -2.7993 -2.7993 -2.0389 -2.0389 -1.2129 -1.2129 -0.6756 -0.6756 -0.0989 -0.0989 0.1476 0.1476 5.0403 5.0403 5.1240 5.1240 5.1810 5.1810 5.5458 5.5458 6.0065 6.0065 6.3068 6.3068 6.5226 6.5226 6.7194 6.7194 6.7283 6.7283 6.8952 6.8952 7.4538 7.4538 7.9296 7.9296 14.8163 14.8163 15.5040 15.5040 15.8688 15.8688 16.5464 16.5464 17.7062 17.7062 k = 0.1200 0.2078-0.0000 ( 3467 PWs) bands (ev): -16.2149 -16.2149 -15.5329 -15.5329 -12.9781 -12.9781 -12.5614 -12.5614 -11.6794 -11.6794 -11.5671 -11.5671 -2.8034 -2.8034 -2.0325 -2.0325 -1.2134 -1.2134 -0.6764 -0.6764 -0.0919 -0.0919 0.1542 0.1542 5.0109 5.0109 5.0817 5.0817 5.1710 5.1710 5.5427 5.5427 5.9808 5.9808 6.3141 6.3141 6.5214 6.5214 6.7035 6.7035 6.7048 6.7048 6.9453 6.9453 7.4681 7.4681 7.9354 7.9354 14.8168 14.8168 15.4315 15.4315 15.8297 15.8297 16.5761 16.5761 17.7435 17.7435 k = 0.1133 0.1963-0.0000 ( 3463 PWs) bands (ev): -16.2323 -16.2323 -15.5387 -15.5387 -12.9630 -12.9630 -12.5420 -12.5420 -11.6715 -11.6715 -11.5688 -11.5688 -2.8071 -2.8071 -2.0262 -2.0262 -1.2135 -1.2135 -0.6771 -0.6771 -0.0865 -0.0865 0.1615 0.1615 4.9733 4.9733 5.0383 5.0383 5.1741 5.1741 5.5400 5.5400 5.9552 5.9552 6.3218 6.3218 6.5210 6.5210 6.6756 6.6756 6.6908 6.6908 6.9961 6.9961 7.4822 7.4822 7.9411 7.9411 14.8143 14.8143 15.3608 15.3608 15.7908 15.7908 16.6080 16.6080 17.7702 17.7702 k = 0.1067 0.1848-0.0000 ( 3471 PWs) bands (ev): -16.2489 -16.2489 -15.5444 -15.5444 -12.9483 -12.9483 -12.5233 -12.5233 -11.6639 -11.6639 -11.5705 -11.5705 -2.8105 -2.8105 -2.0202 -2.0202 -1.2133 -1.2133 -0.6777 -0.6777 -0.0826 -0.0826 0.1694 0.1694 4.9327 4.9327 4.9942 4.9942 5.1854 5.1854 5.5378 5.5378 5.9299 5.9299 6.3295 6.3295 6.5210 6.5210 6.6449 6.6449 6.6774 6.6774 7.0471 7.0471 7.4959 7.4959 7.9467 7.9467 14.8090 14.8090 15.2920 15.2920 15.7521 15.7521 16.6418 16.6418 17.7850 17.7850 k = 0.1000 0.1732-0.0000 ( 3475 PWs) bands (ev): -16.2647 -16.2647 -15.5501 -15.5501 -12.9339 -12.9339 -12.5054 -12.5054 -11.6565 -11.6565 -11.5721 -11.5721 -2.8137 -2.8137 -2.0144 -2.0144 -1.2126 -1.2126 -0.6782 -0.6782 -0.0799 -0.0799 0.1777 0.1777 4.8917 4.8917 4.9503 4.9503 5.2021 5.2021 5.5358 5.5358 5.9054 5.9054 6.3367 6.3367 6.5213 6.5213 6.6118 6.6118 6.6647 6.6647 7.0974 7.0974 7.5094 7.5094 7.9520 7.9520 14.8015 14.8015 15.2256 15.2256 15.7140 15.7140 16.6775 16.6775 17.7873 17.7873 k = 0.0933 0.1617-0.0000 ( 3465 PWs) bands (ev): -16.2796 -16.2796 -15.5556 -15.5556 -12.9200 -12.9200 -12.4885 -12.4885 -11.6494 -11.6494 -11.5736 -11.5736 -2.8165 -2.8165 -2.0089 -2.0089 -1.2117 -1.2117 -0.6786 -0.6786 -0.0782 -0.0782 0.1861 0.1861 4.8517 4.8517 4.9071 4.9071 5.2228 5.2228 5.5340 5.5340 5.8818 5.8818 6.3431 6.3431 6.5212 6.5212 6.5777 6.5777 6.6526 6.6526 7.1465 7.1465 7.5226 7.5226 7.9571 7.9571 14.7922 14.7922 15.1619 15.1619 15.6767 15.6767 16.7148 16.7148 17.7776 17.7776 k = 0.0867 0.1501-0.0000 ( 3469 PWs) bands (ev): -16.2937 -16.2937 -15.5610 -15.5610 -12.9067 -12.9067 -12.4725 -12.4725 -11.6426 -11.6426 -11.5751 -11.5751 -2.8191 -2.8191 -2.0036 -2.0036 -1.2105 -1.2105 -0.6788 -0.6788 -0.0774 -0.0774 0.1945 0.1945 4.8133 4.8133 4.8652 4.8652 5.2469 5.2469 5.5325 5.5325 5.8595 5.8595 6.3480 6.3480 6.5164 6.5164 6.5473 6.5473 6.6413 6.6413 7.1938 7.1938 7.5358 7.5358 7.9620 7.9620 14.7815 14.7815 15.1011 15.1011 15.6404 15.6404 16.7535 16.7535 17.7571 17.7571 k = 0.0800 0.1386-0.0000 ( 3477 PWs) bands (ev): -16.3069 -16.3069 -15.5661 -15.5661 -12.8940 -12.8940 -12.4575 -12.4575 -11.6362 -11.6362 -11.5765 -11.5765 -2.8215 -2.8215 -1.9986 -1.9986 -1.2092 -1.2092 -0.6789 -0.6789 -0.0774 -0.0774 0.2027 0.2027 4.7770 4.7770 4.8249 4.8249 5.2738 5.2738 5.5312 5.5312 5.8384 5.8384 6.3500 6.3500 6.4931 6.4931 6.5357 6.5357 6.6308 6.6308 7.2388 7.2388 7.5489 7.5489 7.9666 7.9666 14.7698 14.7698 15.0436 15.0436 15.6055 15.6055 16.7932 16.7932 17.7282 17.7282 k = 0.0733 0.1270-0.0000 ( 3469 PWs) bands (ev): -16.3191 -16.3191 -15.5710 -15.5710 -12.8820 -12.8820 -12.4435 -12.4435 -11.6302 -11.6302 -11.5778 -11.5778 -2.8236 -2.8236 -1.9940 -1.9940 -1.2078 -1.2078 -0.6788 -0.6788 -0.0779 -0.0779 0.2106 0.2106 4.7429 4.7429 4.7868 4.7868 5.3034 5.3034 5.5300 5.5300 5.8190 5.8190 6.3462 6.3462 6.4621 6.4621 6.5352 6.5352 6.6212 6.6212 7.2807 7.2807 7.5621 7.5621 7.9709 7.9709 14.7574 14.7574 14.9898 14.9898 15.5720 15.5720 16.8335 16.8335 17.6934 17.6934 k = 0.0667 0.1155-0.0000 ( 3469 PWs) bands (ev): -16.3303 -16.3303 -15.5756 -15.5756 -12.8709 -12.8709 -12.4306 -12.4306 -11.6246 -11.6246 -11.5790 -11.5790 -2.8255 -2.8255 -1.9896 -1.9896 -1.2063 -1.2063 -0.6787 -0.6787 -0.0787 -0.0787 0.2181 0.2181 4.7112 4.7112 4.7512 4.7512 5.3352 5.3352 5.5290 5.5290 5.8014 5.8014 6.3316 6.3316 6.4377 6.4377 6.5368 6.5368 6.6125 6.6125 7.3193 7.3193 7.5755 7.5755 7.9750 7.9750 14.7446 14.7446 14.9399 14.9399 15.5404 15.5404 16.8741 16.8741 17.6556 17.6556 k = 0.0600 0.1039-0.0000 ( 3477 PWs) bands (ev): -16.3406 -16.3406 -15.5798 -15.5798 -12.8606 -12.8606 -12.4188 -12.4188 -11.6195 -11.6195 -11.5802 -11.5802 -2.8271 -2.8271 -1.9856 -1.9856 -1.2049 -1.2049 -0.6785 -0.6785 -0.0799 -0.0799 0.2250 0.2250 4.6820 4.6820 4.7184 4.7184 5.3690 5.3690 5.5280 5.5280 5.7858 5.7858 6.3027 6.3027 6.4249 6.4249 6.5388 6.5388 6.6047 6.6047 7.3539 7.3539 7.5891 7.5891 7.9787 7.9787 14.7317 14.7317 14.8943 14.8943 15.5108 15.5108 16.9144 16.9144 17.6168 17.6168 k = 0.0533 0.0924-0.0000 ( 3479 PWs) bands (ev): -16.3498 -16.3498 -15.5837 -15.5837 -12.8512 -12.8512 -12.4082 -12.4082 -11.6148 -11.6148 -11.5812 -11.5812 -2.8285 -2.8285 -1.9819 -1.9819 -1.2034 -1.2034 -0.6781 -0.6781 -0.0812 -0.0812 0.2313 0.2313 4.6554 4.6554 4.6886 4.6886 5.4042 5.4042 5.5272 5.5272 5.7725 5.7725 6.2632 6.2632 6.4207 6.4207 6.5408 6.5408 6.5980 6.5980 7.3842 7.3842 7.6028 7.6028 7.9822 7.9822 14.7189 14.7189 14.8533 14.8533 15.4835 15.4835 16.9538 16.9538 17.5789 17.5789 k = 0.0467 0.0808-0.0000 ( 3479 PWs) bands (ev): -16.3580 -16.3580 -15.5872 -15.5872 -12.8427 -12.8427 -12.3988 -12.3988 -11.6105 -11.6105 -11.5821 -11.5821 -2.8298 -2.8298 -1.9787 -1.9787 -1.2021 -1.2021 -0.6778 -0.6778 -0.0826 -0.0826 0.2369 0.2369 4.6314 4.6314 4.6622 4.6622 5.4404 5.4404 5.5265 5.5265 5.7620 5.7620 6.2180 6.2180 6.4207 6.4207 6.5425 6.5425 6.5925 6.5925 7.4102 7.4102 7.6167 7.6167 7.9853 7.9853 14.7062 14.7062 14.8174 14.8174 15.4588 15.4588 16.9917 16.9917 17.5433 17.5433 k = 0.0400 0.0693-0.0000 ( 3483 PWs) bands (ev): -16.3651 -16.3651 -15.5903 -15.5903 -12.8353 -12.8353 -12.3906 -12.3906 -11.6068 -11.6068 -11.5829 -11.5829 -2.8308 -2.8308 -1.9758 -1.9758 -1.2008 -1.2008 -0.6774 -0.6774 -0.0840 -0.0840 0.2419 0.2419 4.6101 4.6101 4.6393 4.6393 5.4765 5.4765 5.5259 5.5259 5.7549 5.7549 6.1701 6.1701 6.4222 6.4222 6.5437 6.5437 6.5881 6.5881 7.4317 7.4317 7.6302 7.6302 7.9880 7.9880 14.6938 14.6938 14.7868 14.7868 15.4368 15.4368 17.0273 17.0273 17.5110 17.5110 k = 0.0333 0.0577-0.0000 ( 3487 PWs) bands (ev): -16.3712 -16.3712 -15.5929 -15.5929 -12.8290 -12.8290 -12.3836 -12.3836 -11.6037 -11.6037 -11.5836 -11.5836 -2.8317 -2.8317 -1.9734 -1.9734 -1.1997 -1.1997 -0.6770 -0.6770 -0.0853 -0.0853 0.2461 0.2461 4.5916 4.5916 4.6200 4.6200 5.5113 5.5113 5.5255 5.5255 5.7523 5.7523 6.1209 6.1209 6.4242 6.4242 6.5444 6.5444 6.5849 6.5849 7.4491 7.4491 7.6430 7.6430 7.9903 7.9903 14.6818 14.6818 14.7618 14.7618 15.4178 15.4178 17.0597 17.0597 17.4828 17.4828 k = 0.0267 0.0462-0.0000 ( 3489 PWs) bands (ev): -16.3762 -16.3762 -15.5951 -15.5951 -12.8238 -12.8238 -12.3778 -12.3778 -11.6011 -11.6011 -11.5842 -11.5842 -2.8324 -2.8324 -1.9713 -1.9713 -1.1988 -1.1988 -0.6766 -0.6766 -0.0864 -0.0864 0.2496 0.2496 4.5762 4.5762 4.6043 4.6043 5.5248 5.5248 5.5431 5.5431 5.7555 5.7555 6.0717 6.0717 6.4263 6.4263 6.5445 6.5445 6.5827 6.5827 7.4626 7.4626 7.6545 7.6545 7.9923 7.9923 14.6705 14.6705 14.7424 14.7424 15.4019 15.4019 17.0881 17.0881 17.4591 17.4591 k = 0.0200 0.0346-0.0000 ( 3495 PWs) bands (ev): -16.3800 -16.3800 -15.5968 -15.5968 -12.8197 -12.8197 -12.3733 -12.3733 -11.5990 -11.5990 -11.5847 -11.5847 -2.8329 -2.8329 -1.9698 -1.9698 -1.1981 -1.1981 -0.6763 -0.6763 -0.0873 -0.0873 0.2523 0.2523 4.5639 4.5639 4.5922 4.5922 5.5245 5.5245 5.5689 5.5689 5.7662 5.7662 6.0236 6.0236 6.4281 6.4281 6.5444 6.5444 6.5813 6.5813 7.4726 7.4726 7.6641 7.6641 7.9938 7.9938 14.6605 14.6605 14.7283 14.7283 15.3894 15.3894 17.1114 17.1114 17.4403 17.4403 k = 0.0133 0.0231-0.0000 ( 3509 PWs) bands (ev): -16.3828 -16.3828 -15.5981 -15.5981 -12.8167 -12.8167 -12.3701 -12.3701 -11.5976 -11.5976 -11.5850 -11.5850 -2.8333 -2.8333 -1.9686 -1.9686 -1.1975 -1.1975 -0.6760 -0.6760 -0.0880 -0.0880 0.2542 0.2542 4.5549 4.5549 4.5836 4.5836 5.5243 5.5243 5.5872 5.5872 5.7845 5.7845 5.9786 5.9786 6.4294 6.4294 6.5440 6.5440 6.5806 6.5806 7.4795 7.4795 7.6713 7.6713 7.9950 7.9950 14.6525 14.6525 14.7188 14.7188 15.3804 15.3804 17.1288 17.1288 17.4267 17.4267 k = 0.0067 0.0115-0.0000 ( 3509 PWs) bands (ev): -16.3845 -16.3845 -15.5988 -15.5988 -12.8150 -12.8150 -12.3682 -12.3682 -11.5967 -11.5967 -11.5852 -11.5852 -2.8335 -2.8335 -1.9679 -1.9679 -1.1972 -1.1972 -0.6759 -0.6759 -0.0885 -0.0885 0.2554 0.2554 4.5495 4.5495 4.5785 4.5785 5.5242 5.5242 5.5977 5.5977 5.8064 5.8064 5.9412 5.9412 6.4303 6.4303 6.5438 6.5438 6.5803 6.5803 7.4835 7.4835 7.6758 7.6758 7.9956 7.9956 14.6474 14.6474 14.7134 14.7134 15.3750 15.3750 17.1396 17.1396 17.4185 17.4185 k = 0.0000 0.0000 0.0000 ( 3497 PWs) bands (ev): -16.3850 -16.3850 -15.5991 -15.5991 -12.8144 -12.8144 -12.3676 -12.3676 -11.5964 -11.5964 -11.5852 -11.5852 -2.8336 -2.8336 -1.9677 -1.9677 -1.1971 -1.1971 -0.6758 -0.6758 -0.0886 -0.0886 0.2558 0.2558 4.5477 4.5477 4.5768 4.5768 5.5241 5.5241 5.6010 5.6010 5.8183 5.8183 5.9243 5.9243 6.4306 6.4306 6.5437 6.5437 6.5802 6.5802 7.4848 7.4848 7.6773 7.6773 7.9959 7.9959 14.6457 14.6457 14.7116 14.7116 15.3731 15.3731 17.1433 17.1433 17.4158 17.4158 k = 0.0000 0.0000 0.0000 ( 3497 PWs) bands (ev): -16.3850 -16.3850 -15.5991 -15.5991 -12.8144 -12.8144 -12.3676 -12.3676 -11.5964 -11.5964 -11.5852 -11.5852 -2.8336 -2.8336 -1.9677 -1.9677 -1.1971 -1.1971 -0.6758 -0.6758 -0.0886 -0.0886 0.2558 0.2558 4.5477 4.5477 4.5768 4.5768 5.5241 5.5241 5.6010 5.6010 5.8183 5.8183 5.9243 5.9243 6.4306 6.4306 6.5437 6.5437 6.5802 6.5802 7.4848 7.4848 7.6773 7.6773 7.9959 7.9959 14.6457 14.6457 14.7116 14.7116 15.3731 15.3731 17.1433 17.1433 17.4158 17.4158 k = 0.0000 0.0000 0.0133 ( 3497 PWs) bands (ev): -16.3845 -16.3845 -15.5997 -15.5997 -12.8141 -12.8141 -12.3680 -12.3680 -11.5963 -11.5963 -11.5852 -11.5852 -2.8326 -2.8326 -1.9681 -1.9681 -1.1960 -1.1960 -0.6754 -0.6754 -0.0890 -0.0890 0.2554 0.2554 4.5480 4.5480 4.5772 4.5772 5.5222 5.5222 5.5989 5.5989 5.8153 5.8153 5.9253 5.9253 6.4280 6.4280 6.5461 6.5461 6.5829 6.5829 7.4845 7.4845 7.6769 7.6769 7.9940 7.9940 14.6485 14.6485 14.7145 14.7145 15.3789 15.3789 17.1455 17.1455 17.4173 17.4173 k = 0.0000 0.0000 0.0266 ( 3491 PWs) bands (ev): -16.3830 -16.3830 -15.6016 -15.6016 -12.8135 -12.8135 -12.3691 -12.3691 -11.5962 -11.5962 -11.5850 -11.5850 -2.8295 -2.8295 -1.9691 -1.9691 -1.1927 -1.1927 -0.6741 -0.6741 -0.0903 -0.0903 0.2542 0.2542 4.5490 4.5490 4.5782 4.5782 5.5167 5.5167 5.5928 5.5928 5.8067 5.8067 5.9284 5.9284 6.4208 6.4208 6.5529 6.5529 6.5910 6.5910 7.4834 7.4834 7.6758 7.6758 7.9885 7.9885 14.6567 14.6567 14.7229 14.7229 15.3963 15.3963 17.1521 17.1521 17.4219 17.4219 k = 0.0000 0.0000 0.0399 ( 3479 PWs) bands (ev): -16.3804 -16.3804 -15.6048 -15.6048 -12.8123 -12.8123 -12.3711 -12.3711 -11.5960 -11.5960 -11.5846 -11.5846 -2.8243 -2.8243 -1.9708 -1.9708 -1.1872 -1.1872 -0.6720 -0.6720 -0.0924 -0.0924 0.2521 0.2521 4.5505 4.5505 4.5799 4.5799 5.5075 5.5075 5.5828 5.5828 5.7927 5.7927 5.9335 5.9335 6.4092 6.4092 6.5636 6.5636 6.6041 6.6041 7.4817 7.4817 7.6739 7.6739 7.9793 7.9793 14.6705 14.6705 14.7371 14.7371 15.4251 15.4251 17.1629 17.1629 17.4295 17.4295 k = 0.0000 0.0000 0.0532 ( 3491 PWs) bands (ev): -16.3767 -16.3767 -15.6092 -15.6092 -12.8107 -12.8107 -12.3738 -12.3738 -11.5957 -11.5957 -11.5842 -11.5842 -2.8171 -2.8171 -1.9732 -1.9732 -1.1795 -1.1795 -0.6690 -0.6690 -0.0953 -0.0953 0.2491 0.2491 4.5527 4.5527 4.5823 4.5823 5.4949 5.4949 5.5691 5.5691 5.7738 5.7738 5.9404 5.9404 6.3939 6.3939 6.5777 6.5777 6.6215 6.6215 7.4792 7.4792 7.6713 7.6713 7.9665 7.9665 14.6897 14.6897 14.7568 14.7568 15.4651 15.4651 17.1779 17.1779 17.4401 17.4401 k = 0.0000 0.0000 0.0665 ( 3479 PWs) bands (ev): -16.3721 -16.3721 -15.6149 -15.6149 -12.8087 -12.8087 -12.3774 -12.3774 -11.5953 -11.5953 -11.5836 -11.5836 -2.8080 -2.8080 -1.9763 -1.9763 -1.1695 -1.1695 -0.6652 -0.6652 -0.0991 -0.0991 0.2452 0.2452 4.5555 4.5555 4.5854 4.5854 5.4792 5.4792 5.5522 5.5522 5.7509 5.7509 5.9490 5.9490 6.3754 6.3754 6.5946 6.5946 6.6427 6.6427 7.4761 7.4761 7.6679 7.6679 7.9502 7.9502 14.7144 14.7144 14.7820 14.7820 15.5161 15.5161 17.1970 17.1970 17.4534 17.4534 k = 0.0000 0.0000 0.0798 ( 3473 PWs) bands (ev): -16.3664 -16.3664 -15.6218 -15.6218 -12.8061 -12.8061 -12.3816 -12.3816 -11.5948 -11.5948 -11.5830 -11.5830 -2.7970 -2.7970 -1.9802 -1.9802 -1.1574 -1.1574 -0.6605 -0.6605 -0.1037 -0.1037 0.2403 0.2403 4.5589 4.5589 4.5893 4.5893 5.4608 5.4608 5.5323 5.5323 5.7244 5.7244 5.9589 5.9589 6.3541 6.3541 6.6139 6.6139 6.6671 6.6671 7.4722 7.4722 7.6638 7.6638 7.9305 7.9305 14.7444 14.7444 14.8127 14.8127 15.5777 15.5777 17.2198 17.2198 17.4695 17.4695 k = 0.0000 0.0000 0.0931 ( 3473 PWs) bands (ev): -16.3598 -16.3598 -15.6298 -15.6298 -12.8031 -12.8031 -12.3866 -12.3866 -11.5943 -11.5943 -11.5822 -11.5822 -2.7842 -2.7842 -1.9847 -1.9847 -1.1431 -1.1431 -0.6551 -0.6551 -0.1091 -0.1091 0.2342 0.2342 4.5631 4.5631 4.5939 4.5939 5.4399 5.4399 5.5099 5.5099 5.6951 5.6951 5.9696 5.9696 6.3306 6.3306 6.6352 6.6352 6.6939 6.6939 7.4676 7.4676 7.6590 7.6590 7.9076 7.9076 14.7796 14.7796 14.8488 14.8488 15.6496 15.6496 17.2461 17.2461 17.4882 17.4882 k = 0.0000 0.0000 0.1064 ( 3461 PWs) bands (ev): -16.3521 -16.3521 -15.6391 -15.6391 -12.7996 -12.7996 -12.3923 -12.3923 -11.5937 -11.5937 -11.5814 -11.5814 -2.7696 -2.7696 -1.9900 -1.9900 -1.1265 -1.1265 -0.6488 -0.6488 -0.1152 -0.1152 0.2269 0.2269 4.5679 4.5679 4.5993 4.5993 5.4170 5.4170 5.4853 5.4853 5.6635 5.6635 5.9804 5.9804 6.3060 6.3060 6.6584 6.6584 6.7227 6.7227 7.4623 7.4623 7.6533 7.6533 7.8814 7.8814 14.8201 14.8201 14.8903 14.8903 15.7312 15.7312 17.2757 17.2757 17.5092 17.5092 k = 0.0000 0.0000 0.1197 ( 3461 PWs) bands (ev): -16.3435 -16.3435 -15.6494 -15.6494 -12.7957 -12.7957 -12.3987 -12.3987 -11.5930 -11.5930 -11.5805 -11.5805 -2.7535 -2.7535 -1.9960 -1.9960 -1.1077 -1.1077 -0.6417 -0.6417 -0.1222 -0.1222 0.2182 0.2182 4.5735 4.5735 4.6055 4.6055 5.3927 5.3927 5.4589 5.4589 5.6301 5.6301 5.9900 5.9900 6.2818 6.2818 6.6829 6.6829 6.7530 6.7530 7.4562 7.4562 7.6469 7.6469 7.8523 7.8523 14.8657 14.8657 14.9369 14.9369 15.8220 15.8220 17.3082 17.3082 17.5324 17.5324 k = 0.0000 0.0000 0.1330 ( 3467 PWs) bands (ev): -16.3340 -16.3340 -15.6609 -15.6609 -12.7912 -12.7912 -12.4058 -12.4058 -11.5922 -11.5922 -11.5795 -11.5795 -2.7358 -2.7358 -2.0028 -2.0028 -1.0868 -1.0868 -0.6339 -0.6339 -0.1299 -0.1299 0.2081 0.2081 4.5798 4.5798 4.6125 4.6125 5.3675 5.3675 5.4309 5.4309 5.5953 5.5953 5.9962 5.9962 6.2601 6.2601 6.7085 6.7085 6.7844 6.7844 7.4494 7.4494 7.6398 7.6398 7.8204 7.8204 14.9163 14.9163 14.9886 14.9886 15.9216 15.9216 17.3432 17.3432 17.5575 17.5575 k = 0.0000 0.0000 0.1463 ( 3467 PWs) bands (ev): -16.3235 -16.3235 -15.6733 -15.6733 -12.7863 -12.7863 -12.4135 -12.4135 -11.5914 -11.5914 -11.5786 -11.5786 -2.7167 -2.7167 -2.0103 -2.0103 -1.0637 -1.0637 -0.6254 -0.6254 -0.1383 -0.1383 0.1964 0.1964 4.5869 4.5869 4.6204 4.6204 5.3418 5.3418 5.4018 5.4018 5.5594 5.5594 5.9961 5.9961 6.2442 6.2442 6.7351 6.7351 6.8165 6.8165 7.4419 7.4419 7.6318 7.6318 7.7858 7.7858 14.9717 14.9717 15.0452 15.0452 16.0294 16.0294 17.3802 17.3802 17.5843 17.5843 k = 0.0000 0.0000 0.1596 ( 3467 PWs) bands (ev): -16.3121 -16.3121 -15.6868 -15.6868 -12.7808 -12.7808 -12.4219 -12.4219 -11.5905 -11.5905 -11.5776 -11.5776 -2.6964 -2.6964 -2.0186 -2.0186 -1.0384 -1.0384 -0.6161 -0.6161 -0.1475 -0.1475 0.1829 0.1829 4.5948 4.5948 4.6292 4.6292 5.3162 5.3162 5.3717 5.3717 5.5228 5.5228 5.9868 5.9868 6.2374 6.2374 6.7623 6.7623 6.8492 6.8492 7.4335 7.4335 7.6231 7.6231 7.7488 7.7488 15.0319 15.0319 15.1066 15.1066 16.1447 16.1447 17.4189 17.4189 17.6125 17.6125 k = 0.0000 0.0000 0.1729 ( 3473 PWs) bands (ev): -16.2998 -16.2998 -15.7013 -15.7013 -12.7749 -12.7749 -12.4308 -12.4308 -11.5895 -11.5895 -11.5767 -11.5767 -2.6750 -2.6750 -2.0278 -2.0278 -1.0109 -1.0109 -0.6062 -0.6062 -0.1574 -0.1574 0.1676 0.1676 4.6035 4.6035 4.6389 4.6389 5.2913 5.2913 5.3409 5.3409 5.4856 5.4856 5.9667 5.9667 6.2413 6.2413 6.7900 6.7900 6.8821 6.8821 7.4243 7.4243 7.6136 7.6136 7.7096 7.7096 15.0967 15.0967 15.1727 15.1727 16.2671 16.2671 17.4588 17.4588 17.6417 17.6417 k = 0.0000 0.0000 0.1862 ( 3473 PWs) bands (ev): -16.2867 -16.2867 -15.7166 -15.7166 -12.7685 -12.7685 -12.4402 -12.4402 -11.5885 -11.5885 -11.5758 -11.5758 -2.6525 -2.6525 -2.0377 -2.0377 -0.9814 -0.9814 -0.5955 -0.5955 -0.1679 -0.1679 0.1504 0.1504 4.6131 4.6131 4.6495 4.6495 5.2675 5.2675 5.3096 5.3096 5.4482 5.4482 5.9370 5.9370 6.2550 6.2550 6.8180 6.8180 6.9150 6.9150 7.4141 7.4141 7.6034 7.6034 7.6684 7.6684 15.1660 15.1660 15.2432 15.2432 16.3959 16.3959 17.4991 17.4991 17.6718 17.6718 k = 0.0000 0.0000 0.1995 ( 3473 PWs) bands (ev): -16.2727 -16.2727 -15.7328 -15.7328 -12.7615 -12.7615 -12.4502 -12.4502 -11.5874 -11.5874 -11.5749 -11.5749 -2.6292 -2.6292 -2.0484 -2.0484 -0.9498 -0.9498 -0.5843 -0.5843 -0.1791 -0.1791 0.1310 0.1310 4.6236 4.6236 4.6612 4.6612 5.2454 5.2454 5.2780 5.2780 5.4107 5.4107 5.9002 5.9002 6.2765 6.2765 6.8461 6.8461 6.9479 6.9479 7.4030 7.4030 7.5923 7.5923 7.6255 7.6255 15.2395 15.2395 15.3179 15.3179 16.5304 16.5304 17.5391 17.5391 17.7024 17.7024 k = 0.0000 0.0000 0.2128 ( 3456 PWs) bands (ev): -16.2579 -16.2579 -15.7497 -15.7497 -12.7540 -12.7540 -12.4606 -12.4606 -11.5863 -11.5863 -11.5740 -11.5740 -2.6052 -2.6052 -2.0600 -2.0600 -0.9162 -0.9162 -0.5724 -0.5724 -0.1908 -0.1908 0.1095 0.1095 4.6350 4.6350 4.6739 4.6739 5.2255 5.2255 5.2463 5.2463 5.3732 5.3732 5.8583 5.8583 6.3038 6.3038 6.8742 6.8742 6.9805 6.9805 7.3906 7.3906 7.5804 7.5804 7.5813 7.5813 15.3171 15.3171 15.3968 15.3968 16.6702 16.6702 17.5772 17.5772 17.7332 17.7332 k = 0.0000 0.0000 0.2261 ( 3456 PWs) bands (ev): -16.2424 -16.2424 -15.7674 -15.7674 -12.7461 -12.7461 -12.4715 -12.4715 -11.5852 -11.5852 -11.5733 -11.5733 -2.5807 -2.5807 -2.0723 -2.0723 -0.8807 -0.8807 -0.5600 -0.5600 -0.2032 -0.2032 0.0858 0.0858 4.6473 4.6473 4.6875 4.6875 5.2080 5.2080 5.2146 5.2146 5.3360 5.3360 5.8133 5.8133 6.3355 6.3355 6.9021 6.9021 7.0128 7.0128 7.3767 7.3767 7.5363 7.5363 7.5678 7.5678 15.3986 15.3986 15.4794 15.4794 16.8145 16.8145 17.6091 17.6091 17.7478 17.7478 k = 0.0000 0.0000 0.2394 ( 3456 PWs) bands (ev): -16.2262 -16.2262 -15.7857 -15.7857 -12.7377 -12.7377 -12.4827 -12.4827 -11.5840 -11.5840 -11.5726 -11.5726 -2.5557 -2.5557 -2.0856 -2.0856 -0.8434 -0.8434 -0.5470 -0.5470 -0.2160 -0.2160 0.0598 0.0598 4.6606 4.6606 4.7023 4.7023 5.1830 5.1830 5.1936 5.1936 5.2990 5.2990 5.7661 5.7661 6.3706 6.3706 6.9299 6.9299 7.0446 7.0446 7.3606 7.3606 7.4913 7.4913 7.5543 7.5543 15.4837 15.4837 15.5656 15.5656 16.9627 16.9627 17.6153 17.6153 17.6785 17.6785 k = 0.0000 0.0000 0.2527 ( 3456 PWs) bands (ev): -16.2092 -16.2092 -15.8047 -15.8047 -12.7288 -12.7288 -12.4943 -12.4943 -11.5828 -11.5828 -11.5721 -11.5721 -2.5304 -2.5304 -2.0996 -2.0996 -0.8045 -0.8045 -0.5336 -0.5336 -0.2294 -0.2294 0.0315 0.0315 4.6748 4.6748 4.7181 4.7181 5.1517 5.1517 5.1824 5.1824 5.2625 5.2625 5.7178 5.7178 6.4085 6.4085 6.9573 6.9573 7.0760 7.0760 7.3411 7.3411 7.4477 7.4477 7.5399 7.5399 15.5724 15.5724 15.6552 15.6552 17.1142 17.1142 17.5655 17.5655 17.6046 17.6046 k = 0.0000 0.0000 0.2659 ( 3450 PWs) bands (ev): -16.1917 -16.1917 -15.8241 -15.8241 -12.7195 -12.7195 -12.5062 -12.5062 -11.5817 -11.5817 -11.5716 -11.5716 -2.5049 -2.5049 -2.1145 -2.1145 -0.7639 -0.7639 -0.5197 -0.5197 -0.2432 -0.2432 0.0010 0.0010 4.6901 4.6901 4.7350 4.7350 5.1208 5.1208 5.1749 5.1749 5.2265 5.2265 5.6691 5.6691 6.4489 6.4489 6.9843 6.9843 7.1067 7.1067 7.3160 7.3160 7.4078 7.4078 7.5248 7.5248 15.6642 15.6642 15.7479 15.7479 17.2679 17.2679 17.4877 17.4877 17.5261 17.5261 k = 0.0000 0.0000 0.2792 ( 3462 PWs) bands (ev): -16.1735 -16.1735 -15.8441 -15.8441 -12.7097 -12.7097 -12.5183 -12.5183 -11.5805 -11.5805 -11.5712 -11.5712 -2.4794 -2.4794 -2.1302 -2.1302 -0.7219 -0.7219 -0.5054 -0.5054 -0.2575 -0.2575 -0.0318 -0.0318 4.7063 4.7063 4.7531 4.7531 5.0903 5.0903 5.1711 5.1711 5.1911 5.1911 5.6204 5.6204 6.4914 6.4914 7.0109 7.0109 7.1368 7.1368 7.2828 7.2828 7.3744 7.3744 7.5088 7.5088 15.7590 15.7590 15.8433 15.8433 17.4004 17.4004 17.4227 17.4227 17.4433 17.4433 k = 0.0000 0.0000 0.2925 ( 3468 PWs) bands (ev): -16.1548 -16.1548 -15.8644 -15.8644 -12.6995 -12.6995 -12.5306 -12.5306 -11.5793 -11.5793 -11.5710 -11.5710 -2.4539 -2.4539 -2.1468 -2.1468 -0.6787 -0.6787 -0.4907 -0.4907 -0.2721 -0.2721 -0.0667 -0.0667 4.7235 4.7235 4.7723 4.7723 5.0603 5.0603 5.1565 5.1565 5.1714 5.1714 5.5724 5.5724 6.5357 6.5357 7.0369 7.0369 7.1662 7.1662 7.2416 7.2416 7.3475 7.3475 7.4919 7.4919 15.8564 15.8564 15.9412 15.9412 17.3079 17.3079 17.3565 17.3565 17.5761 17.5761 k = 0.0000 0.0000 0.3058 ( 3456 PWs) bands (ev): -16.1355 -16.1355 -15.8851 -15.8851 -12.6889 -12.6889 -12.5431 -12.5431 -11.5782 -11.5782 -11.5709 -11.5709 -2.4286 -2.4286 -2.1642 -2.1642 -0.6344 -0.6344 -0.4757 -0.4757 -0.2871 -0.2871 -0.1037 -0.1037 4.7416 4.7416 4.7926 4.7926 5.0310 5.0310 5.1226 5.1226 5.1758 5.1758 5.5255 5.5255 6.5818 6.5818 7.0624 7.0624 7.1948 7.1948 7.1949 7.1949 7.3249 7.3249 7.4743 7.4743 15.9563 15.9563 16.0413 16.0413 17.2116 17.2116 17.2658 17.2658 17.7209 17.7209 k = 0.0000 0.0000 0.3191 ( 3468 PWs) bands (ev): -16.1158 -16.1158 -15.9060 -15.9060 -12.6780 -12.6780 -12.5557 -12.5557 -11.5772 -11.5772 -11.5709 -11.5709 -2.4035 -2.4035 -2.1824 -2.1824 -0.5893 -0.5893 -0.4604 -0.4604 -0.3023 -0.3023 -0.1425 -0.1425 4.7608 4.7608 4.8140 4.8140 5.0023 5.0023 5.0895 5.0895 5.1844 5.1844 5.4801 5.4801 6.6292 6.6292 7.0873 7.0873 7.1450 7.1450 7.2227 7.2227 7.3042 7.3042 7.4557 7.4557 16.0583 16.0583 16.1432 16.1432 17.1122 17.1122 17.1718 17.1718 17.8345 17.8345 k = 0.0000 0.0000 0.3324 ( 3444 PWs) bands (ev): -16.0958 -16.0958 -15.9271 -15.9271 -12.6667 -12.6667 -12.5684 -12.5684 -11.5761 -11.5761 -11.5711 -11.5711 -2.3788 -2.3788 -2.2014 -2.2014 -0.5434 -0.5434 -0.4449 -0.4449 -0.3178 -0.3178 -0.1831 -0.1831 4.7809 4.7809 4.8367 4.8367 4.9744 4.9744 5.0573 5.0573 5.1973 5.1973 5.4366 5.4366 6.6780 6.6780 7.0935 7.0935 7.1117 7.1117 7.2499 7.2499 7.2843 7.2843 7.4363 7.4363 16.1620 16.1620 16.2465 16.2465 17.0102 17.0102 17.0749 17.0749 17.8930 17.8930 k = 0.0000 0.0000 0.3457 ( 3438 PWs) bands (ev): -16.0753 -16.0753 -15.9484 -15.9484 -12.6550 -12.6550 -12.5811 -12.5811 -11.5751 -11.5751 -11.5713 -11.5713 -2.3546 -2.3546 -2.2212 -2.2212 -0.4972 -0.4972 -0.4291 -0.4291 -0.3335 -0.3335 -0.2252 -0.2252 4.8019 4.8019 4.8604 4.8604 4.9472 4.9472 5.0261 5.0261 5.2143 5.2143 5.3955 5.3955 6.7279 6.7279 7.0411 7.0411 7.1353 7.1353 7.2644 7.2644 7.2761 7.2761 7.4160 7.4160 16.2672 16.2672 16.3509 16.3509 16.9063 16.9063 16.9753 16.9753 17.9124 17.9124 k = 0.0000 0.0000 0.3590 ( 3444 PWs) bands (ev): -16.0546 -16.0546 -15.9698 -15.9698 -12.6432 -12.6432 -12.5937 -12.5937 -11.5743 -11.5743 -11.5717 -11.5717 -2.3308 -2.3308 -2.2417 -2.2417 -0.4508 -0.4508 -0.4133 -0.4133 -0.3494 -0.3494 -0.2686 -0.2686 4.8239 4.8239 4.8853 4.8853 4.9208 4.9208 4.9958 4.9958 5.2353 5.2353 5.3570 5.3570 6.7788 6.7788 6.9882 6.9882 7.1583 7.1583 7.2442 7.2442 7.3016 7.3016 7.3949 7.3949 16.3734 16.3734 16.4559 16.4559 16.8009 16.8009 16.8737 16.8737 17.9258 17.9258 k = 0.0000 0.0000 0.3723 ( 3444 PWs) bands (ev): -16.0336 -16.0336 -15.9911 -15.9911 -12.6311 -12.6311 -12.6063 -12.6063 -11.5735 -11.5735 -11.5722 -11.5722 -2.3075 -2.3075 -2.2630 -2.2630 -0.4045 -0.4045 -0.3973 -0.3973 -0.3653 -0.3653 -0.3132 -0.3132 4.8468 4.8468 4.8953 4.8953 4.9113 4.9113 4.9666 4.9666 5.2604 5.2604 5.3214 5.3214 6.8304 6.8304 6.9353 6.9353 7.1807 7.1807 7.2236 7.2236 7.3262 7.3262 7.3729 7.3729 16.4803 16.4803 16.5612 16.5612 16.6944 16.6944 16.7705 16.7705 17.9348 17.9348 k = 0.0000 0.0000 0.3856 ( 3456 PWs) bands (ev): -16.0124 -16.0124 -16.0124 -16.0124 -12.6188 -12.6188 -12.6188 -12.6188 -11.5728 -11.5728 -11.5728 -11.5728 -2.2849 -2.2849 -2.2849 -2.2849 -0.3813 -0.3813 -0.3813 -0.3813 -0.3586 -0.3586 -0.3586 -0.3586 4.8706 4.8706 4.8706 4.8706 4.9384 4.9384 4.9384 4.9384 5.2891 5.2891 5.2891 5.2891 6.8826 6.8826 6.8826 6.8826 7.2025 7.2025 7.2025 7.2025 7.3500 7.3500 7.3500 7.3500 16.5874 16.5874 16.5874 16.5874 16.6662 16.6662 16.6662 16.6662 17.9393 17.9393 k = 0.0000 0.0000 0.3856 ( 3456 PWs) bands (ev): -16.0124 -16.0124 -16.0124 -16.0124 -12.6188 -12.6188 -12.6188 -12.6188 -11.5728 -11.5728 -11.5728 -11.5728 -2.2849 -2.2849 -2.2849 -2.2849 -0.3813 -0.3813 -0.3813 -0.3813 -0.3586 -0.3586 -0.3586 -0.3586 4.8706 4.8706 4.8706 4.8706 4.9384 4.9384 4.9384 4.9384 5.2891 5.2891 5.2891 5.2891 6.8826 6.8826 6.8826 6.8826 7.2025 7.2025 7.2025 7.2025 7.3500 7.3500 7.3500 7.3500 16.5874 16.5874 16.5874 16.5874 16.6662 16.6662 16.6662 16.6662 17.9393 17.9393 k = 0.0116 0.0067 0.3856 ( 3460 PWs) bands (ev): -16.0119 -16.0119 -16.0119 -16.0119 -12.6194 -12.6194 -12.6194 -12.6194 -11.5729 -11.5729 -11.5729 -11.5729 -2.2850 -2.2850 -2.2850 -2.2850 -0.3822 -0.3822 -0.3822 -0.3822 -0.3579 -0.3579 -0.3579 -0.3579 4.8719 4.8719 4.8719 4.8719 4.9397 4.9397 4.9397 4.9397 5.2891 5.2891 5.2891 5.2891 6.8809 6.8809 6.8809 6.8809 7.2028 7.2028 7.2028 7.2028 7.3502 7.3502 7.3502 7.3502 16.5864 16.5864 16.5864 16.5864 16.6652 16.6652 16.6652 16.6652 17.9407 17.9407 k = 0.0233 0.0134 0.3856 ( 3444 PWs) bands (ev): -16.0106 -16.0106 -16.0106 -16.0106 -12.6214 -12.6214 -12.6214 -12.6214 -11.5733 -11.5733 -11.5733 -11.5733 -2.2851 -2.2851 -2.2851 -2.2851 -0.3847 -0.3847 -0.3847 -0.3847 -0.3562 -0.3562 -0.3562 -0.3562 4.8757 4.8757 4.8757 4.8757 4.9436 4.9436 4.9436 4.9436 5.2890 5.2890 5.2890 5.2890 6.8759 6.8759 6.8759 6.8759 7.2039 7.2039 7.2039 7.2039 7.3509 7.3509 7.3509 7.3509 16.5832 16.5832 16.5832 16.5832 16.6626 16.6626 16.6626 16.6626 17.9451 17.9451 k = 0.0349 0.0201 0.3856 ( 3434 PWs) bands (ev): -16.0084 -16.0084 -16.0084 -16.0084 -12.6248 -12.6248 -12.6248 -12.6248 -11.5739 -11.5739 -11.5739 -11.5739 -2.2852 -2.2852 -2.2852 -2.2852 -0.3884 -0.3884 -0.3884 -0.3884 -0.3536 -0.3536 -0.3536 -0.3536 4.8821 4.8821 4.8821 4.8821 4.9500 4.9500 4.9500 4.9500 5.2890 5.2890 5.2890 5.2890 6.8678 6.8678 6.8678 6.8678 7.2054 7.2054 7.2054 7.2054 7.3521 7.3521 7.3521 7.3521 16.5774 16.5774 16.5774 16.5774 16.6589 16.6589 16.6589 16.6589 17.9523 17.9523 k = 0.0465 0.0269 0.3856 ( 3434 PWs) bands (ev): -16.0053 -16.0053 -16.0053 -16.0053 -12.6294 -12.6294 -12.6294 -12.6294 -11.5748 -11.5748 -11.5748 -11.5748 -2.2854 -2.2854 -2.2854 -2.2854 -0.3931 -0.3931 -0.3931 -0.3931 -0.3505 -0.3505 -0.3505 -0.3505 4.8908 4.8908 4.8908 4.8908 4.9588 4.9588 4.9588 4.9588 5.2891 5.2891 5.2891 5.2891 6.8570 6.8570 6.8570 6.8570 7.2070 7.2070 7.2070 7.2070 7.3537 7.3537 7.3537 7.3537 16.5683 16.5683 16.5683 16.5683 16.6551 16.6551 16.6551 16.6551 17.9625 17.9625 k = 0.0581 0.0336 0.3856 ( 3438 PWs) bands (ev): -16.0013 -16.0013 -16.0013 -16.0013 -12.6354 -12.6354 -12.6354 -12.6354 -11.5760 -11.5760 -11.5760 -11.5760 -2.2857 -2.2857 -2.2857 -2.2857 -0.3988 -0.3988 -0.3988 -0.3988 -0.3469 -0.3469 -0.3469 -0.3469 4.9016 4.9016 4.9016 4.9016 4.9701 4.9701 4.9701 4.9701 5.2894 5.2894 5.2894 5.2894 6.8440 6.8440 6.8440 6.8440 7.2083 7.2083 7.2083 7.2083 7.3558 7.3558 7.3558 7.3558 16.5556 16.5556 16.5556 16.5556 16.6519 16.6519 16.6519 16.6519 17.9755 17.9755 k = 0.0698 0.0403 0.3856 ( 3442 PWs) bands (ev): -15.9965 -15.9965 -15.9965 -15.9965 -12.6426 -12.6426 -12.6426 -12.6426 -11.5774 -11.5774 -11.5774 -11.5774 -2.2861 -2.2861 -2.2861 -2.2861 -0.4052 -0.4052 -0.4052 -0.4052 -0.3429 -0.3429 -0.3429 -0.3429 4.9145 4.9145 4.9145 4.9145 4.9837 4.9837 4.9837 4.9837 5.2899 5.2899 5.2899 5.2899 6.8293 6.8293 6.8293 6.8293 7.2092 7.2092 7.2092 7.2092 7.3582 7.3582 7.3582 7.3582 16.5392 16.5392 16.5392 16.5392 16.6499 16.6499 16.6499 16.6499 17.9913 17.9913 k = 0.0814 0.0470 0.3856 ( 3452 PWs) bands (ev): -15.9908 -15.9908 -15.9908 -15.9908 -12.6511 -12.6511 -12.6511 -12.6511 -11.5790 -11.5790 -11.5790 -11.5790 -2.2866 -2.2866 -2.2866 -2.2866 -0.4124 -0.4124 -0.4124 -0.4124 -0.3384 -0.3384 -0.3384 -0.3384 4.9289 4.9289 4.9289 4.9289 4.9997 4.9997 4.9997 4.9997 5.2908 5.2908 5.2908 5.2908 6.8132 6.8132 6.8132 6.8132 7.2092 7.2092 7.2092 7.2092 7.3610 7.3610 7.3610 7.3610 16.5195 16.5195 16.5195 16.5195 16.6490 16.6490 16.6490 16.6490 18.0098 18.0098 k = 0.0930 0.0537 0.3856 ( 3452 PWs) bands (ev): -15.9843 -15.9843 -15.9843 -15.9843 -12.6607 -12.6607 -12.6607 -12.6607 -11.5809 -11.5809 -11.5809 -11.5809 -2.2871 -2.2871 -2.2871 -2.2871 -0.4203 -0.4203 -0.4203 -0.4203 -0.3334 -0.3334 -0.3334 -0.3334 4.9446 4.9446 4.9446 4.9446 5.0178 5.0178 5.0178 5.0178 5.2924 5.2924 5.2924 5.2924 6.7964 6.7964 6.7964 6.7964 7.2083 7.2083 7.2083 7.2083 7.3638 7.3638 7.3638 7.3638 16.4971 16.4971 16.4971 16.4971 16.6491 16.6491 16.6491 16.6491 18.0310 18.0310 k = 0.1047 0.0604 0.3856 ( 3460 PWs) bands (ev): -15.9770 -15.9770 -15.9770 -15.9770 -12.6716 -12.6716 -12.6716 -12.6716 -11.5830 -11.5830 -11.5830 -11.5830 -2.2877 -2.2877 -2.2877 -2.2877 -0.4289 -0.4289 -0.4289 -0.4289 -0.3279 -0.3279 -0.3279 -0.3279 4.9610 4.9610 4.9610 4.9610 5.0382 5.0382 5.0382 5.0382 5.2947 5.2947 5.2947 5.2947 6.7792 6.7792 6.7792 6.7792 7.2063 7.2063 7.2063 7.2063 7.3666 7.3666 7.3666 7.3666 16.4726 16.4726 16.4726 16.4726 16.6502 16.6502 16.6502 16.6502 18.0547 18.0547 k = 0.1163 0.0671 0.3856 ( 3460 PWs) bands (ev): -15.9689 -15.9689 -15.9689 -15.9689 -12.6836 -12.6836 -12.6836 -12.6836 -11.5853 -11.5853 -11.5853 -11.5853 -2.2884 -2.2884 -2.2884 -2.2884 -0.4381 -0.4381 -0.4381 -0.4381 -0.3218 -0.3218 -0.3218 -0.3218 4.9775 4.9775 4.9775 4.9775 5.0609 5.0609 5.0609 5.0609 5.2982 5.2982 5.2982 5.2982 6.7622 6.7622 6.7622 6.7622 7.2032 7.2032 7.2032 7.2032 7.3692 7.3692 7.3692 7.3692 16.4465 16.4465 16.4465 16.4465 16.6519 16.6519 16.6519 16.6519 18.0808 18.0808 k = 0.1279 0.0738 0.3856 ( 3464 PWs) bands (ev): -15.9601 -15.9601 -15.9601 -15.9601 -12.6966 -12.6966 -12.6966 -12.6966 -11.5877 -11.5877 -11.5877 -11.5877 -2.2893 -2.2893 -2.2893 -2.2893 -0.4479 -0.4479 -0.4479 -0.4479 -0.3152 -0.3152 -0.3152 -0.3152 4.9934 4.9934 4.9934 4.9934 5.0859 5.0859 5.0859 5.0859 5.3029 5.3029 5.3029 5.3029 6.7457 6.7457 6.7457 6.7457 7.1990 7.1990 7.1990 7.1990 7.3714 7.3714 7.3714 7.3714 16.4196 16.4196 16.4196 16.4196 16.6543 16.6543 16.6543 16.6543 18.1090 18.1090 k = 0.1395 0.0806 0.3856 ( 3464 PWs) bands (ev): -15.9505 -15.9505 -15.9505 -15.9505 -12.7107 -12.7107 -12.7107 -12.7107 -11.5904 -11.5904 -11.5904 -11.5904 -2.2902 -2.2902 -2.2902 -2.2902 -0.4581 -0.4581 -0.4581 -0.4581 -0.3081 -0.3081 -0.3081 -0.3081 5.0082 5.0082 5.0082 5.0082 5.1130 5.1130 5.1130 5.1130 5.3091 5.3091 5.3091 5.3091 6.7302 6.7302 6.7302 6.7302 7.1937 7.1937 7.1937 7.1937 7.3729 7.3729 7.3729 7.3729 16.3921 16.3921 16.3921 16.3921 16.6572 16.6572 16.6572 16.6572 18.1389 18.1389 k = 0.1512 0.0873 0.3856 ( 3464 PWs) bands (ev): -15.9403 -15.9403 -15.9403 -15.9403 -12.7257 -12.7257 -12.7257 -12.7257 -11.5933 -11.5933 -11.5933 -11.5933 -2.2912 -2.2912 -2.2912 -2.2912 -0.4688 -0.4688 -0.4688 -0.4688 -0.3004 -0.3004 -0.3004 -0.3004 5.0214 5.0214 5.0214 5.0214 5.1423 5.1423 5.1423 5.1423 5.3170 5.3170 5.3170 5.3170 6.7160 6.7160 6.7160 6.7160 7.1874 7.1874 7.1874 7.1874 7.3736 7.3736 7.3736 7.3736 16.3645 16.3645 16.3645 16.3645 16.6605 16.6605 16.6605 16.6605 18.1699 18.1699 k = 0.1628 0.0940 0.3856 ( 3468 PWs) bands (ev): -15.9294 -15.9294 -15.9294 -15.9294 -12.7416 -12.7416 -12.7416 -12.7416 -11.5963 -11.5963 -11.5963 -11.5963 -2.2923 -2.2923 -2.2923 -2.2923 -0.4799 -0.4799 -0.4799 -0.4799 -0.2922 -0.2922 -0.2922 -0.2922 5.0324 5.0324 5.0324 5.0324 5.1735 5.1735 5.1735 5.1735 5.3267 5.3267 5.3267 5.3267 6.7037 6.7037 6.7037 6.7037 7.1800 7.1800 7.1800 7.1800 7.3735 7.3735 7.3735 7.3735 16.3372 16.3372 16.3372 16.3372 16.6642 16.6642 16.6642 16.6642 18.2014 18.2014 k = 0.1744 0.1007 0.3856 ( 3482 PWs) bands (ev): -15.9179 -15.9179 -15.9179 -15.9179 -12.7584 -12.7584 -12.7584 -12.7584 -11.5995 -11.5995 -11.5995 -11.5995 -2.2935 -2.2935 -2.2935 -2.2935 -0.4913 -0.4913 -0.4913 -0.4913 -0.2835 -0.2835 -0.2835 -0.2835 5.0412 5.0412 5.0412 5.0412 5.2063 5.2063 5.2063 5.2063 5.3383 5.3383 5.3383 5.3383 6.6935 6.6935 6.6935 6.6935 7.1717 7.1717 7.1717 7.1717 7.3722 7.3722 7.3722 7.3722 16.3105 16.3105 16.3105 16.3105 16.6682 16.6682 16.6682 16.6682 18.2317 18.2317 k = 0.1860 0.1074 0.3856 ( 3486 PWs) bands (ev): -15.9059 -15.9059 -15.9059 -15.9059 -12.7759 -12.7759 -12.7759 -12.7759 -11.6027 -11.6027 -11.6027 -11.6027 -2.2949 -2.2949 -2.2949 -2.2949 -0.5029 -0.5029 -0.5029 -0.5029 -0.2742 -0.2742 -0.2742 -0.2742 5.0476 5.0476 5.0476 5.0476 5.2402 5.2402 5.2402 5.2402 5.3519 5.3519 5.3519 5.3519 6.6858 6.6858 6.6858 6.6858 7.1625 7.1625 7.1625 7.1625 7.3698 7.3698 7.3698 7.3698 16.2846 16.2846 16.2846 16.2846 16.6726 16.6726 16.6726 16.6726 18.2587 18.2587 k = 0.1977 0.1141 0.3856 ( 3490 PWs) bands (ev): -15.8933 -15.8933 -15.8933 -15.8933 -12.7941 -12.7941 -12.7941 -12.7941 -11.6061 -11.6061 -11.6061 -11.6061 -2.2963 -2.2963 -2.2963 -2.2963 -0.5147 -0.5147 -0.5147 -0.5147 -0.2644 -0.2644 -0.2644 -0.2644 5.0518 5.0518 5.0518 5.0518 5.2742 5.2742 5.2742 5.2742 5.3677 5.3677 5.3677 5.3677 6.6810 6.6810 6.6810 6.6810 7.1523 7.1523 7.1523 7.1523 7.3662 7.3662 7.3662 7.3662 16.2597 16.2597 16.2597 16.2597 16.6771 16.6771 16.6771 16.6771 18.2785 18.2785 k = 0.2093 0.1208 0.3856 ( 3490 PWs) bands (ev): -15.8803 -15.8803 -15.8803 -15.8803 -12.8129 -12.8129 -12.8129 -12.8129 -11.6096 -11.6096 -11.6096 -11.6096 -2.2978 -2.2978 -2.2978 -2.2978 -0.5265 -0.5265 -0.5265 -0.5265 -0.2542 -0.2542 -0.2542 -0.2542 5.0538 5.0538 5.0538 5.0538 5.3070 5.3070 5.3070 5.3070 5.3867 5.3867 5.3867 5.3867 6.6793 6.6793 6.6793 6.6793 7.1414 7.1414 7.1414 7.1414 7.3613 7.3613 7.3613 7.3613 16.2360 16.2360 16.2360 16.2360 16.6819 16.6819 16.6819 16.6819 18.2861 18.2861 k = 0.2209 0.1276 0.3856 ( 3494 PWs) bands (ev): -15.8668 -15.8668 -15.8668 -15.8668 -12.8322 -12.8322 -12.8322 -12.8322 -11.6132 -11.6132 -11.6132 -11.6132 -2.2994 -2.2994 -2.2994 -2.2994 -0.5384 -0.5384 -0.5384 -0.5384 -0.2436 -0.2436 -0.2436 -0.2436 5.0539 5.0539 5.0539 5.0539 5.3363 5.3363 5.3363 5.3363 5.4105 5.4105 5.4105 5.4105 6.6810 6.6810 6.6810 6.6810 7.1296 7.1296 7.1296 7.1296 7.3551 7.3551 7.3551 7.3551 16.2137 16.2137 16.2137 16.2137 16.6869 16.6869 16.6869 16.6869 18.2770 18.2770 k = 0.2326 0.1343 0.3856 ( 3496 PWs) bands (ev): -15.8530 -15.8530 -15.8530 -15.8530 -12.8519 -12.8519 -12.8519 -12.8519 -11.6168 -11.6168 -11.6168 -11.6168 -2.3011 -2.3011 -2.3011 -2.3011 -0.5502 -0.5502 -0.5502 -0.5502 -0.2326 -0.2326 -0.2326 -0.2326 5.0523 5.0523 5.0523 5.0523 5.3599 5.3599 5.3599 5.3599 5.4406 5.4406 5.4406 5.4406 6.6860 6.6860 6.6860 6.6860 7.1169 7.1169 7.1169 7.1169 7.3476 7.3476 7.3476 7.3476 16.1929 16.1929 16.1929 16.1929 16.6920 16.6920 16.6920 16.6920 18.2507 18.2507 k = 0.2442 0.1410 0.3856 ( 3490 PWs) bands (ev): -15.8389 -15.8389 -15.8389 -15.8389 -12.8720 -12.8720 -12.8720 -12.8720 -11.6204 -11.6204 -11.6204 -11.6204 -2.3029 -2.3029 -2.3029 -2.3029 -0.5619 -0.5619 -0.5619 -0.5619 -0.2213 -0.2213 -0.2213 -0.2213 5.0492 5.0492 5.0492 5.0492 5.3782 5.3782 5.3782 5.3782 5.4764 5.4764 5.4764 5.4764 6.6946 6.6946 6.6946 6.6946 7.1035 7.1035 7.1035 7.1035 7.3388 7.3388 7.3388 7.3388 16.1737 16.1737 16.1737 16.1737 16.6972 16.6972 16.6972 16.6972 18.2109 18.2109 k = 0.2558 0.1477 0.3856 ( 3486 PWs) bands (ev): -15.8246 -15.8246 -15.8246 -15.8246 -12.8922 -12.8922 -12.8922 -12.8922 -11.6241 -11.6241 -11.6241 -11.6241 -2.3047 -2.3047 -2.3047 -2.3047 -0.5734 -0.5734 -0.5734 -0.5734 -0.2097 -0.2097 -0.2097 -0.2097 5.0448 5.0448 5.0448 5.0448 5.3924 5.3924 5.3924 5.3924 5.5161 5.5161 5.5161 5.5161 6.7066 6.7066 6.7066 6.7066 7.0893 7.0893 7.0893 7.0893 7.3288 7.3288 7.3288 7.3288 16.1562 16.1562 16.1562 16.1562 16.7026 16.7026 16.7026 16.7026 18.1619 18.1619 k = 0.2674 0.1544 0.3856 ( 3478 PWs) bands (ev): -15.8101 -15.8101 -15.8101 -15.8101 -12.9126 -12.9126 -12.9126 -12.9126 -11.6277 -11.6277 -11.6277 -11.6277 -2.3066 -2.3066 -2.3066 -2.3066 -0.5846 -0.5846 -0.5846 -0.5846 -0.1979 -0.1979 -0.1979 -0.1979 5.0391 5.0391 5.0391 5.0391 5.4040 5.4040 5.4040 5.4040 5.5583 5.5583 5.5583 5.5583 6.7217 6.7217 6.7217 6.7217 7.0744 7.0744 7.0744 7.0744 7.3177 7.3177 7.3177 7.3177 16.1404 16.1404 16.1404 16.1404 16.7079 16.7079 16.7079 16.7079 18.1071 18.1071 k = 0.2791 0.1611 0.3856 ( 3478 PWs) bands (ev): -15.7956 -15.7956 -15.7956 -15.7956 -12.9331 -12.9331 -12.9331 -12.9331 -11.6313 -11.6313 -11.6313 -11.6313 -2.3085 -2.3085 -2.3085 -2.3085 -0.5956 -0.5956 -0.5956 -0.5956 -0.1860 -0.1860 -0.1860 -0.1860 5.0324 5.0324 5.0324 5.0324 5.4135 5.4135 5.4135 5.4135 5.6019 5.6019 5.6019 5.6019 6.7399 6.7399 6.7399 6.7399 7.0588 7.0588 7.0588 7.0588 7.3055 7.3055 7.3055 7.3055 16.1263 16.1263 16.1263 16.1263 16.7134 16.7134 16.7134 16.7134 18.0487 18.0487 k = 0.2907 0.1678 0.3856 ( 3470 PWs) bands (ev): -15.7811 -15.7811 -15.7811 -15.7811 -12.9534 -12.9534 -12.9534 -12.9534 -11.6349 -11.6349 -11.6349 -11.6349 -2.3104 -2.3104 -2.3104 -2.3104 -0.6063 -0.6063 -0.6063 -0.6063 -0.1740 -0.1740 -0.1740 -0.1740 5.0248 5.0248 5.0248 5.0248 5.4216 5.4216 5.4216 5.4216 5.6464 5.6464 5.6464 5.6464 6.7606 6.7606 6.7606 6.7606 7.0424 7.0424 7.0424 7.0424 7.2924 7.2924 7.2924 7.2924 16.1140 16.1140 16.1140 16.1140 16.7188 16.7188 16.7188 16.7188 17.9882 17.9882 k = 0.3023 0.1745 0.3856 ( 3470 PWs) bands (ev): -15.7666 -15.7666 -15.7666 -15.7666 -12.9736 -12.9736 -12.9736 -12.9736 -11.6384 -11.6384 -11.6384 -11.6384 -2.3124 -2.3124 -2.3124 -2.3124 -0.6165 -0.6165 -0.6165 -0.6165 -0.1620 -0.1620 -0.1620 -0.1620 5.0163 5.0163 5.0163 5.0163 5.4284 5.4284 5.4284 5.4284 5.6916 5.6916 5.6916 5.6916 6.7835 6.7835 6.7835 6.7835 7.0254 7.0254 7.0254 7.0254 7.2784 7.2784 7.2784 7.2784 16.1035 16.1035 16.1035 16.1035 16.7241 16.7241 16.7241 16.7241 17.9266 17.9266 k = 0.3140 0.1813 0.3856 ( 3474 PWs) bands (ev): -15.7523 -15.7523 -15.7523 -15.7523 -12.9934 -12.9934 -12.9934 -12.9934 -11.6419 -11.6419 -11.6419 -11.6419 -2.3143 -2.3143 -2.3143 -2.3143 -0.6264 -0.6264 -0.6264 -0.6264 -0.1502 -0.1502 -0.1502 -0.1502 5.0072 5.0072 5.0072 5.0072 5.4343 5.4343 5.4343 5.4343 5.7369 5.7369 5.7369 5.7369 6.8080 6.8080 6.8080 6.8080 7.0079 7.0079 7.0079 7.0079 7.2637 7.2637 7.2637 7.2637 16.0947 16.0947 16.0947 16.0947 16.7294 16.7294 16.7294 16.7294 17.8648 17.8648 k = 0.3256 0.1880 0.3856 ( 3478 PWs) bands (ev): -15.7382 -15.7382 -15.7382 -15.7382 -13.0128 -13.0128 -13.0128 -13.0128 -11.6452 -11.6452 -11.6452 -11.6452 -2.3163 -2.3163 -2.3163 -2.3163 -0.6358 -0.6358 -0.6358 -0.6358 -0.1385 -0.1385 -0.1385 -0.1385 4.9975 4.9975 4.9975 4.9975 5.4396 5.4396 5.4396 5.4396 5.7824 5.7824 5.7824 5.7824 6.8336 6.8336 6.8336 6.8336 6.9900 6.9900 6.9900 6.9900 7.2485 7.2485 7.2485 7.2485 16.0875 16.0875 16.0875 16.0875 16.7346 16.7346 16.7346 16.7346 17.8032 17.8032 k = 0.3372 0.1947 0.3856 ( 3478 PWs) bands (ev): -15.7245 -15.7245 -15.7245 -15.7245 -13.0317 -13.0317 -13.0317 -13.0317 -11.6484 -11.6484 -11.6484 -11.6484 -2.3182 -2.3182 -2.3182 -2.3182 -0.6447 -0.6447 -0.6447 -0.6447 -0.1271 -0.1271 -0.1271 -0.1271 4.9874 4.9874 4.9874 4.9874 5.4443 5.4443 5.4443 5.4443 5.8276 5.8276 5.8276 5.8276 6.8594 6.8594 6.8594 6.8594 6.9720 6.9720 6.9720 6.9720 7.2329 7.2329 7.2329 7.2329 16.0820 16.0820 16.0820 16.0820 16.7396 16.7396 16.7396 16.7396 17.7427 17.7427 k = 0.3488 0.2014 0.3856 ( 3480 PWs) bands (ev): -15.7112 -15.7112 -15.7112 -15.7112 -13.0500 -13.0500 -13.0500 -13.0500 -11.6515 -11.6515 -11.6515 -11.6515 -2.3200 -2.3200 -2.3200 -2.3200 -0.6531 -0.6531 -0.6531 -0.6531 -0.1160 -0.1160 -0.1160 -0.1160 4.9770 4.9770 4.9770 4.9770 5.4487 5.4487 5.4487 5.4487 5.8724 5.8724 5.8724 5.8724 6.8837 6.8837 6.8837 6.8837 6.9554 6.9554 6.9554 6.9554 7.2173 7.2173 7.2173 7.2173 16.0781 16.0781 16.0781 16.0781 16.7444 16.7444 16.7444 16.7444 17.6835 17.6835 k = 0.3605 0.2081 0.3856 ( 3480 PWs) bands (ev): -15.6984 -15.6984 -15.6984 -15.6984 -13.0674 -13.0674 -13.0674 -13.0674 -11.6544 -11.6544 -11.6544 -11.6544 -2.3218 -2.3218 -2.3218 -2.3218 -0.6609 -0.6609 -0.6609 -0.6609 -0.1054 -0.1054 -0.1054 -0.1054 4.9665 4.9665 4.9665 4.9665 5.4528 5.4528 5.4528 5.4528 5.9166 5.9166 5.9166 5.9166 6.9002 6.9002 6.9002 6.9002 6.9458 6.9458 6.9458 6.9458 7.2017 7.2017 7.2017 7.2017 16.0756 16.0756 16.0756 16.0756 16.7490 16.7490 16.7490 16.7490 17.6262 17.6262 k = 0.3721 0.2148 0.3856 ( 3476 PWs) bands (ev): -15.6862 -15.6862 -15.6862 -15.6862 -13.0840 -13.0840 -13.0840 -13.0840 -11.6571 -11.6571 -11.6571 -11.6571 -2.3235 -2.3235 -2.3235 -2.3235 -0.6682 -0.6682 -0.6682 -0.6682 -0.0952 -0.0952 -0.0952 -0.0952 4.9561 4.9561 4.9561 4.9561 5.4567 5.4567 5.4567 5.4567 5.9600 5.9600 5.9600 5.9600 6.8959 6.8959 6.8959 6.8959 6.9558 6.9558 6.9558 6.9558 7.1865 7.1865 7.1865 7.1865 16.0744 16.0744 16.0744 16.0744 16.7533 16.7533 16.7533 16.7533 17.5713 17.5713 k = 0.3837 0.2215 0.3856 ( 3476 PWs) bands (ev): -15.6747 -15.6747 -15.6747 -15.6747 -13.0996 -13.0996 -13.0996 -13.0996 -11.6597 -11.6597 -11.6597 -11.6597 -2.3251 -2.3251 -2.3251 -2.3251 -0.6749 -0.6749 -0.6749 -0.6749 -0.0857 -0.0857 -0.0857 -0.0857 4.9458 4.9458 4.9458 4.9458 5.4605 5.4605 5.4605 5.4605 6.0022 6.0022 6.0022 6.0022 6.8793 6.8793 6.8793 6.8793 6.9767 6.9767 6.9767 6.9767 7.1720 7.1720 7.1720 7.1720 16.0744 16.0744 16.0744 16.0744 16.7573 16.7573 16.7573 16.7573 17.5191 17.5191 k = 0.3953 0.2283 0.3856 ( 3476 PWs) bands (ev): -15.6640 -15.6640 -15.6640 -15.6640 -13.1141 -13.1141 -13.1141 -13.1141 -11.6621 -11.6621 -11.6621 -11.6621 -2.3266 -2.3266 -2.3266 -2.3266 -0.6810 -0.6810 -0.6810 -0.6810 -0.0768 -0.0768 -0.0768 -0.0768 4.9360 4.9360 4.9360 4.9360 5.4642 5.4642 5.4642 5.4642 6.0432 6.0432 6.0432 6.0432 6.8595 6.8595 6.8595 6.8595 6.9988 6.9988 6.9988 6.9988 7.1585 7.1585 7.1585 7.1585 16.0753 16.0753 16.0753 16.0753 16.7611 16.7611 16.7611 16.7611 17.4702 17.4702 k = 0.4070 0.2350 0.3856 ( 3480 PWs) bands (ev): -15.6541 -15.6541 -15.6541 -15.6541 -13.1273 -13.1273 -13.1273 -13.1273 -11.6642 -11.6642 -11.6642 -11.6642 -2.3280 -2.3280 -2.3280 -2.3280 -0.6865 -0.6865 -0.6865 -0.6865 -0.0686 -0.0686 -0.0686 -0.0686 4.9267 4.9267 4.9267 4.9267 5.4678 5.4678 5.4678 5.4678 6.0824 6.0824 6.0824 6.0824 6.8389 6.8389 6.8389 6.8389 7.0195 7.0195 7.0195 7.0195 7.1465 7.1465 7.1465 7.1465 16.0771 16.0771 16.0771 16.0771 16.7644 16.7644 16.7644 16.7644 17.4249 17.4249 k = 0.4186 0.2417 0.3856 ( 3480 PWs) bands (ev): -15.6452 -15.6452 -15.6452 -15.6452 -13.1393 -13.1393 -13.1393 -13.1393 -11.6661 -11.6661 -11.6661 -11.6661 -2.3292 -2.3292 -2.3292 -2.3292 -0.6914 -0.6914 -0.6914 -0.6914 -0.0612 -0.0612 -0.0612 -0.0612 4.9182 4.9182 4.9182 4.9182 5.4711 5.4711 5.4711 5.4711 6.1196 6.1196 6.1196 6.1196 6.8181 6.8181 6.8181 6.8181 7.0374 7.0374 7.0374 7.0374 7.1367 7.1367 7.1367 7.1367 16.0795 16.0795 16.0795 16.0795 16.7674 16.7674 16.7674 16.7674 17.3837 17.3837 k = 0.4302 0.2484 0.3856 ( 3488 PWs) bands (ev): -15.6374 -15.6374 -15.6374 -15.6374 -13.1499 -13.1499 -13.1499 -13.1499 -11.6678 -11.6678 -11.6678 -11.6678 -2.3303 -2.3303 -2.3303 -2.3303 -0.6956 -0.6956 -0.6956 -0.6956 -0.0547 -0.0547 -0.0547 -0.0547 4.9104 4.9104 4.9104 4.9104 5.4742 5.4742 5.4742 5.4742 6.1543 6.1543 6.1543 6.1543 6.7977 6.7977 6.7977 6.7977 7.0514 7.0514 7.0514 7.0514 7.1299 7.1299 7.1299 7.1299 16.0822 16.0822 16.0822 16.0822 16.7699 16.7699 16.7699 16.7699 17.3470 17.3470 k = 0.4419 0.2551 0.3856 ( 3488 PWs) bands (ev): -15.6306 -15.6306 -15.6306 -15.6306 -13.1590 -13.1590 -13.1590 -13.1590 -11.6693 -11.6693 -11.6693 -11.6693 -2.3313 -2.3313 -2.3313 -2.3313 -0.6992 -0.6992 -0.6992 -0.6992 -0.0491 -0.0491 -0.0491 -0.0491 4.9037 4.9037 4.9037 4.9037 5.4769 5.4769 5.4769 5.4769 6.1859 6.1859 6.1859 6.1859 6.7783 6.7783 6.7783 6.7783 7.0603 7.0603 7.0603 7.0603 7.1273 7.1273 7.1273 7.1273 16.0851 16.0851 16.0851 16.0851 16.7721 16.7721 16.7721 16.7721 17.3151 17.3151 k = 0.4535 0.2618 0.3856 ( 3482 PWs) bands (ev): -15.6249 -15.6249 -15.6249 -15.6249 -13.1665 -13.1665 -13.1665 -13.1665 -11.6705 -11.6705 -11.6705 -11.6705 -2.3321 -2.3321 -2.3321 -2.3321 -0.7021 -0.7021 -0.7021 -0.7021 -0.0445 -0.0445 -0.0445 -0.0445 4.8980 4.8980 4.8980 4.8980 5.4793 5.4793 5.4793 5.4793 6.2137 6.2137 6.2137 6.2137 6.7606 6.7606 6.7606 6.7606 7.0641 7.0641 7.0641 7.0641 7.1288 7.1288 7.1288 7.1288 16.0879 16.0879 16.0879 16.0879 16.7739 16.7739 16.7739 16.7739 17.2885 17.2885 k = 0.4651 0.2685 0.3856 ( 3470 PWs) bands (ev): -15.6205 -15.6205 -15.6205 -15.6205 -13.1724 -13.1724 -13.1724 -13.1724 -11.6714 -11.6714 -11.6714 -11.6714 -2.3327 -2.3327 -2.3327 -2.3327 -0.7044 -0.7044 -0.7044 -0.7044 -0.0408 -0.0408 -0.0408 -0.0408 4.8935 4.8935 4.8935 4.8935 5.4812 5.4812 5.4812 5.4812 6.2369 6.2369 6.2369 6.2369 6.7453 6.7453 6.7453 6.7453 7.0643 7.0643 7.0643 7.0643 7.1326 7.1326 7.1326 7.1326 16.0903 16.0903 16.0903 16.0903 16.7752 16.7752 16.7752 16.7752 17.2674 17.2674 k = 0.4767 0.2752 0.3856 ( 3470 PWs) bands (ev): -15.6173 -15.6173 -15.6173 -15.6173 -13.1767 -13.1767 -13.1767 -13.1767 -11.6720 -11.6720 -11.6720 -11.6720 -2.3331 -2.3331 -2.3331 -2.3331 -0.7061 -0.7061 -0.7061 -0.7061 -0.0381 -0.0381 -0.0381 -0.0381 4.8902 4.8902 4.8902 4.8902 5.4827 5.4827 5.4827 5.4827 6.2544 6.2544 6.2544 6.2544 6.7334 6.7334 6.7334 6.7334 7.0632 7.0632 7.0632 7.0632 7.1367 7.1367 7.1367 7.1367 16.0922 16.0922 16.0922 16.0922 16.7762 16.7762 16.7762 16.7762 17.2521 17.2521 k = 0.4884 0.2820 0.3856 ( 3474 PWs) bands (ev): -15.6153 -15.6153 -15.6153 -15.6153 -13.1793 -13.1793 -13.1793 -13.1793 -11.6725 -11.6725 -11.6725 -11.6725 -2.3334 -2.3334 -2.3334 -2.3334 -0.7071 -0.7071 -0.7071 -0.7071 -0.0366 -0.0366 -0.0366 -0.0366 4.8882 4.8882 4.8882 4.8882 5.4835 5.4835 5.4835 5.4835 6.2654 6.2654 6.2654 6.2654 6.7258 6.7258 6.7258 6.7258 7.0620 7.0620 7.0620 7.0620 7.1397 7.1397 7.1397 7.1397 16.0934 16.0934 16.0934 16.0934 16.7767 16.7767 16.7767 16.7767 17.2429 17.2429 k = 0.5000 0.2887 0.3856 ( 3472 PWs) bands (ev): -15.6147 -15.6147 -15.6147 -15.6147 -13.1801 -13.1801 -13.1801 -13.1801 -11.6726 -11.6726 -11.6726 -11.6726 -2.3335 -2.3335 -2.3335 -2.3335 -0.7074 -0.7074 -0.7074 -0.7074 -0.0360 -0.0360 -0.0360 -0.0360 4.8875 4.8875 4.8875 4.8875 5.4838 5.4838 5.4838 5.4838 6.2692 6.2692 6.2692 6.2692 6.7232 6.7232 6.7232 6.7232 7.0616 7.0616 7.0616 7.0616 7.1407 7.1407 7.1407 7.1407 16.0938 16.0938 16.0938 16.0938 16.7769 16.7769 16.7769 16.7769 17.2398 17.2398 k = 0.5000 0.2887 0.3856 ( 3472 PWs) bands (ev): -15.6147 -15.6147 -15.6147 -15.6147 -13.1801 -13.1801 -13.1801 -13.1801 -11.6726 -11.6726 -11.6726 -11.6726 -2.3335 -2.3335 -2.3335 -2.3335 -0.7074 -0.7074 -0.7074 -0.7074 -0.0360 -0.0360 -0.0360 -0.0360 4.8875 4.8875 4.8875 4.8875 5.4838 5.4838 5.4838 5.4838 6.2692 6.2692 6.2692 6.2692 6.7232 6.7232 6.7232 6.7232 7.0616 7.0616 7.0616 7.0616 7.1407 7.1407 7.1407 7.1407 16.0938 16.0938 16.0938 16.0938 16.7769 16.7769 16.7769 16.7769 17.2398 17.2398 k = 0.4933 0.3002 0.3856 ( 3476 PWs) bands (ev): -15.6145 -15.6145 -15.6145 -15.6145 -13.1807 -13.1807 -13.1799 -13.1799 -11.6729 -11.6729 -11.6726 -11.6726 -2.3465 -2.3465 -2.3203 -2.3203 -0.7109 -0.7109 -0.7047 -0.7047 -0.0508 -0.0508 -0.0195 -0.0195 4.8867 4.8867 4.8870 4.8870 5.4773 5.4773 5.4853 5.4853 6.2595 6.2595 6.2829 6.2829 6.7242 6.7242 6.7249 6.7249 7.0601 7.0601 7.0625 7.0625 7.1389 7.1389 7.1427 7.1427 16.0939 16.0939 16.0939 16.0939 16.7757 16.7757 16.7780 16.7780 17.2387 17.2387 k = 0.4867 0.3118 0.3856 ( 3476 PWs) bands (ev): -15.6139 -15.6139 -15.6139 -15.6139 -13.1816 -13.1816 -13.1801 -13.1801 -11.6735 -11.6735 -11.6730 -11.6730 -2.3594 -2.3594 -2.3072 -2.3072 -0.7153 -0.7153 -0.7028 -0.7028 -0.0638 -0.0638 -0.0015 -0.0015 4.8847 4.8847 4.8853 4.8853 5.4664 5.4664 5.4817 5.4817 6.2541 6.2541 6.3003 6.3003 6.7280 6.7280 6.7294 6.7294 7.0582 7.0582 7.0630 7.0630 7.1371 7.1371 7.1448 7.1448 16.0940 16.0940 16.0941 16.0941 16.7743 16.7743 16.7790 16.7790 17.2395 17.2395 k = 0.4800 0.3233 0.3856 ( 3484 PWs) bands (ev): -15.6129 -15.6129 -15.6129 -15.6129 -13.1829 -13.1829 -13.1806 -13.1806 -11.6744 -11.6744 -11.6736 -11.6736 -2.3721 -2.3721 -2.2941 -2.2941 -0.7205 -0.7205 -0.7016 -0.7016 -0.0750 -0.0750 0.0179 0.0179 4.8815 4.8815 4.8823 4.8823 5.4516 5.4516 5.4731 5.4731 6.2531 6.2531 6.3207 6.3207 6.7344 6.7344 6.7365 6.7365 7.0557 7.0557 7.0631 7.0631 7.1356 7.1356 7.1470 7.1470 16.0943 16.0943 16.0945 16.0945 16.7728 16.7728 16.7797 16.7797 17.2424 17.2424 k = 0.4733 0.3349 0.3856 ( 3490 PWs) bands (ev): -15.6116 -15.6116 -15.6116 -15.6116 -13.1846 -13.1846 -13.1815 -13.1815 -11.6755 -11.6755 -11.6745 -11.6745 -2.3845 -2.3845 -2.2810 -2.2810 -0.7265 -0.7265 -0.7011 -0.7011 -0.0844 -0.0843 0.0386 0.0386 4.8771 4.8771 4.8780 4.8780 5.4337 5.4337 5.4598 5.4598 6.2562 6.2562 6.3434 6.3434 6.7433 6.7433 6.7462 6.7462 7.0526 7.0526 7.0627 7.0627 7.1342 7.1342 7.1494 7.1494 16.0947 16.0947 16.0950 16.0950 16.7713 16.7713 16.7804 16.7804 17.2472 17.2472 k = 0.4667 0.3464 0.3856 ( 3490 PWs) bands (ev): -15.6099 -15.6099 -15.6099 -15.6099 -13.1865 -13.1865 -13.1827 -13.1827 -11.6770 -11.6770 -11.6757 -11.6757 -2.3966 -2.3966 -2.2682 -2.2682 -0.7333 -0.7333 -0.7012 -0.7012 -0.0918 -0.0918 0.0603 0.0603 4.8716 4.8716 4.8725 4.8725 5.4135 5.4135 5.4424 5.4424 6.2629 6.2629 6.3678 6.3678 6.7545 6.7545 6.7582 6.7582 7.0490 7.0490 7.0619 7.0619 7.1330 7.1330 7.1519 7.1519 16.0953 16.0953 16.0957 16.0957 16.7698 16.7698 16.7810 16.7810 17.2538 17.2538 k = 0.4600 0.3580 0.3856 ( 3486 PWs) bands (ev): -15.6078 -15.6078 -15.6078 -15.6078 -13.1888 -13.1888 -13.1843 -13.1843 -11.6787 -11.6787 -11.6772 -11.6772 -2.4083 -2.4083 -2.2555 -2.2555 -0.7408 -0.7408 -0.7018 -0.7018 -0.0975 -0.0975 0.0829 0.0829 4.8649 4.8649 4.8658 4.8658 5.3917 5.3917 5.4217 5.4217 6.2727 6.2727 6.3932 6.3932 6.7678 6.7678 6.7724 6.7724 7.0448 7.0448 7.0607 7.0607 7.1321 7.1321 7.1545 7.1545 16.0960 16.0960 16.0966 16.0966 16.7684 16.7684 16.7816 16.7816 17.2621 17.2621 k = 0.4533 0.3695 0.3856 ( 3482 PWs) bands (ev): -15.6055 -15.6055 -15.6054 -15.6054 -13.1914 -13.1914 -13.1861 -13.1861 -11.6806 -11.6806 -11.6789 -11.6789 -2.4195 -2.4195 -2.2432 -2.2432 -0.7489 -0.7489 -0.7029 -0.7029 -0.1014 -0.1014 0.1061 0.1061 4.8571 4.8571 4.8578 4.8578 5.3690 5.3690 5.3986 5.3986 6.2850 6.2850 6.4191 6.4191 6.7830 6.7830 6.7884 6.7884 7.0400 7.0400 7.0590 7.0590 7.1316 7.1316 7.1573 7.1573 16.0968 16.0968 16.0978 16.0978 16.7671 16.7671 16.7821 16.7821 17.2720 17.2720 k = 0.4467 0.3811 0.3856 ( 3486 PWs) bands (ev): -15.6028 -15.6028 -15.6028 -15.6028 -13.1942 -13.1942 -13.1883 -13.1883 -11.6827 -11.6827 -11.6808 -11.6808 -2.4304 -2.4304 -2.2312 -2.2312 -0.7575 -0.7575 -0.7043 -0.7043 -0.1037 -0.1037 0.1298 0.1298 4.8483 4.8483 4.8487 4.8487 5.3461 5.3461 5.3740 5.3740 6.2991 6.2991 6.4450 6.4450 6.7996 6.7996 6.8061 6.8061 7.0348 7.0348 7.0568 7.0568 7.1314 7.1314 7.1602 7.1602 16.0979 16.0979 16.0992 16.0992 16.7660 16.7660 16.7828 16.7828 17.2834 17.2834 k = 0.4400 0.3926 0.3856 ( 3486 PWs) bands (ev): -15.5999 -15.5999 -15.5999 -15.5999 -13.1973 -13.1973 -13.1908 -13.1908 -11.6850 -11.6850 -11.6828 -11.6828 -2.4407 -2.4407 -2.2197 -2.2197 -0.7666 -0.7666 -0.7061 -0.7061 -0.1044 -0.1044 0.1537 0.1537 4.8384 4.8384 4.8385 4.8385 5.3235 5.3235 5.3485 5.3485 6.3145 6.3145 6.4707 6.4707 6.8174 6.8174 6.8250 6.8250 7.0291 7.0291 7.0543 7.0543 7.1317 7.1317 7.1631 7.1631 16.0991 16.0991 16.1009 16.1009 16.7652 16.7652 16.7836 16.7836 17.2959 17.2959 k = 0.4333 0.4041 0.3856 ( 3490 PWs) bands (ev): -15.5968 -15.5968 -15.5967 -15.5967 -13.2007 -13.2007 -13.1935 -13.1935 -11.6874 -11.6874 -11.6850 -11.6850 -2.4505 -2.4505 -2.2086 -2.2086 -0.7759 -0.7759 -0.7082 -0.7082 -0.1039 -0.1039 0.1776 0.1776 4.8272 4.8272 4.8276 4.8276 5.3016 5.3016 5.3229 5.3229 6.3308 6.3308 6.4956 6.4956 6.8361 6.8361 6.8449 6.8449 7.0231 7.0231 7.0514 7.0514 7.1323 7.1323 7.1661 7.1661 16.1006 16.1006 16.1029 16.1029 16.7646 16.7646 16.7846 16.7846 17.3095 17.3095 k = 0.4267 0.4157 0.3856 ( 3494 PWs) bands (ev): -15.5934 -15.5934 -15.5934 -15.5934 -13.2042 -13.2042 -13.1964 -13.1964 -11.6899 -11.6899 -11.6873 -11.6873 -2.4597 -2.4597 -2.1980 -2.1980 -0.7854 -0.7854 -0.7104 -0.7104 -0.1021 -0.1021 0.2013 0.2013 4.8150 4.8150 4.8159 4.8159 5.2809 5.2809 5.2979 5.2979 6.3475 6.3475 6.5197 6.5197 6.8553 6.8553 6.8653 6.8653 7.0168 7.0168 7.0483 7.0483 7.1333 7.1333 7.1689 7.1689 16.1023 16.1023 16.1052 16.1052 16.7644 16.7644 16.7859 16.7859 17.3239 17.3239 k = 0.4200 0.4272 0.3856 ( 3494 PWs) bands (ev): -15.5900 -15.5900 -15.5899 -15.5899 -13.2079 -13.2079 -13.1995 -13.1995 -11.6924 -11.6924 -11.6896 -11.6896 -2.4683 -2.4683 -2.1880 -2.1880 -0.7949 -0.7949 -0.7128 -0.7128 -0.0994 -0.0994 0.2245 0.2245 4.8021 4.8021 4.8035 4.8035 5.2617 5.2617 5.2740 5.2740 6.3643 6.3643 6.5426 6.5426 6.8747 6.8747 6.8859 6.8859 7.0105 7.0105 7.0450 7.0450 7.1346 7.1346 7.1717 7.1717 16.1042 16.1042 16.1077 16.1077 16.7644 16.7644 16.7874 16.7874 17.3387 17.3387 k = 0.4133 0.4388 0.3856 ( 3496 PWs) bands (ev): -15.5864 -15.5864 -15.5864 -15.5864 -13.2117 -13.2117 -13.2027 -13.2027 -11.6950 -11.6950 -11.6919 -11.6919 -2.4764 -2.4764 -2.1786 -2.1786 -0.8042 -0.8042 -0.7153 -0.7153 -0.0959 -0.0959 0.2470 0.2470 4.7886 4.7886 4.7904 4.7904 5.2440 5.2440 5.2516 5.2516 6.3810 6.3810 6.5641 6.5641 6.8939 6.8939 6.9063 6.9063 7.0044 7.0044 7.0418 7.0418 7.1360 7.1360 7.1743 7.1743 16.1064 16.1064 16.1106 16.1106 16.7648 16.7648 16.7891 16.7891 17.3539 17.3539 k = 0.4067 0.4503 0.3856 ( 3484 PWs) bands (ev): -15.5828 -15.5828 -15.5828 -15.5828 -13.2155 -13.2155 -13.2061 -13.2061 -11.6975 -11.6975 -11.6942 -11.6942 -2.4838 -2.4838 -2.1699 -2.1699 -0.8133 -0.8133 -0.7178 -0.7178 -0.0917 -0.0917 0.2687 0.2687 4.7748 4.7748 4.7769 4.7769 5.2282 5.2282 5.2309 5.2309 6.3972 6.3972 6.5843 6.5843 6.9128 6.9128 6.9257 6.9257 6.9989 6.9989 7.0388 7.0388 7.1375 7.1375 7.1766 7.1766 16.1087 16.1087 16.1137 16.1137 16.7655 16.7655 16.7912 16.7912 17.3689 17.3689 k = 0.4000 0.4619 0.3856 ( 3488 PWs) bands (ev): -15.5792 -15.5792 -15.5792 -15.5792 -13.2194 -13.2194 -13.2095 -13.2095 -11.6999 -11.6999 -11.6965 -11.6965 -2.4905 -2.4905 -2.1619 -2.1619 -0.8221 -0.8221 -0.7203 -0.7203 -0.0871 -0.0871 0.2893 0.2893 4.7609 4.7609 4.7632 4.7632 5.2123 5.2123 5.2141 5.2141 6.4128 6.4128 6.6028 6.6028 6.9309 6.9309 6.9429 6.9429 6.9951 6.9951 7.0361 7.0361 7.1389 7.1389 7.1787 7.1787 16.1113 16.1113 16.1171 16.1171 16.7665 16.7665 16.7935 16.7935 17.3835 17.3835 k = 0.3933 0.4734 0.3856 ( 3476 PWs) bands (ev): -15.5756 -15.5756 -15.5756 -15.5756 -13.2232 -13.2232 -13.2129 -13.2129 -11.7022 -11.7022 -11.6987 -11.6987 -2.4966 -2.4966 -2.1546 -2.1546 -0.8303 -0.8303 -0.7227 -0.7227 -0.0823 -0.0823 0.3086 0.3086 4.7472 4.7472 4.7495 4.7495 5.1958 5.1958 5.2019 5.2019 6.4275 6.4275 6.6196 6.6196 6.9479 6.9479 6.9552 6.9552 6.9955 6.9955 7.0341 7.0341 7.1401 7.1401 7.1805 7.1805 16.1140 16.1140 16.1206 16.1206 16.7677 16.7677 16.7961 16.7961 17.3972 17.3972 k = 0.3867 0.4850 0.3856 ( 3480 PWs) bands (ev): -15.5722 -15.5722 -15.5722 -15.5722 -13.2269 -13.2269 -13.2162 -13.2162 -11.7044 -11.7044 -11.7007 -11.7007 -2.5021 -2.5021 -2.1481 -2.1481 -0.8380 -0.8380 -0.7250 -0.7250 -0.0773 -0.0773 0.3265 0.3265 4.7340 4.7340 4.7362 4.7362 5.1814 5.1814 5.1915 5.1915 6.4413 6.4413 6.6347 6.6347 6.9596 6.9596 6.9632 6.9632 7.0030 7.0030 7.0331 7.0331 7.1409 7.1409 7.1820 7.1820 16.1168 16.1168 16.1242 16.1242 16.7692 16.7692 16.7989 16.7989 17.4097 17.4097 k = 0.3800 0.4965 0.3856 ( 3488 PWs) bands (ev): -15.5689 -15.5689 -15.5689 -15.5689 -13.2305 -13.2305 -13.2194 -13.2194 -11.7065 -11.7065 -11.7026 -11.7026 -2.5069 -2.5069 -2.1423 -2.1423 -0.8450 -0.8450 -0.7272 -0.7272 -0.0725 -0.0725 0.3426 0.3426 4.7216 4.7216 4.7235 4.7235 5.1691 5.1691 5.1827 5.1827 6.4540 6.4540 6.6480 6.6480 6.9581 6.9581 6.9764 6.9764 7.0152 7.0152 7.0336 7.0336 7.1414 7.1414 7.1832 7.1832 16.1196 16.1196 16.1278 16.1278 16.7708 16.7708 16.8018 16.8018 17.4206 17.4206 k = 0.3733 0.5081 0.3856 ( 3488 PWs) bands (ev): -15.5659 -15.5659 -15.5659 -15.5659 -13.2338 -13.2338 -13.2224 -13.2224 -11.7083 -11.7083 -11.7044 -11.7044 -2.5111 -2.5111 -2.1374 -2.1374 -0.8512 -0.8512 -0.7292 -0.7292 -0.0679 -0.0679 0.3570 0.3570 4.7102 4.7102 4.7118 4.7118 5.1590 5.1590 5.1755 5.1755 6.4654 6.4654 6.6594 6.6594 6.9545 6.9545 6.9868 6.9868 7.0283 7.0283 7.0360 7.0360 7.1414 7.1414 7.1842 7.1842 16.1225 16.1225 16.1314 16.1314 16.7724 16.7724 16.8048 16.8048 17.4295 17.4295 k = 0.3667 0.5196 0.3856 ( 3492 PWs) bands (ev): -15.5632 -15.5632 -15.5632 -15.5632 -13.2368 -13.2368 -13.2252 -13.2252 -11.7099 -11.7099 -11.7059 -11.7059 -2.5146 -2.5146 -2.1332 -2.1332 -0.8566 -0.8566 -0.7309 -0.7309 -0.0638 -0.0638 0.3694 0.3694 4.7001 4.7001 4.7013 4.7013 5.1507 5.1507 5.1697 5.1697 6.4754 6.4754 6.6691 6.6691 6.9505 6.9505 6.9940 6.9940 7.0403 7.0403 7.0405 7.0405 7.1409 7.1409 7.1850 7.1850 16.1251 16.1251 16.1348 16.1348 16.7741 16.7741 16.8077 16.8077 17.4363 17.4363 k = 0.3600 0.5312 0.3856 ( 3488 PWs) bands (ev): -15.5608 -15.5608 -15.5608 -15.5608 -13.2394 -13.2394 -13.2276 -13.2276 -11.7112 -11.7112 -11.7071 -11.7071 -2.5174 -2.5174 -2.1298 -2.1298 -0.8611 -0.8611 -0.7325 -0.7325 -0.0602 -0.0602 0.3797 0.3797 4.6915 4.6915 4.6923 4.6923 5.1443 5.1443 5.1653 5.1653 6.4840 6.4840 6.6770 6.6770 6.9468 6.9468 6.9985 6.9985 7.0462 7.0462 7.0506 7.0506 7.1401 7.1401 7.1857 7.1857 16.1276 16.1276 16.1378 16.1378 16.7758 16.7758 16.8105 16.8105 17.4409 17.4409 k = 0.3533 0.5427 0.3856 ( 3488 PWs) bands (ev): -15.5589 -15.5589 -15.5589 -15.5589 -13.2416 -13.2416 -13.2296 -13.2296 -11.7123 -11.7123 -11.7081 -11.7081 -2.5196 -2.5196 -2.1271 -2.1271 -0.8647 -0.8647 -0.7337 -0.7337 -0.0572 -0.0572 0.3878 0.3878 4.6846 4.6846 4.6851 4.6851 5.1396 5.1396 5.1621 5.1621 6.4908 6.4908 6.6832 6.6832 6.9436 6.9436 7.0011 7.0011 7.0520 7.0520 7.0587 7.0587 7.1392 7.1392 7.1864 7.1864 16.1297 16.1297 16.1404 16.1404 16.7772 16.7772 16.8130 16.8130 17.4434 17.4434 k = 0.3467 0.5543 0.3856 ( 3488 PWs) bands (ev): -15.5575 -15.5575 -15.5574 -15.5574 -13.2432 -13.2432 -13.2312 -13.2312 -11.7131 -11.7131 -11.7089 -11.7089 -2.5212 -2.5212 -2.1253 -2.1253 -0.8673 -0.8673 -0.7346 -0.7346 -0.0550 -0.0550 0.3937 0.3937 4.6796 4.6796 4.6798 4.6798 5.1363 5.1363 5.1599 5.1599 6.4959 6.4959 6.6876 6.6876 6.9411 6.9411 7.0027 7.0027 7.0567 7.0567 7.0644 7.0644 7.1383 7.1383 7.1871 7.1871 16.1313 16.1313 16.1424 16.1424 16.7784 16.7784 16.8150 16.8150 17.4443 17.4443 k = 0.3400 0.5658 0.3856 ( 3490 PWs) bands (ev): -15.5565 -15.5565 -15.5565 -15.5565 -13.2443 -13.2443 -13.2321 -13.2321 -11.7135 -11.7135 -11.7093 -11.7093 -2.5221 -2.5221 -2.1242 -2.1242 -0.8688 -0.8688 -0.7351 -0.7351 -0.0536 -0.0536 0.3972 0.3972 4.6765 4.6765 4.6765 4.6765 5.1345 5.1345 5.1587 5.1587 6.4991 6.4991 6.6903 6.6903 6.9396 6.9396 7.0036 7.0036 7.0596 7.0596 7.0676 7.0676 7.1378 7.1378 7.1877 7.1877 16.1324 16.1324 16.1437 16.1437 16.7792 16.7792 16.8164 16.8164 17.4443 17.4443 k = 0.3333 0.5774 0.3856 ( 3498 PWs) bands (ev): -15.5562 -15.5562 -15.5562 -15.5562 -13.2447 -13.2447 -13.2325 -13.2325 -11.7137 -11.7137 -11.7095 -11.7095 -2.5224 -2.5224 -2.1238 -2.1238 -0.8694 -0.8694 -0.7353 -0.7353 -0.0531 -0.0531 0.3984 0.3984 4.6754 4.6754 4.6755 4.6755 5.1339 5.1339 5.1583 5.1583 6.5002 6.5002 6.6912 6.6912 6.9391 6.9391 7.0040 7.0040 7.0605 7.0605 7.0687 7.0687 7.1376 7.1376 7.1879 7.1879 16.1327 16.1327 16.1441 16.1441 16.7794 16.7794 16.8168 16.8168 17.4440 17.4440 k = 0.3333 0.5774 0.3856 ( 3498 PWs) bands (ev): -15.5562 -15.5562 -15.5562 -15.5562 -13.2447 -13.2447 -13.2325 -13.2325 -11.7137 -11.7137 -11.7095 -11.7095 -2.5224 -2.5224 -2.1238 -2.1238 -0.8694 -0.8694 -0.7353 -0.7353 -0.0531 -0.0531 0.3984 0.3984 4.6754 4.6754 4.6755 4.6755 5.1339 5.1339 5.1583 5.1583 6.5002 6.5002 6.6912 6.6912 6.9391 6.9391 7.0040 7.0040 7.0605 7.0605 7.0687 7.0687 7.1376 7.1376 7.1879 7.1879 16.1327 16.1327 16.1441 16.1441 16.7794 16.7794 16.8168 16.8168 17.4440 17.4440 k = 0.3267 0.5658 0.3856 ( 3494 PWs) bands (ev): -15.5566 -15.5566 -15.5565 -15.5565 -13.2443 -13.2443 -13.2321 -13.2321 -11.7135 -11.7135 -11.7093 -11.7093 -2.5221 -2.5221 -2.1242 -2.1242 -0.8688 -0.8688 -0.7351 -0.7351 -0.0536 -0.0536 0.3972 0.3972 4.6765 4.6765 4.6765 4.6765 5.1344 5.1344 5.1586 5.1586 6.4991 6.4991 6.6902 6.6902 6.9396 6.9396 7.0036 7.0036 7.0597 7.0597 7.0678 7.0678 7.1377 7.1377 7.1876 7.1876 16.1323 16.1323 16.1436 16.1436 16.7791 16.7791 16.8163 16.8163 17.4446 17.4446 k = 0.3200 0.5543 0.3856 ( 3486 PWs) bands (ev): -15.5576 -15.5576 -15.5576 -15.5575 -13.2431 -13.2431 -13.2310 -13.2310 -11.7130 -11.7130 -11.7088 -11.7088 -2.5212 -2.5212 -2.1252 -2.1252 -0.8673 -0.8673 -0.7345 -0.7345 -0.0551 -0.0551 0.3937 0.3937 4.6797 4.6797 4.6798 4.6798 5.1360 5.1360 5.1597 5.1597 6.4955 6.4955 6.6872 6.6872 6.9414 6.9414 7.0023 7.0023 7.0580 7.0580 7.0652 7.0652 7.1378 7.1378 7.1864 7.1864 16.1311 16.1311 16.1422 16.1422 16.7781 16.7781 16.8146 16.8146 17.4468 17.4468 k = 0.3133 0.5427 0.3856 ( 3492 PWs) bands (ev): -15.5594 -15.5594 -15.5593 -15.5593 -13.2410 -13.2410 -13.2290 -13.2290 -11.7123 -11.7123 -11.7081 -11.7081 -2.5197 -2.5197 -2.1269 -2.1269 -0.8646 -0.8646 -0.7335 -0.7335 -0.0575 -0.0575 0.3879 0.3879 4.6849 4.6849 4.6854 4.6854 5.1385 5.1385 5.1612 5.1612 6.4893 6.4893 6.6817 6.6817 6.9443 6.9443 6.9999 6.9999 7.0560 7.0560 7.0615 7.0615 7.1376 7.1376 7.1841 7.1841 16.1290 16.1290 16.1397 16.1397 16.7764 16.7764 16.8117 16.8117 17.4516 17.4516 k = 0.3067 0.5312 0.3856 ( 3496 PWs) bands (ev): -15.5619 -15.5619 -15.5619 -15.5619 -13.2380 -13.2380 -13.2261 -13.2261 -11.7111 -11.7111 -11.7070 -11.7070 -2.5177 -2.5177 -2.1291 -2.1291 -0.8610 -0.8610 -0.7320 -0.7320 -0.0610 -0.0610 0.3799 0.3799 4.6922 4.6922 4.6930 4.6930 5.1418 5.1418 5.1633 5.1633 6.4805 6.4805 6.6736 6.6736 6.9485 6.9485 6.9965 6.9965 7.0541 7.0541 7.0569 7.0569 7.1369 7.1369 7.1805 7.1805 16.1261 16.1261 16.1362 16.1362 16.7740 16.7740 16.8076 16.8076 17.4597 17.4597 k = 0.3000 0.5196 0.3856 ( 3496 PWs) bands (ev): -15.5652 -15.5652 -15.5652 -15.5652 -13.2340 -13.2340 -13.2223 -13.2223 -11.7097 -11.7097 -11.7057 -11.7057 -2.5151 -2.5151 -2.1319 -2.1319 -0.8564 -0.8564 -0.7302 -0.7302 -0.0654 -0.0654 0.3698 0.3698 4.7014 4.7014 4.7026 4.7026 5.1459 5.1459 5.1658 5.1658 6.4687 6.4687 6.6624 6.6624 6.9540 6.9540 6.9924 6.9924 7.0517 7.0517 7.0525 7.0525 7.1359 7.1359 7.1756 7.1756 16.1223 16.1223 16.1318 16.1318 16.7708 16.7708 16.8023 16.8023 17.4715 17.4715 k = 0.2933 0.5081 0.3856 ( 3496 PWs) bands (ev): -15.5694 -15.5694 -15.5694 -15.5694 -13.2290 -13.2290 -13.2175 -13.2175 -11.7080 -11.7080 -11.7040 -11.7040 -2.5119 -2.5119 -2.1352 -2.1352 -0.8507 -0.8507 -0.7278 -0.7278 -0.0708 -0.0708 0.3577 0.3577 4.7124 4.7124 4.7140 4.7140 5.1507 5.1507 5.1686 5.1686 6.4539 6.4539 6.6477 6.6477 6.9608 6.9608 6.9882 6.9882 7.0461 7.0461 7.0507 7.0507 7.1348 7.1348 7.1691 7.1691 16.1178 16.1178 16.1266 16.1266 16.7670 16.7670 16.7960 16.7960 17.4873 17.4873 k = 0.2867 0.4965 0.3856 ( 3496 PWs) bands (ev): -15.5744 -15.5744 -15.5744 -15.5744 -13.2229 -13.2229 -13.2117 -13.2117 -11.7059 -11.7059 -11.7021 -11.7021 -2.5082 -2.5082 -2.1390 -2.1390 -0.8442 -0.8442 -0.7250 -0.7250 -0.0771 -0.0771 0.3436 0.3436 4.7252 4.7252 4.7272 4.7272 5.1562 5.1562 5.1719 5.1719 6.4360 6.4360 6.6293 6.6293 6.9689 6.9689 6.9844 6.9844 7.0402 7.0402 7.0480 7.0480 7.1341 7.1341 7.1614 7.1614 16.1128 16.1128 16.1206 16.1206 16.7625 16.7625 16.7890 16.7890 17.5072 17.5072 k = 0.2800 0.4850 0.3856 ( 3492 PWs) bands (ev): -15.5803 -15.5803 -15.5803 -15.5803 -13.2158 -13.2158 -13.2049 -13.2049 -11.7036 -11.7036 -11.6999 -11.6999 -2.5040 -2.5040 -2.1431 -2.1431 -0.8367 -0.8367 -0.7218 -0.7218 -0.0842 -0.0842 0.3279 0.3279 4.7395 4.7395 4.7418 4.7418 5.1622 5.1622 5.1755 5.1755 6.4150 6.4150 6.6069 6.6069 6.9781 6.9781 6.9815 6.9815 7.0341 7.0341 7.0438 7.0438 7.1343 7.1343 7.1524 7.1524 16.1073 16.1073 16.1142 16.1142 16.7576 16.7576 16.7813 16.7813 17.5313 17.5313 k = 0.2733 0.4734 0.3856 ( 3492 PWs) bands (ev): -15.5870 -15.5870 -15.5870 -15.5870 -13.2076 -13.2076 -13.1969 -13.1969 -11.7011 -11.7011 -11.6974 -11.6974 -2.4993 -2.4993 -2.1477 -2.1477 -0.8284 -0.8284 -0.7181 -0.7181 -0.0921 -0.0921 0.3105 0.3105 4.7551 4.7551 4.7577 4.7577 5.1689 5.1689 5.1794 5.1794 6.3908 6.3908 6.5806 6.5806 6.9795 6.9795 6.9884 6.9884 7.0277 7.0277 7.0376 7.0376 7.1361 7.1361 7.1427 7.1427 16.1015 16.1015 16.1075 16.1075 16.7524 16.7524 16.7732 16.7732 17.5593 17.5593 k = 0.2667 0.4619 0.3856 ( 3484 PWs) bands (ev): -15.5946 -15.5946 -15.5945 -15.5945 -13.1982 -13.1982 -13.1879 -13.1879 -11.6983 -11.6983 -11.6947 -11.6947 -2.4942 -2.4942 -2.1525 -2.1525 -0.8193 -0.8193 -0.7140 -0.7140 -0.1007 -0.1007 0.2917 0.2917 4.7720 4.7720 4.7746 4.7746 5.1761 5.1761 5.1837 5.1837 6.3637 6.3637 6.5503 6.5503 6.9782 6.9782 6.9988 6.9988 7.0213 7.0213 7.0294 7.0294 7.1327 7.1327 7.1397 7.1397 16.0957 16.0957 16.1007 16.1007 16.7468 16.7468 16.7649 16.7649 17.5911 17.5911 k = 0.2600 0.4503 0.3856 ( 3496 PWs) bands (ev): -15.6030 -15.6030 -15.6029 -15.6029 -13.1878 -13.1878 -13.1779 -13.1779 -11.6952 -11.6952 -11.6918 -11.6918 -2.4886 -2.4886 -2.1576 -2.1576 -0.8094 -0.8094 -0.7094 -0.7094 -0.1098 -0.1098 0.2715 0.2715 4.7898 4.7898 4.7923 4.7923 5.1838 5.1838 5.1883 5.1883 6.3336 6.3336 6.5163 6.5163 6.9765 6.9765 7.0037 7.0037 7.0201 7.0201 7.0203 7.0203 7.1232 7.1232 7.1451 7.1451 16.0900 16.0900 16.0941 16.0941 16.7412 16.7412 16.7566 16.7566 17.6265 17.6265 k = 0.2533 0.4388 0.3856 ( 3496 PWs) bands (ev): -15.6121 -15.6121 -15.6121 -15.6121 -13.1763 -13.1763 -13.1668 -13.1668 -11.6920 -11.6920 -11.6887 -11.6887 -2.4826 -2.4826 -2.1629 -2.1629 -0.7988 -0.7988 -0.7044 -0.7044 -0.1196 -0.1196 0.2503 0.2503 4.8084 4.8084 4.8106 4.8106 5.1920 5.1920 5.1933 5.1933 6.3007 6.3007 6.4788 6.4788 6.9721 6.9721 6.9960 6.9960 7.0126 7.0126 7.0303 7.0303 7.1149 7.1149 7.1522 7.1522 16.0848 16.0848 16.0879 16.0879 16.7355 16.7355 16.7484 16.7484 17.6651 17.6651 k = 0.2467 0.4272 0.3856 ( 3492 PWs) bands (ev): -15.6221 -15.6221 -15.6220 -15.6220 -13.1638 -13.1638 -13.1546 -13.1546 -11.6885 -11.6885 -11.6854 -11.6854 -2.4762 -2.4762 -2.1684 -2.1684 -0.7875 -0.7875 -0.6990 -0.6990 -0.1297 -0.1297 0.2281 0.2281 4.8274 4.8274 4.8292 4.8292 5.1987 5.1987 5.2008 5.2008 6.2653 6.2653 6.4381 6.4381 6.9621 6.9621 6.9831 6.9831 7.0094 7.0094 7.0437 7.0437 7.1089 7.1089 7.1608 7.1608 16.0801 16.0801 16.0824 16.0824 16.7298 16.7298 16.7403 16.7403 17.7067 17.7067 k = 0.2400 0.4157 0.3856 ( 3492 PWs) bands (ev): -15.6328 -15.6328 -15.6327 -15.6327 -13.1502 -13.1502 -13.1415 -13.1415 -11.6849 -11.6849 -11.6819 -11.6819 -2.4694 -2.4694 -2.1741 -2.1741 -0.7756 -0.7756 -0.6931 -0.6931 -0.1402 -0.1402 0.2050 0.2050 4.8467 4.8467 4.8478 4.8478 5.2045 5.2045 5.2100 5.2100 6.2276 6.2276 6.3945 6.3945 6.9466 6.9466 6.9668 6.9668 7.0108 7.0108 7.0574 7.0574 7.1059 7.1059 7.1707 7.1707 16.0762 16.0762 16.0777 16.0777 16.7242 16.7242 16.7326 16.7326 17.7509 17.7509 k = 0.2333 0.4041 0.3856 ( 3486 PWs) bands (ev): -15.6441 -15.6441 -15.6440 -15.6440 -13.1357 -13.1357 -13.1274 -13.1274 -11.6811 -11.6811 -11.6783 -11.6783 -2.4623 -2.4623 -2.1798 -2.1798 -0.7632 -0.7632 -0.6869 -0.6869 -0.1510 -0.1510 0.1814 0.1814 4.8660 4.8660 4.8663 4.8663 5.2107 5.2107 5.2196 5.2196 6.1877 6.1877 6.3484 6.3484 6.9275 6.9275 6.9479 6.9479 7.0150 7.0150 7.0698 7.0698 7.1072 7.1072 7.1816 7.1816 16.0732 16.0732 16.0740 16.0740 16.7188 16.7188 16.7252 16.7252 17.7976 17.7976 k = 0.2267 0.3926 0.3856 ( 3478 PWs) bands (ev): -15.6561 -15.6561 -15.6560 -15.6560 -13.1203 -13.1203 -13.1123 -13.1123 -11.6772 -11.6772 -11.6745 -11.6745 -2.4549 -2.4549 -2.1856 -2.1856 -0.7502 -0.7502 -0.6803 -0.6803 -0.1619 -0.1619 0.1572 0.1572 4.8845 4.8845 4.8851 4.8851 5.2174 5.2174 5.2294 5.2294 6.1459 6.1459 6.3000 6.3000 6.9063 6.9063 6.9266 6.9266 7.0207 7.0207 7.0788 7.0788 7.1143 7.1143 7.1934 7.1934 16.0714 16.0714 16.0714 16.0714 16.7135 16.7135 16.7182 16.7182 17.8463 17.8463 k = 0.2200 0.3811 0.3856 ( 3494 PWs) bands (ev): -15.6686 -15.6686 -15.6685 -15.6685 -13.1040 -13.1040 -13.0965 -13.0965 -11.6732 -11.6732 -11.6707 -11.6707 -2.4473 -2.4473 -2.1914 -2.1914 -0.7368 -0.7368 -0.6733 -0.6733 -0.1729 -0.1729 0.1327 0.1327 4.9021 4.9021 4.9036 4.9036 5.2245 5.2245 5.2394 5.2394 6.1025 6.1025 6.2496 6.2496 6.8836 6.8836 6.9035 6.9035 7.0275 7.0275 7.0845 7.0845 7.1269 7.1269 7.2059 7.2059 16.0702 16.0702 16.0707 16.0707 16.7086 16.7086 16.7116 16.7116 17.8968 17.8968 k = 0.2133 0.3695 0.3856 ( 3494 PWs) bands (ev): -15.6817 -15.6817 -15.6816 -15.6816 -13.0869 -13.0869 -13.0798 -13.0798 -11.6690 -11.6690 -11.6667 -11.6667 -2.4394 -2.4394 -2.1972 -2.1972 -0.7230 -0.7230 -0.6659 -0.6659 -0.1840 -0.1840 0.1080 0.1080 4.9190 4.9190 4.9215 4.9215 5.2319 5.2319 5.2494 5.2494 6.0578 6.0578 6.1975 6.1975 6.8601 6.8601 6.8793 6.8793 7.0348 7.0348 7.0887 7.0887 7.1426 7.1426 7.2190 7.2190 16.0705 16.0705 16.0715 16.0715 16.7038 16.7038 16.7054 16.7054 17.9488 17.9488 k = 0.2067 0.3580 0.3856 ( 3494 PWs) bands (ev): -15.6952 -15.6952 -15.6951 -15.6951 -13.0691 -13.0691 -13.0624 -13.0624 -11.6648 -11.6648 -11.6626 -11.6626 -2.4313 -2.4313 -2.2030 -2.2030 -0.7088 -0.7088 -0.6582 -0.6582 -0.1950 -0.1950 0.0832 0.0832 4.9351 4.9351 4.9385 4.9385 5.2396 5.2396 5.2591 5.2591 6.0120 6.0120 6.1438 6.1438 6.8363 6.8363 6.8543 6.8543 7.0426 7.0426 7.0927 7.0927 7.1596 7.1596 7.2324 7.2324 16.0722 16.0722 16.0736 16.0736 16.6994 16.6994 16.6997 16.6997 18.0020 18.0020 k = 0.2000 0.3464 0.3856 ( 3490 PWs) bands (ev): -15.7091 -15.7091 -15.7090 -15.7090 -13.0506 -13.0506 -13.0444 -13.0444 -11.6605 -11.6605 -11.6585 -11.6585 -2.4231 -2.4231 -2.2087 -2.2087 -0.6944 -0.6944 -0.6501 -0.6501 -0.2058 -0.2058 0.0585 0.0585 4.9504 4.9504 4.9545 4.9545 5.2474 5.2474 5.2683 5.2683 5.9654 5.9654 6.0890 6.0890 6.8126 6.8126 6.8292 6.8292 7.0507 7.0507 7.0971 7.0971 7.1772 7.1772 7.2460 7.2460 16.0756 16.0756 16.0773 16.0773 16.6944 16.6944 16.6952 16.6952 18.0561 18.0561 k = 0.1933 0.3349 0.3856 ( 3490 PWs) bands (ev): -15.7233 -15.7233 -15.7232 -15.7232 -13.0316 -13.0316 -13.0258 -13.0258 -11.6562 -11.6562 -11.6543 -11.6543 -2.4148 -2.4148 -2.2143 -2.2143 -0.6796 -0.6796 -0.6417 -0.6417 -0.2165 -0.2165 0.0340 0.0340 4.9648 4.9648 4.9693 4.9693 5.2553 5.2553 5.2766 5.2766 5.9182 5.9182 6.0333 6.0333 6.7895 6.7895 6.8044 6.8044 7.0590 7.0590 7.1018 7.1018 7.1950 7.1950 7.2597 7.2597 16.0806 16.0806 16.0826 16.0826 16.6895 16.6895 16.6913 16.6913 18.1107 18.1107 k = 0.1867 0.3233 0.3856 ( 3478 PWs) bands (ev): -15.7378 -15.7378 -15.7377 -15.7377 -13.0121 -13.0121 -13.0068 -13.0068 -11.6518 -11.6518 -11.6501 -11.6501 -2.4064 -2.4064 -2.2198 -2.2198 -0.6647 -0.6647 -0.6330 -0.6330 -0.2270 -0.2270 0.0097 0.0097 4.9782 4.9782 4.9829 4.9829 5.2628 5.2628 5.2838 5.2838 5.8708 5.8708 5.9768 5.9768 6.7672 6.7672 6.7803 6.7803 7.0675 7.0675 7.1070 7.1070 7.2126 7.2126 7.2733 7.2733 16.0872 16.0872 16.0895 16.0895 16.6851 16.6851 16.6877 16.6877 18.1656 18.1656 k = 0.1800 0.3118 0.3856 ( 3478 PWs) bands (ev): -15.7525 -15.7525 -15.7523 -15.7523 -12.9922 -12.9922 -12.9873 -12.9873 -11.6475 -11.6475 -11.6459 -11.6459 -2.3981 -2.3981 -2.2252 -2.2252 -0.6496 -0.6496 -0.6240 -0.6240 -0.2371 -0.2371 -0.0142 -0.0142 4.9907 4.9907 4.9952 4.9952 5.2699 5.2699 5.2893 5.2893 5.8234 5.8234 5.9199 5.9199 6.7463 6.7463 6.7576 6.7576 7.0760 7.0760 7.1126 7.1126 7.2297 7.2297 7.2865 7.2865 16.0956 16.0956 16.0980 16.0980 16.6810 16.6810 16.6844 16.6844 18.2203 18.2203 k = 0.1733 0.3002 0.3856 ( 3484 PWs) bands (ev): -15.7672 -15.7672 -15.7671 -15.7671 -12.9721 -12.9721 -12.9675 -12.9675 -11.6431 -11.6431 -11.6416 -11.6416 -2.3897 -2.3897 -2.2304 -2.2304 -0.6345 -0.6345 -0.6148 -0.6148 -0.2469 -0.2469 -0.0375 -0.0375 5.0022 5.0022 5.0062 5.0062 5.2762 5.2762 5.2930 5.2930 5.7764 5.7764 5.8628 5.8628 6.7270 6.7270 6.7365 6.7365 7.0846 7.0846 7.1184 7.1184 7.2464 7.2464 7.2993 7.2993 16.1057 16.1057 16.1081 16.1081 16.6774 16.6774 16.6814 16.6814 18.2746 18.2746 k = 0.1667 0.2887 0.3856 ( 3484 PWs) bands (ev): -15.7821 -15.7821 -15.7819 -15.7819 -12.9517 -12.9517 -12.9476 -12.9476 -11.6388 -11.6388 -11.6374 -11.6374 -2.3815 -2.3815 -2.2354 -2.2354 -0.6192 -0.6192 -0.6052 -0.6052 -0.2563 -0.2563 -0.0604 -0.0604 5.0128 5.0128 5.0158 5.0158 5.2816 5.2816 5.2942 5.2942 5.7301 5.7301 5.8058 5.8058 6.7098 6.7098 6.7175 6.7175 7.0933 7.0933 7.1246 7.1246 7.2622 7.2622 7.3115 7.3115 16.1174 16.1174 16.1199 16.1199 16.6741 16.6741 16.6786 16.6786 18.3279 18.3279 k = 0.1600 0.2771 0.3856 ( 3484 PWs) bands (ev): -15.7969 -15.7969 -15.7967 -15.7967 -12.9312 -12.9312 -12.9275 -12.9275 -11.6345 -11.6345 -11.6333 -11.6333 -2.3734 -2.3734 -2.2403 -2.2403 -0.6040 -0.6040 -0.5954 -0.5954 -0.2654 -0.2654 -0.0825 -0.0825 5.0224 5.0224 5.0242 5.0242 5.2857 5.2857 5.2928 5.2928 5.6847 5.6847 5.7491 5.7491 6.6949 6.6949 6.7009 6.7009 7.1019 7.1019 7.1310 7.1310 7.2773 7.2773 7.3230 7.3230 16.1308 16.1308 16.1332 16.1332 16.6711 16.6711 16.6760 16.6760 18.3796 18.3796 k = 0.1533 0.2656 0.3856 ( 3488 PWs) bands (ev): -15.8116 -15.8116 -15.8115 -15.8115 -12.9107 -12.9107 -12.9073 -12.9073 -11.6302 -11.6302 -11.6291 -11.6291 -2.3655 -2.3655 -2.2449 -2.2449 -0.5888 -0.5888 -0.5854 -0.5854 -0.2740 -0.2740 -0.1040 -0.1040 5.0310 5.0310 5.0311 5.0311 5.2883 5.2883 5.2885 5.2885 5.6407 5.6407 5.6930 5.6930 6.6827 6.6827 6.6871 6.6871 7.1105 7.1105 7.1376 7.1376 7.2913 7.2913 7.3337 7.3337 16.1459 16.1459 16.1482 16.1482 16.6684 16.6684 16.6736 16.6736 18.4281 18.4281 k = 0.1467 0.2540 0.3856 ( 3484 PWs) bands (ev): -15.8261 -15.8261 -15.8260 -15.8260 -12.8903 -12.8903 -12.8873 -12.8873 -11.6260 -11.6260 -11.6251 -11.6251 -2.3578 -2.3578 -2.2493 -2.2493 -0.5751 -0.5751 -0.5738 -0.5738 -0.2822 -0.2822 -0.1247 -0.1247 5.0367 5.0367 5.0386 5.0386 5.2810 5.2810 5.2893 5.2893 5.5983 5.5983 5.6378 5.6378 6.6733 6.6733 6.6764 6.6764 7.1191 7.1191 7.1442 7.1442 7.3042 7.3042 7.3434 7.3434 16.1625 16.1625 16.1647 16.1647 16.6660 16.6660 16.6715 16.6715 18.4680 18.4680 k = 0.1400 0.2425 0.3856 ( 3484 PWs) bands (ev): -15.8405 -15.8405 -15.8404 -15.8404 -12.8701 -12.8701 -12.8673 -12.8673 -11.6219 -11.6219 -11.6211 -11.6211 -2.3504 -2.3504 -2.2535 -2.2535 -0.5646 -0.5646 -0.5589 -0.5589 -0.2899 -0.2899 -0.1446 -0.1446 5.0408 5.0408 5.0450 5.0450 5.2702 5.2702 5.2887 5.2887 5.5580 5.5580 5.5840 5.5840 6.6668 6.6668 6.6687 6.6687 7.1276 7.1276 7.1509 7.1509 7.3160 7.3160 7.3520 7.3520 16.1807 16.1807 16.1828 16.1828 16.6638 16.6638 16.6694 16.6694 18.4699 18.4699 k = 0.1333 0.2309 0.3856 ( 3496 PWs) bands (ev): -15.8546 -15.8546 -15.8545 -15.8545 -12.8501 -12.8501 -12.8477 -12.8477 -11.6179 -11.6179 -11.6172 -11.6172 -2.3433 -2.3433 -2.2575 -2.2575 -0.5540 -0.5540 -0.5443 -0.5443 -0.2971 -0.2971 -0.1637 -0.1637 5.0434 5.0434 5.0501 5.0501 5.2562 5.2562 5.2861 5.2861 5.5200 5.5200 5.5318 5.5318 6.6633 6.6633 6.6643 6.6643 7.1360 7.1360 7.1576 7.1576 7.3266 7.3266 7.3596 7.3596 16.2004 16.2004 16.2023 16.2023 16.6618 16.6618 16.6674 16.6674 18.4367 18.4367 k = 0.1267 0.2194 0.3856 ( 3488 PWs) bands (ev): -15.8684 -15.8684 -15.8683 -15.8683 -12.8304 -12.8304 -12.8283 -12.8283 -11.6140 -11.6140 -11.6133 -11.6133 -2.3365 -2.3365 -2.2611 -2.2611 -0.5432 -0.5432 -0.5300 -0.5300 -0.3039 -0.3039 -0.1818 -0.1818 5.0443 5.0443 5.0538 5.0538 5.2391 5.2391 5.2815 5.2815 5.4820 5.4820 5.4846 5.4846 6.6628 6.6628 6.6632 6.6632 7.1442 7.1442 7.1643 7.1643 7.3359 7.3359 7.3659 7.3659 16.2215 16.2215 16.2231 16.2231 16.6600 16.6600 16.6656 16.6656 18.3998 18.3998 k = 0.1200 0.2078 0.3856 ( 3484 PWs) bands (ev): -15.8817 -15.8817 -15.8817 -15.8817 -12.8112 -12.8112 -12.8094 -12.8094 -11.6102 -11.6102 -11.6096 -11.6096 -2.3301 -2.3301 -2.2645 -2.2645 -0.5322 -0.5322 -0.5160 -0.5160 -0.3102 -0.3102 -0.1991 -0.1991 5.0435 5.0435 5.0558 5.0558 5.2195 5.2195 5.2744 5.2744 5.4354 5.4354 5.4521 5.4521 6.6651 6.6651 6.6653 6.6653 7.1522 7.1522 7.1708 7.1708 7.3438 7.3438 7.3711 7.3711 16.2439 16.2439 16.2453 16.2453 16.6582 16.6582 16.6637 16.6637 18.3613 18.3613 k = 0.1133 0.1963 0.3856 ( 3482 PWs) bands (ev): -15.8947 -15.8947 -15.8946 -15.8946 -12.7925 -12.7925 -12.7910 -12.7910 -11.6065 -11.6065 -11.6060 -11.6060 -2.3241 -2.3241 -2.2677 -2.2677 -0.5212 -0.5212 -0.5025 -0.5025 -0.3160 -0.3160 -0.2154 -0.2154 5.0408 5.0408 5.0557 5.0557 5.1978 5.1978 5.2637 5.2637 5.3937 5.3937 5.4226 5.4226 6.6700 6.6700 6.6705 6.6705 7.1600 7.1600 7.1771 7.1771 7.3505 7.3505 7.3751 7.3751 16.2675 16.2675 16.2686 16.2686 16.6566 16.6566 16.6620 16.6620 18.3222 18.3222 k = 0.1067 0.1848 0.3856 ( 3480 PWs) bands (ev): -15.9072 -15.9072 -15.9071 -15.9071 -12.7745 -12.7745 -12.7731 -12.7731 -11.6030 -11.6030 -11.6025 -11.6025 -2.3186 -2.3186 -2.2705 -2.2705 -0.5102 -0.5102 -0.4895 -0.4895 -0.3213 -0.3213 -0.2309 -0.2309 5.0362 5.0362 5.0533 5.0533 5.1748 5.1748 5.2477 5.2477 5.3590 5.3590 5.3963 5.3963 6.6775 6.6775 6.6783 6.6783 7.1674 7.1674 7.1831 7.1831 7.3558 7.3558 7.3779 7.3779 16.2921 16.2921 16.2929 16.2929 16.6550 16.6550 16.6602 16.6602 18.2833 18.2833 k = 0.1000 0.1732 0.3856 ( 3476 PWs) bands (ev): -15.9191 -15.9191 -15.9191 -15.9191 -12.7571 -12.7571 -12.7560 -12.7560 -11.5996 -11.5996 -11.5992 -11.5992 -2.3135 -2.3135 -2.2731 -2.2731 -0.4991 -0.4991 -0.4770 -0.4770 -0.3262 -0.3262 -0.2454 -0.2454 5.0297 5.0297 5.0481 5.0481 5.1513 5.1513 5.2248 5.2248 5.3336 5.3336 5.3732 5.3732 6.6875 6.6875 6.6884 6.6884 7.1745 7.1745 7.1887 7.1887 7.3599 7.3599 7.3794 7.3794 16.3176 16.3176 16.3182 16.3182 16.6535 16.6535 16.6584 16.6584 18.2451 18.2451 k = 0.0933 0.1617 0.3856 ( 3472 PWs) bands (ev): -15.9305 -15.9305 -15.9304 -15.9304 -12.7404 -12.7404 -12.7395 -12.7395 -11.5963 -11.5963 -11.5960 -11.5960 -2.3088 -2.3088 -2.2754 -2.2754 -0.4881 -0.4881 -0.4652 -0.4652 -0.3306 -0.3306 -0.2590 -0.2590 5.0213 5.0213 5.0398 5.0398 5.1281 5.1281 5.1958 5.1958 5.3170 5.3170 5.3533 5.3533 6.6996 6.6996 6.7005 6.7005 7.1811 7.1811 7.1939 7.1939 7.3627 7.3627 7.3799 7.3799 16.3438 16.3438 16.3441 16.3441 16.6521 16.6521 16.6567 16.6567 18.2083 18.2083 k = 0.0867 0.1501 0.3856 ( 3464 PWs) bands (ev): -15.9412 -15.9412 -15.9412 -15.9412 -12.7246 -12.7246 -12.7239 -12.7239 -11.5933 -11.5933 -11.5930 -11.5930 -2.3046 -2.3046 -2.2774 -2.2774 -0.4772 -0.4772 -0.4541 -0.4541 -0.3345 -0.3345 -0.2716 -0.2716 5.0111 5.0111 5.0283 5.0283 5.1059 5.1059 5.1638 5.1638 5.3066 5.3066 5.3368 5.3368 6.7135 6.7135 6.7143 6.7143 7.1872 7.1872 7.1986 7.1986 7.3645 7.3645 7.3793 7.3793 16.3705 16.3705 16.3706 16.3706 16.6507 16.6507 16.6549 16.6549 18.1731 18.1731 k = 0.0800 0.1386 0.3856 ( 3460 PWs) bands (ev): -15.9514 -15.9514 -15.9513 -15.9513 -12.7097 -12.7097 -12.7091 -12.7091 -11.5904 -11.5904 -11.5902 -11.5902 -2.3009 -2.3009 -2.2792 -2.2792 -0.4665 -0.4665 -0.4437 -0.4437 -0.3380 -0.3380 -0.2834 -0.2834 4.9993 4.9993 5.0139 5.0139 5.0848 5.0848 5.1314 5.1314 5.2998 5.2998 5.3234 5.3234 6.7287 6.7287 6.7295 6.7295 7.1927 7.1927 7.2026 7.2026 7.3652 7.3652 7.3779 7.3779 16.3972 16.3972 16.3974 16.3974 16.6494 16.6494 16.6533 16.6533 18.1398 18.1398 k = 0.0733 0.1270 0.3856 ( 3460 PWs) bands (ev): -15.9608 -15.9608 -15.9608 -15.9608 -12.6958 -12.6958 -12.6953 -12.6953 -11.5877 -11.5877 -11.5875 -11.5875 -2.2977 -2.2977 -2.2807 -2.2807 -0.4560 -0.4560 -0.4342 -0.4342 -0.3410 -0.3410 -0.2943 -0.2943 4.9862 4.9862 4.9974 4.9974 5.0650 5.0650 5.1003 5.1003 5.2954 5.2954 5.3130 5.3130 6.7451 6.7451 6.7458 6.7458 7.1975 7.1975 7.2060 7.2060 7.3650 7.3650 7.3756 7.3756 16.4237 16.4237 16.4242 16.4242 16.6483 16.6483 16.6518 16.6518 18.1087 18.1087 k = 0.0667 0.1155 0.3856 ( 3456 PWs) bands (ev): -15.9695 -15.9695 -15.9695 -15.9695 -12.6829 -12.6829 -12.6825 -12.6825 -11.5852 -11.5852 -11.5851 -11.5851 -2.2948 -2.2948 -2.2819 -2.2819 -0.4458 -0.4458 -0.4255 -0.4255 -0.3436 -0.3436 -0.3043 -0.3043 4.9721 4.9721 4.9797 4.9797 5.0463 5.0463 5.0714 5.0714 5.2926 5.2926 5.3051 5.3051 6.7621 6.7621 6.7627 6.7627 7.2014 7.2014 7.2085 7.2085 7.3641 7.3641 7.3727 7.3727 16.4498 16.4498 16.4504 16.4504 16.6474 16.6474 16.6505 16.6505 18.0799 18.0799 k = 0.0600 0.1039 0.3856 ( 3460 PWs) bands (ev): -15.9775 -15.9775 -15.9775 -15.9775 -12.6710 -12.6710 -12.6707 -12.6707 -11.5829 -11.5829 -11.5828 -11.5828 -2.2924 -2.2924 -2.2829 -2.2829 -0.4359 -0.4359 -0.4176 -0.4176 -0.3459 -0.3459 -0.3135 -0.3135 4.9573 4.9573 4.9618 4.9618 5.0284 5.0284 5.0453 5.0453 5.2907 5.2907 5.2993 5.2993 6.7795 6.7795 6.7800 6.7800 7.2045 7.2045 7.2102 7.2102 7.3627 7.3627 7.3695 7.3695 16.4750 16.4750 16.4758 16.4758 16.6468 16.6468 16.6495 16.6495 18.0536 18.0536 k = 0.0533 0.0924 0.3856 ( 3460 PWs) bands (ev): -15.9847 -15.9847 -15.9847 -15.9847 -12.6603 -12.6603 -12.6601 -12.6601 -11.5808 -11.5808 -11.5808 -11.5808 -2.2905 -2.2905 -2.2837 -2.2837 -0.4266 -0.4266 -0.4107 -0.4107 -0.3478 -0.3478 -0.3219 -0.3219 4.9423 4.9423 4.9445 4.9445 5.0115 5.0115 5.0221 5.0221 5.2896 5.2896 5.2953 5.2953 6.7968 6.7968 6.7972 6.7972 7.2067 7.2067 7.2111 7.2111 7.3609 7.3609 7.3660 7.3660 16.4988 16.4988 16.4996 16.4996 16.6468 16.6468 16.6491 16.6491 18.0299 18.0299 k = 0.0467 0.0808 0.3856 ( 3448 PWs) bands (ev): -15.9911 -15.9911 -15.9911 -15.9911 -12.6507 -12.6507 -12.6506 -12.6506 -11.5790 -11.5790 -11.5789 -11.5789 -2.2888 -2.2888 -2.2843 -2.2843 -0.4177 -0.4177 -0.4045 -0.4045 -0.3495 -0.3495 -0.3295 -0.3295 4.9276 4.9276 4.9284 4.9284 4.9958 4.9958 5.0020 5.0020 5.2890 5.2890 5.2927 5.2927 6.8137 6.8137 6.8140 6.8140 7.2079 7.2079 7.2111 7.2111 7.3589 7.3589 7.3625 7.3625 16.5206 16.5206 16.5214 16.5214 16.6474 16.6474 16.6492 16.6492 18.0088 18.0088 k = 0.0400 0.0693 0.3856 ( 3440 PWs) bands (ev): -15.9967 -15.9967 -15.9967 -15.9967 -12.6423 -12.6423 -12.6422 -12.6422 -11.5773 -11.5773 -11.5773 -11.5773 -2.2875 -2.2875 -2.2846 -2.2846 -0.4094 -0.4094 -0.3991 -0.3991 -0.3510 -0.3510 -0.3364 -0.3364 4.9138 4.9138 4.9138 4.9138 4.9815 4.9815 4.9848 4.9848 5.2888 5.2888 5.2909 5.2909 6.8297 6.8297 6.8300 6.8300 7.2082 7.2082 7.2104 7.2104 7.3569 7.3569 7.3593 7.3593 16.5399 16.5399 16.5406 16.5406 16.6489 16.6489 16.6503 16.6503 17.9905 17.9905 k = 0.0333 0.0577 0.3856 ( 3440 PWs) bands (ev): -16.0015 -16.0015 -16.0015 -16.0015 -12.6352 -12.6352 -12.6351 -12.6351 -11.5759 -11.5759 -11.5759 -11.5759 -2.2866 -2.2866 -2.2849 -2.2849 -0.4019 -0.4019 -0.3945 -0.3945 -0.3524 -0.3524 -0.3425 -0.3425 4.9011 4.9011 4.9013 4.9013 4.9689 4.9689 4.9705 4.9705 5.2887 5.2887 5.2899 5.2899 6.8444 6.8444 6.8446 6.8446 7.2077 7.2077 7.2090 7.2090 7.3550 7.3550 7.3564 7.3564 16.5560 16.5560 16.5565 16.5565 16.6514 16.6514 16.6524 16.6524 17.9749 17.9749 k = 0.0267 0.0462 0.3856 ( 3440 PWs) bands (ev): -16.0054 -16.0054 -16.0054 -16.0054 -12.6293 -12.6293 -12.6293 -12.6293 -11.5748 -11.5748 -11.5748 -11.5748 -2.2859 -2.2859 -2.2850 -2.2850 -0.3952 -0.3952 -0.3905 -0.3905 -0.3538 -0.3538 -0.3478 -0.3478 4.8904 4.8904 4.8906 4.8906 4.9582 4.9582 4.9589 4.9589 5.2888 5.2888 5.2894 5.2894 6.8573 6.8573 6.8574 6.8574 7.2066 7.2066 7.2073 7.2073 7.3533 7.3533 7.3541 7.3541 16.5685 16.5685 16.5688 16.5688 16.6549 16.6549 16.6555 16.6555 17.9621 17.9621 k = 0.0200 0.0346 0.3856 ( 3432 PWs) bands (ev): -16.0084 -16.0084 -16.0084 -16.0084 -12.6247 -12.6247 -12.6247 -12.6247 -11.5739 -11.5739 -11.5739 -11.5739 -2.2854 -2.2854 -2.2850 -2.2850 -0.3895 -0.3895 -0.3870 -0.3870 -0.3553 -0.3553 -0.3522 -0.3522 4.8818 4.8818 4.8820 4.8820 4.9497 4.9497 4.9499 4.9499 5.2889 5.2889 5.2892 5.2892 6.8680 6.8680 6.8680 6.8680 7.2052 7.2052 7.2055 7.2055 7.3519 7.3519 7.3522 7.3522 16.5775 16.5775 16.5776 16.5776 16.6589 16.6589 16.6591 16.6591 17.9521 17.9522 k = 0.0133 0.0231 0.3856 ( 3450 PWs) bands (ev): -16.0106 -16.0106 -16.0106 -16.0106 -12.6214 -12.6214 -12.6214 -12.6214 -11.5733 -11.5733 -11.5733 -11.5733 -2.2851 -2.2851 -2.2850 -2.2850 -0.3851 -0.3851 -0.3842 -0.3842 -0.3568 -0.3568 -0.3557 -0.3557 4.8756 4.8756 4.8757 4.8757 4.9435 4.9435 4.9435 4.9435 5.2890 5.2890 5.2891 5.2891 6.8760 6.8760 6.8760 6.8760 7.2038 7.2038 7.2039 7.2039 7.3508 7.3508 7.3509 7.3509 16.5833 16.5833 16.5833 16.5833 16.6626 16.6626 16.6627 16.6627 17.9450 17.9450 k = 0.0067 0.0115 0.3856 ( 3458 PWs) bands (ev): -16.0120 -16.0120 -16.0120 -16.0120 -12.6194 -12.6194 -12.6194 -12.6194 -11.5729 -11.5729 -11.5729 -11.5729 -2.2850 -2.2850 -2.2850 -2.2850 -0.3823 -0.3823 -0.3821 -0.3821 -0.3580 -0.3580 -0.3578 -0.3578 4.8719 4.8719 4.8719 4.8719 4.9397 4.9397 4.9397 4.9397 5.2891 5.2891 5.2891 5.2891 6.8810 6.8810 6.8810 6.8810 7.2028 7.2028 7.2028 7.2028 7.3502 7.3502 7.3502 7.3502 16.5864 16.5864 16.5864 16.5864 16.6652 16.6652 16.6652 16.6652 17.9407 17.9407 k = 0.0000 0.0000 0.3856 ( 3456 PWs) bands (ev): -16.0124 -16.0124 -16.0124 -16.0124 -12.6188 -12.6188 -12.6188 -12.6188 -11.5728 -11.5728 -11.5728 -11.5728 -2.2849 -2.2849 -2.2849 -2.2849 -0.3813 -0.3813 -0.3813 -0.3813 -0.3586 -0.3586 -0.3586 -0.3586 4.8706 4.8706 4.8706 4.8706 4.9384 4.9384 4.9384 4.9384 5.2891 5.2891 5.2891 5.2891 6.8826 6.8826 6.8826 6.8826 7.2025 7.2025 7.2025 7.2025 7.3500 7.3500 7.3500 7.3500 16.5874 16.5874 16.5874 16.5874 16.6662 16.6662 16.6662 16.6662 17.9393 17.9393 k = 0.5000 0.2887 0.3856 ( 3472 PWs) bands (ev): -15.6147 -15.6147 -15.6147 -15.6147 -13.1801 -13.1801 -13.1801 -13.1801 -11.6726 -11.6726 -11.6726 -11.6726 -2.3335 -2.3335 -2.3335 -2.3335 -0.7074 -0.7074 -0.7074 -0.7074 -0.0360 -0.0360 -0.0360 -0.0360 4.8875 4.8875 4.8875 4.8875 5.4838 5.4838 5.4838 5.4838 6.2692 6.2692 6.2692 6.2692 6.7232 6.7232 6.7232 6.7232 7.0616 7.0616 7.0616 7.0616 7.1407 7.1407 7.1407 7.1407 16.0938 16.0938 16.0938 16.0938 16.7769 16.7769 16.7769 16.7769 17.2398 17.2398 k = 0.5000 0.2887 0.3723 ( 3480 PWs) bands (ev): -15.6225 -15.6225 -15.6070 -15.6070 -13.1865 -13.1865 -13.1733 -13.1733 -11.6801 -11.6801 -11.6651 -11.6651 -2.3503 -2.3503 -2.3172 -2.3172 -0.7299 -0.7299 -0.6857 -0.6857 -0.0445 -0.0445 -0.0287 -0.0287 4.8761 4.8761 4.9038 4.9038 5.4696 5.4696 5.4981 5.4981 6.2594 6.2594 6.2789 6.2789 6.7090 6.7090 6.7369 6.7369 7.0293 7.0293 7.0936 7.0936 7.1328 7.1328 7.1493 7.1493 16.0308 16.0308 16.1579 16.1579 16.6851 16.6851 16.8691 16.8691 17.1653 17.1653 k = 0.5000 0.2887 0.3590 ( 3480 PWs) bands (ev): -15.6305 -15.6305 -15.5995 -15.5995 -13.1924 -13.1924 -13.1661 -13.1661 -11.6876 -11.6876 -11.6576 -11.6576 -2.3676 -2.3676 -2.3015 -2.3015 -0.7532 -0.7532 -0.6647 -0.6647 -0.0539 -0.0539 -0.0227 -0.0227 4.8697 4.8697 4.9249 4.9249 5.4554 5.4554 5.5125 5.5125 6.2499 6.2499 6.2887 6.2887 6.6942 6.6942 6.7501 6.7501 6.9975 6.9975 7.1226 7.1226 7.1252 7.1252 7.1612 7.1612 15.9689 15.9689 16.2228 16.2228 16.5949 16.5949 16.9564 16.9564 17.0966 17.0966 k = 0.5000 0.2887 0.3457 ( 3478 PWs) bands (ev): -15.6387 -15.6387 -15.5923 -15.5923 -13.1979 -13.1979 -13.1585 -13.1585 -11.6951 -11.6951 -11.6501 -11.6501 -2.3853 -2.3853 -2.2864 -2.2864 -0.7772 -0.7772 -0.6445 -0.6445 -0.0641 -0.0641 -0.0181 -0.0181 4.8685 4.8685 4.9504 4.9504 5.4416 5.4416 5.5269 5.5269 6.2404 6.2404 6.2985 6.2985 6.6791 6.6791 6.7627 6.7627 6.9667 6.9667 7.1168 7.1168 7.1429 7.1429 7.1824 7.1824 15.9084 15.9084 16.2884 16.2884 16.5067 16.5067 16.9816 16.9816 17.0911 17.0911 k = 0.5000 0.2887 0.3324 ( 3476 PWs) bands (ev): -15.6469 -15.6469 -15.5853 -15.5853 -13.2028 -13.2028 -13.1505 -13.1505 -11.7025 -11.7025 -11.6428 -11.6428 -2.4034 -2.4034 -2.2720 -2.2720 -0.8020 -0.8020 -0.6251 -0.6251 -0.0746 -0.0746 -0.0152 -0.0152 4.8725 4.8725 4.9800 4.9800 5.4280 5.4280 5.5412 5.5412 6.2312 6.2312 6.3083 6.3083 6.6636 6.6636 6.7745 6.7745 6.9372 6.9372 7.1084 7.1084 7.1535 7.1535 7.2133 7.2133 15.8495 15.8495 16.3539 16.3539 16.4213 16.4213 16.9184 16.9184 17.1751 17.1751 k = 0.5000 0.2887 0.3191 ( 3484 PWs) bands (ev): -15.6551 -15.6551 -15.5786 -15.5786 -13.2073 -13.2073 -13.1422 -13.1422 -11.7099 -11.7099 -11.6355 -11.6355 -2.4218 -2.4218 -2.2582 -2.2582 -0.8274 -0.8274 -0.6064 -0.6064 -0.0855 -0.0855 -0.0140 -0.0140 4.8815 4.8815 5.0132 5.0132 5.4150 5.4150 5.5554 5.5554 6.2222 6.2222 6.3179 6.3179 6.6477 6.6477 6.7854 6.7854 6.9092 6.9092 7.0996 7.0996 7.1604 7.1604 7.2477 7.2477 15.7923 15.7923 16.3356 16.3356 16.4226 16.4226 16.8445 16.8445 17.2705 17.2705 k = 0.5000 0.2887 0.3058 ( 3482 PWs) bands (ev): -15.6634 -15.6634 -15.5722 -15.5722 -13.2112 -13.2112 -13.1336 -13.1336 -11.7171 -11.7171 -11.6284 -11.6284 -2.4404 -2.4404 -2.2452 -2.2452 -0.8533 -0.8533 -0.5885 -0.5885 -0.0963 -0.0963 -0.0145 -0.0145 4.8953 4.8953 5.0497 5.0497 5.4026 5.4026 5.5694 5.5694 6.2134 6.2134 6.3275 6.3275 6.6316 6.6316 6.7949 6.7949 6.8833 6.8833 7.0904 7.0904 7.1658 7.1658 7.2835 7.2835 15.7369 15.7369 16.2551 16.2551 16.4886 16.4886 16.7699 16.7699 17.3678 17.3678 k = 0.5000 0.2887 0.2925 ( 3484 PWs) bands (ev): -15.6717 -15.6717 -15.5661 -15.5661 -13.2147 -13.2147 -13.1249 -13.1249 -11.7242 -11.7242 -11.6214 -11.6214 -2.4591 -2.4591 -2.2329 -2.2329 -0.8798 -0.8798 -0.5714 -0.5714 -0.1069 -0.1069 -0.0167 -0.0167 4.9138 4.9138 5.0886 5.0886 5.3913 5.3913 5.5834 5.5834 6.2050 6.2050 6.3369 6.3369 6.6153 6.6153 6.8016 6.8016 6.8610 6.8610 7.0807 7.0807 7.1704 7.1704 7.3197 7.3197 15.6836 15.6836 16.1769 16.1769 16.5531 16.5531 16.6976 16.6976 17.4651 17.4651 k = 0.5000 0.2887 0.2792 ( 3480 PWs) bands (ev): -15.6799 -15.6799 -15.5602 -15.5602 -13.2176 -13.2176 -13.1159 -13.1159 -11.7311 -11.7311 -11.6145 -11.6145 -2.4779 -2.4779 -2.2213 -2.2213 -0.9067 -0.9067 -0.5551 -0.5551 -0.1171 -0.1171 -0.0205 -0.0205 4.9367 4.9367 5.1292 5.1292 5.3817 5.3817 5.5971 5.5971 6.1969 6.1969 6.3461 6.3461 6.5988 6.5988 6.8013 6.8013 6.8465 6.8465 7.0706 7.0706 7.1745 7.1745 7.3561 7.3561 15.6325 15.6325 16.1017 16.1017 16.5910 16.5910 16.6530 16.6530 17.5611 17.5611 k = 0.5000 0.2887 0.2659 ( 3478 PWs) bands (ev): -15.6880 -15.6880 -15.5548 -15.5548 -13.2201 -13.2201 -13.1069 -13.1069 -11.7379 -11.7379 -11.6079 -11.6079 -2.4967 -2.4967 -2.2105 -2.2105 -0.9338 -0.9338 -0.5396 -0.5396 -0.1267 -0.1267 -0.0259 -0.0259 4.9633 4.9633 5.1702 5.1702 5.3747 5.3747 5.6107 5.6107 6.1892 6.1892 6.3550 6.3550 6.5821 6.5821 6.7897 6.7897 6.8442 6.8442 7.0601 7.0601 7.1781 7.1781 7.3923 7.3923 15.5839 15.5839 16.0294 16.0294 16.5361 16.5361 16.7022 16.7022 17.6531 17.6531 k = 0.5000 0.2887 0.2527 ( 3472 PWs) bands (ev): -15.6961 -15.6961 -15.5496 -15.5496 -13.2222 -13.2222 -13.0978 -13.0978 -11.7445 -11.7445 -11.6014 -11.6014 -2.5154 -2.5154 -2.2004 -2.2004 -0.9610 -0.9610 -0.5249 -0.5249 -0.1357 -0.1357 -0.0328 -0.0328 4.9931 4.9931 5.2093 5.2093 5.3723 5.3723 5.6240 5.6240 6.1819 6.1819 6.3637 6.3637 6.5655 6.5655 6.7720 6.7720 6.8487 6.8487 7.0491 7.0491 7.1813 7.1813 7.4282 7.4282 15.5378 15.5378 15.9602 15.9602 16.4660 16.4660 16.7682 16.7682 17.7294 17.7294 k = 0.5000 0.2887 0.2394 ( 3468 PWs) bands (ev): -15.7039 -15.7039 -15.5448 -15.5448 -13.2238 -13.2238 -13.0887 -13.0887 -11.7509 -11.7509 -11.5952 -11.5952 -2.5339 -2.5339 -2.1911 -2.1911 -0.9882 -0.9882 -0.5110 -0.5110 -0.1439 -0.1439 -0.0410 -0.0410 5.0254 5.0254 5.2429 5.2429 5.3783 5.3783 5.6372 5.6372 6.1751 6.1751 6.3721 6.3721 6.5488 6.5488 6.7532 6.7532 6.8553 6.8553 7.0377 7.0377 7.1842 7.1842 7.4635 7.4635 15.4945 15.4945 15.8943 15.8943 16.3958 16.3958 16.8359 16.8359 17.7470 17.7470 k = 0.5000 0.2887 0.2261 ( 3476 PWs) bands (ev): -15.7115 -15.7115 -15.5402 -15.5402 -13.2251 -13.2251 -13.0796 -13.0796 -11.7570 -11.7570 -11.5892 -11.5892 -2.5521 -2.5521 -2.1825 -2.1825 -1.0153 -1.0153 -0.4979 -0.4979 -0.1514 -0.1514 -0.0501 -0.0501 5.0588 5.0588 5.2669 5.2669 5.3969 5.3969 5.6501 5.6501 6.1687 6.1687 6.3801 6.3801 6.5323 6.5323 6.7349 6.7349 6.8621 6.8621 7.0259 7.0259 7.1867 7.1867 7.4981 7.4981 15.4542 15.4542 15.8317 15.8317 16.3268 16.3268 16.9041 16.9041 17.7056 17.7056 k = 0.5000 0.2887 0.2128 ( 3486 PWs) bands (ev): -15.7190 -15.7190 -15.5361 -15.5361 -13.2260 -13.2260 -13.0707 -13.0707 -11.7630 -11.7630 -11.5834 -11.5834 -2.5700 -2.5700 -2.1746 -2.1746 -1.0419 -1.0419 -0.4856 -0.4856 -0.1581 -0.1581 -0.0601 -0.0601 5.0916 5.0916 5.2819 5.2819 5.4284 5.4284 5.6627 5.6627 6.1629 6.1629 6.3878 6.3878 6.5160 6.5160 6.7176 6.7176 6.8687 6.8687 7.0138 7.0138 7.1889 7.1889 7.5318 7.5318 15.4168 15.4168 15.7724 15.7724 16.2596 16.2596 16.9724 16.9724 17.6329 17.6329 k = 0.5000 0.2887 0.1995 ( 3486 PWs) bands (ev): -15.7261 -15.7261 -15.5322 -15.5322 -13.2265 -13.2265 -13.0619 -13.0619 -11.7686 -11.7686 -11.5780 -11.5780 -2.5874 -2.5874 -2.1674 -2.1674 -1.0680 -1.0680 -0.4741 -0.4741 -0.1641 -0.1641 -0.0706 -0.0706 5.1213 5.1213 5.2943 5.2943 5.4679 5.4679 5.6752 5.6752 6.1575 6.1575 6.3951 6.3951 6.4999 6.4999 6.7014 6.7014 6.8749 6.8749 7.0015 7.0015 7.1909 7.1909 7.5644 7.5644 15.3827 15.3827 15.7165 15.7165 16.1946 16.1946 17.0407 17.0407 17.5417 17.5417 k = 0.5000 0.2887 0.1862 ( 3486 PWs) bands (ev): -15.7330 -15.7330 -15.5286 -15.5286 -13.2268 -13.2268 -13.0534 -13.0534 -11.7739 -11.7739 -11.5728 -11.5728 -2.6043 -2.6043 -2.1609 -2.1609 -1.0933 -1.0933 -0.4634 -0.4634 -0.1698 -0.1698 -0.0813 -0.0813 5.1446 5.1446 5.3107 5.3107 5.5109 5.5109 5.6876 5.6876 6.1527 6.1527 6.4021 6.4021 6.4842 6.4842 6.6866 6.6866 6.8803 6.8803 6.9891 6.9891 7.1926 7.1926 7.5958 7.5958 15.3519 15.3519 15.6642 15.6642 16.1320 16.1320 17.1088 17.1088 17.4403 17.4403 k = 0.5000 0.2887 0.1729 ( 3482 PWs) bands (ev): -15.7395 -15.7395 -15.5254 -15.5254 -13.2268 -13.2268 -13.0452 -13.0452 -11.7790 -11.7790 -11.5679 -11.5679 -2.6204 -2.6204 -2.1550 -2.1550 -1.1178 -1.1178 -0.4533 -0.4533 -0.1752 -0.1752 -0.0917 -0.0917 5.1594 5.1594 5.3348 5.3348 5.5546 5.5546 5.7001 5.7001 6.1485 6.1485 6.4086 6.4086 6.4690 6.4690 6.6731 6.6731 6.8847 6.8847 6.9769 6.9769 7.1941 7.1941 7.6259 7.6259 15.3245 15.3245 15.6153 15.6153 16.0722 16.0722 17.1760 17.1760 17.3348 17.3348 k = 0.5000 0.2887 0.1596 ( 3484 PWs) bands (ev): -15.7457 -15.7457 -15.5224 -15.5224 -13.2266 -13.2266 -13.0373 -13.0373 -11.7837 -11.7837 -11.5633 -11.5633 -2.6359 -2.6359 -2.1498 -2.1498 -1.1411 -1.1411 -0.4439 -0.4439 -0.1809 -0.1809 -0.1013 -0.1013 5.1663 5.1663 5.3665 5.3665 5.5971 5.5971 5.7130 5.7130 6.1448 6.1448 6.4146 6.4146 6.4544 6.4544 6.6607 6.6607 6.8877 6.8877 6.9654 6.9654 7.1954 7.1954 7.6544 7.6544 15.3005 15.3005 15.5699 15.5699 16.0154 16.0154 17.2160 17.2160 17.2552 17.2552 k = 0.5000 0.2887 0.1463 ( 3486 PWs) bands (ev): -15.7515 -15.7515 -15.5198 -15.5198 -13.2263 -13.2263 -13.0298 -13.0298 -11.7882 -11.7882 -11.5591 -11.5591 -2.6505 -2.6505 -2.1451 -2.1451 -1.1632 -1.1632 -0.4351 -0.4351 -0.1872 -0.1872 -0.1098 -0.1098 5.1676 5.1676 5.4034 5.4034 5.6367 5.6367 5.7271 5.7271 6.1417 6.1417 6.4202 6.4202 6.4404 6.4404 6.6497 6.6497 6.8888 6.8888 6.9551 6.9551 7.1964 7.1964 7.6812 7.6812 15.2799 15.2799 15.5281 15.5281 15.9618 15.9618 17.1180 17.1180 17.3147 17.3147 k = 0.5000 0.2887 0.1330 ( 3482 PWs) bands (ev): -15.7568 -15.7568 -15.5174 -15.5174 -13.2258 -13.2258 -13.0228 -13.0228 -11.7922 -11.7922 -11.5551 -11.5551 -2.6642 -2.6642 -2.1409 -2.1409 -1.1839 -1.1839 -0.4267 -0.4267 -0.1945 -0.1945 -0.1166 -0.1166 5.1658 5.1658 5.4426 5.4426 5.6713 5.6713 5.7437 5.7437 6.1392 6.1392 6.4239 6.4239 6.4286 6.4286 6.6398 6.6398 6.8872 6.8872 6.9471 6.9471 7.1974 7.1974 7.7062 7.7062 15.2627 15.2627 15.4899 15.4899 15.9119 15.9119 17.0160 17.0160 17.3810 17.3810 k = 0.5000 0.2887 0.1197 ( 3482 PWs) bands (ev): -15.7618 -15.7618 -15.5153 -15.5153 -13.2252 -13.2252 -13.0163 -13.0163 -11.7960 -11.7960 -11.5516 -11.5516 -2.6769 -2.6769 -2.1373 -2.1373 -1.2031 -1.2031 -0.4188 -0.4188 -0.2028 -0.2028 -0.1217 -0.1217 5.1622 5.1622 5.4822 5.4822 5.6987 5.6987 5.7646 5.7646 6.1372 6.1372 6.4141 6.4141 6.4307 6.4307 6.6310 6.6310 6.8824 6.8824 6.9420 6.9420 7.1981 7.1981 7.7293 7.7293 15.2489 15.2489 15.4553 15.4553 15.8657 15.8657 16.9185 16.9185 17.4469 17.4469 k = 0.5000 0.2887 0.1064 ( 3482 PWs) bands (ev): -15.7663 -15.7663 -15.5134 -15.5134 -13.2246 -13.2246 -13.0103 -13.0103 -11.7993 -11.7993 -11.5484 -11.5484 -2.6885 -2.6885 -2.1342 -2.1342 -1.2206 -1.2206 -0.4113 -0.4113 -0.2121 -0.2121 -0.1252 -0.1251 5.1578 5.1578 5.5207 5.5207 5.7186 5.7186 5.7896 5.7896 6.1358 6.1358 6.4027 6.4027 6.4349 6.4349 6.6233 6.6233 6.8747 6.8747 6.9396 6.9396 7.1987 7.1987 7.7503 7.7503 15.2381 15.2381 15.4244 15.4244 15.8236 15.8236 16.8270 16.8270 17.5117 17.5117 k = 0.5000 0.2887 0.0931 ( 3486 PWs) bands (ev): -15.7703 -15.7703 -15.5118 -15.5118 -13.2240 -13.2240 -13.0050 -13.0050 -11.8023 -11.8023 -11.5455 -11.5455 -2.6989 -2.6989 -2.1315 -2.1315 -1.2364 -1.2364 -0.4040 -0.4040 -0.2220 -0.2220 -0.1272 -0.1272 5.1533 5.1533 5.5567 5.5567 5.7332 5.7332 5.8160 5.8160 6.1350 6.1350 6.3923 6.3923 6.4387 6.4387 6.6167 6.6167 6.8652 6.8652 6.9390 6.9390 7.1992 7.1992 7.7691 7.7691 15.2302 15.2302 15.3970 15.3970 15.7858 15.7858 16.7428 16.7428 17.5749 17.5749 k = 0.5000 0.2887 0.0798 ( 3496 PWs) bands (ev): -15.7738 -15.7738 -15.5105 -15.5105 -13.2233 -13.2233 -13.0002 -13.0002 -11.8049 -11.8049 -11.5430 -11.5430 -2.7081 -2.7081 -2.1292 -2.1292 -1.2502 -1.2502 -0.3971 -0.3971 -0.2321 -0.2321 -0.1282 -0.1282 5.1489 5.1489 5.5891 5.5891 5.7451 5.7451 5.8413 5.8413 6.1345 6.1345 6.3830 6.3830 6.4421 6.4421 6.6109 6.6109 6.8550 6.8550 6.9395 6.9395 7.1996 7.1996 7.7856 7.7856 15.2249 15.2249 15.3732 15.3732 15.7525 15.7525 16.6669 16.6669 17.6356 17.6356 k = 0.5000 0.2887 0.0665 ( 3496 PWs) bands (ev): -15.7768 -15.7768 -15.5093 -15.5093 -13.2227 -13.2227 -12.9962 -12.9962 -11.8071 -11.8071 -11.5409 -11.5409 -2.7160 -2.7160 -2.1273 -2.1273 -1.2621 -1.2621 -0.3906 -0.3906 -0.2420 -0.2420 -0.1286 -0.1286 5.1449 5.1449 5.6172 5.6172 5.7554 5.7554 5.8639 5.8639 6.1345 6.1345 6.3750 6.3750 6.4450 6.4450 6.6061 6.6061 6.8451 6.8451 6.9405 6.9405 7.2000 7.2000 7.7997 7.7997 15.2216 15.2216 15.3531 15.3531 15.7240 15.7240 16.6004 16.6004 17.6929 17.6929 k = 0.5000 0.2887 0.0532 ( 3496 PWs) bands (ev): -15.7792 -15.7792 -15.5084 -15.5084 -13.2222 -13.2222 -12.9928 -12.9928 -11.8090 -11.8090 -11.5392 -11.5392 -2.7225 -2.7225 -2.1258 -2.1258 -1.2719 -1.2719 -0.3845 -0.3845 -0.2512 -0.2512 -0.1285 -0.1285 5.1415 5.1415 5.6401 5.6401 5.7646 5.7646 5.8829 5.8829 6.1347 6.1347 6.3683 6.3683 6.4474 6.4474 6.6022 6.6022 6.8360 6.8360 6.9416 6.9416 7.2002 7.2002 7.8113 7.8113 15.2200 15.2200 15.3367 15.3367 15.7004 15.7004 16.5444 16.5444 17.7451 17.7451 k = 0.5000 0.2887 0.0399 ( 3486 PWs) bands (ev): -15.7812 -15.7812 -15.5077 -15.5077 -13.2218 -13.2218 -12.9901 -12.9901 -11.8104 -11.8104 -11.5378 -11.5378 -2.7276 -2.7276 -2.1247 -2.1247 -1.2796 -1.2796 -0.3791 -0.3791 -0.2592 -0.2592 -0.1283 -0.1283 5.1388 5.1388 5.6577 5.6577 5.7727 5.7727 5.8981 5.8981 6.1351 6.1351 6.3629 6.3629 6.4493 6.4493 6.5991 6.5991 6.8285 6.8285 6.9425 6.9425 7.2004 7.2004 7.8205 7.8205 15.2195 15.2195 15.3238 15.3238 15.6818 15.6818 16.4996 16.4996 17.7902 17.7902 k = 0.5000 0.2887 0.0266 ( 3490 PWs) bands (ev): -15.7825 -15.7825 -15.5072 -15.5072 -13.2215 -13.2215 -12.9882 -12.9882 -11.8114 -11.8114 -11.5369 -11.5369 -2.7313 -2.7313 -2.1238 -2.1238 -1.2851 -1.2851 -0.3748 -0.3748 -0.2655 -0.2655 -0.1280 -0.1280 5.1367 5.1367 5.6699 5.6699 5.7792 5.7792 5.9090 5.9090 6.1355 6.1355 6.3591 6.3591 6.4507 6.4507 6.5969 6.5969 6.8227 6.8227 6.9433 6.9433 7.2005 7.2005 7.8271 7.8271 15.2196 15.2196 15.3147 15.3147 15.6685 15.6685 16.4670 16.4670 17.8257 17.8257 k = 0.5000 0.2887 0.0133 ( 3490 PWs) bands (ev): -15.7834 -15.7834 -15.5069 -15.5069 -13.2213 -13.2213 -12.9871 -12.9871 -11.8120 -11.8120 -11.5363 -11.5363 -2.7335 -2.7335 -2.1234 -2.1234 -1.2885 -1.2885 -0.3720 -0.3720 -0.2696 -0.2696 -0.1278 -0.1278 5.1355 5.1355 5.6770 5.6770 5.7835 5.7835 5.9156 5.9156 6.1358 6.1358 6.3567 6.3567 6.4515 6.4515 6.5956 6.5956 6.8192 6.8192 6.9438 6.9438 7.2006 7.2006 7.8310 7.8310 15.2199 15.2199 15.3091 15.3091 15.6605 15.6605 16.4471 16.4471 17.8486 17.8486 k = 0.5000 0.2887-0.0000 ( 3502 PWs) bands (ev): -15.7836 -15.7836 -15.5068 -15.5068 -13.2212 -13.2212 -12.9867 -12.9867 -11.8122 -11.8122 -11.5361 -11.5361 -2.7343 -2.7343 -2.1232 -2.1232 -1.2896 -1.2896 -0.3710 -0.3710 -0.2711 -0.2711 -0.1277 -0.1277 5.1351 5.1351 5.6793 5.6793 5.7849 5.7849 5.9178 5.9178 6.1359 6.1359 6.3560 6.3560 6.4518 6.4518 6.5951 6.5951 6.8179 6.8179 6.9439 6.9439 7.2006 7.2006 7.8323 7.8323 15.2200 15.2200 15.3073 15.3073 15.6578 15.6578 16.4404 16.4404 17.8566 17.8566 k = 0.3333 0.5774-0.0000 ( 3501 PWs) bands (ev): -15.5954 -15.5954 -15.5950 -15.5950 -13.1640 -13.1640 -13.1524 -13.1524 -11.8840 -11.8840 -11.5301 -11.5301 -2.6189 -2.6189 -2.2180 -2.2180 -0.9913 -0.9913 -0.7345 -0.7345 -0.4480 -0.4480 0.0928 0.0928 5.1693 5.1693 5.2297 5.2297 5.7459 5.7459 5.7926 5.7926 6.3465 6.3465 6.4680 6.4680 6.8217 6.8217 6.9212 6.9212 6.9329 6.9329 7.0265 7.0265 7.0592 7.0592 7.7914 7.7914 13.7935 13.7935 16.2335 16.2335 16.3868 16.3868 16.3913 16.3913 17.5009 17.5009 k = 0.3333 0.5774 0.0133 ( 3501 PWs) bands (ev): -15.5953 -15.5953 -15.5949 -15.5949 -13.1643 -13.1643 -13.1526 -13.1526 -11.8838 -11.8838 -11.5304 -11.5304 -2.6186 -2.6186 -2.2177 -2.2177 -0.9909 -0.9909 -0.7345 -0.7345 -0.4470 -0.4470 0.0934 0.0934 5.1688 5.1688 5.2291 5.2291 5.7431 5.7431 5.7894 5.7894 6.3471 6.3471 6.4679 6.4679 6.8216 6.8216 6.9215 6.9215 6.9334 6.9334 7.0272 7.0272 7.0599 7.0599 7.7900 7.7900 13.7966 13.7966 16.2352 16.2352 16.3884 16.3884 16.3928 16.3928 17.5034 17.5034 k = 0.3333 0.5774 0.0266 ( 3513 PWs) bands (ev): -15.5950 -15.5950 -15.5945 -15.5945 -13.1650 -13.1650 -13.1533 -13.1533 -11.8831 -11.8831 -11.5312 -11.5312 -2.6177 -2.6177 -2.2168 -2.2168 -0.9896 -0.9896 -0.7346 -0.7346 -0.4441 -0.4441 0.0955 0.0955 5.1672 5.1672 5.2272 5.2272 5.7349 5.7349 5.7800 5.7800 6.3489 6.3489 6.4675 6.4675 6.8212 6.8212 6.9224 6.9224 6.9347 6.9347 7.0290 7.0290 7.0622 7.0622 7.7859 7.7859 13.8058 13.8058 16.2402 16.2402 16.3933 16.3933 16.3974 16.3974 17.5108 17.5108 k = 0.3333 0.5774 0.0399 ( 3504 PWs) bands (ev): -15.5944 -15.5944 -15.5940 -15.5940 -13.1661 -13.1661 -13.1544 -13.1544 -11.8818 -11.8818 -11.5326 -11.5326 -2.6163 -2.6163 -2.2153 -2.2153 -0.9875 -0.9875 -0.7348 -0.7348 -0.4392 -0.4392 0.0989 0.0989 5.1646 5.1646 5.2240 5.2240 5.7213 5.7213 5.7644 5.7644 6.3519 6.3519 6.4669 6.4669 6.8206 6.8206 6.9239 6.9239 6.9368 6.9368 7.0321 7.0321 7.0658 7.0658 7.7789 7.7789 13.8213 13.8213 16.2486 16.2486 16.4014 16.4014 16.4049 16.4049 17.5230 17.5230 k = 0.3333 0.5774 0.0532 ( 3510 PWs) bands (ev): -15.5937 -15.5937 -15.5932 -15.5932 -13.1677 -13.1677 -13.1560 -13.1560 -11.8801 -11.8801 -11.5345 -11.5345 -2.6142 -2.6142 -2.2132 -2.2132 -0.9846 -0.9846 -0.7350 -0.7350 -0.4325 -0.4325 0.1036 0.1036 5.1610 5.1610 5.2196 5.2196 5.7026 5.7026 5.7431 5.7431 6.3562 6.3562 6.4662 6.4662 6.8197 6.8197 6.9260 6.9260 6.9398 6.9398 7.0363 7.0363 7.0707 7.0707 7.7693 7.7693 13.8429 13.8429 16.2602 16.2602 16.4125 16.4125 16.4152 16.4152 17.5401 17.5401 k = 0.3333 0.5774 0.0665 ( 3507 PWs) bands (ev): -15.5927 -15.5927 -15.5923 -15.5923 -13.1698 -13.1698 -13.1581 -13.1581 -11.8779 -11.8779 -11.5369 -11.5369 -2.6117 -2.6117 -2.2106 -2.2106 -0.9809 -0.9809 -0.7353 -0.7353 -0.4239 -0.4239 0.1096 0.1096 5.1563 5.1563 5.2139 5.2139 5.6790 5.6790 5.7164 5.7164 6.3617 6.3617 6.4655 6.4655 6.8185 6.8185 6.9288 6.9288 6.9435 6.9435 7.0413 7.0413 7.0765 7.0765 7.7569 7.7569 13.8706 13.8706 16.2751 16.2751 16.4263 16.4263 16.4279 16.4279 17.5619 17.5619 k = 0.3333 0.5774 0.0798 ( 3510 PWs) bands (ev): -15.5915 -15.5915 -15.5911 -15.5911 -13.1722 -13.1722 -13.1605 -13.1605 -11.8752 -11.8752 -11.5398 -11.5398 -2.6087 -2.6087 -2.2075 -2.2075 -0.9766 -0.9766 -0.7356 -0.7356 -0.4135 -0.4135 0.1170 0.1170 5.1506 5.1506 5.2069 5.2069 5.6509 5.6509 5.6850 5.6850 6.3687 6.3687 6.4649 6.4649 6.8170 6.8170 6.9323 6.9323 6.9478 6.9478 7.0471 7.0471 7.0831 7.0831 7.7420 7.7420 13.9044 13.9044 16.2932 16.2932 16.4426 16.4426 16.4429 16.4429 17.5882 17.5882 k = 0.3333 0.5774 0.0931 ( 3498 PWs) bands (ev): -15.5902 -15.5902 -15.5898 -15.5898 -13.1750 -13.1750 -13.1633 -13.1633 -11.8721 -11.8721 -11.5433 -11.5433 -2.6052 -2.6052 -2.2039 -2.2039 -0.9716 -0.9716 -0.7360 -0.7360 -0.4014 -0.4014 0.1256 0.1256 5.1437 5.1437 5.1985 5.1985 5.6188 5.6188 5.6494 5.6494 6.3770 6.3770 6.4645 6.4645 6.8152 6.8152 6.9364 6.9364 6.9527 6.9527 7.0534 7.0534 7.0903 7.0903 7.7246 7.7246 13.9442 13.9442 16.3144 16.3144 16.4597 16.4597 16.4610 16.4610 17.6189 17.6189 k = 0.3333 0.5774 0.1064 ( 3507 PWs) bands (ev): -15.5887 -15.5887 -15.5883 -15.5883 -13.1781 -13.1781 -13.1664 -13.1664 -11.8685 -11.8685 -11.5473 -11.5473 -2.6013 -2.6013 -2.2000 -2.2000 -0.9661 -0.9661 -0.7364 -0.7364 -0.3876 -0.3876 0.1355 0.1355 5.1356 5.1356 5.1886 5.1886 5.5834 5.5834 5.6103 5.6103 6.3867 6.3867 6.4644 6.4644 6.8132 6.8132 6.9411 6.9411 6.9582 6.9582 7.0601 7.0601 7.0979 7.0979 7.7047 7.7047 13.9899 13.9899 16.3386 16.3386 16.4780 16.4780 16.4812 16.4812 17.6536 17.6536 k = 0.3333 0.5774 0.1197 ( 3507 PWs) bands (ev): -15.5870 -15.5870 -15.5867 -15.5867 -13.1816 -13.1816 -13.1698 -13.1698 -11.8644 -11.8644 -11.5517 -11.5517 -2.5970 -2.5970 -2.1956 -2.1956 -0.9601 -0.9601 -0.7368 -0.7368 -0.3724 -0.3724 0.1466 0.1466 5.1262 5.1262 5.1772 5.1772 5.5453 5.5453 5.5684 5.5684 6.3979 6.3979 6.4646 6.4646 6.8108 6.8108 6.9464 6.9464 6.9640 6.9640 7.0670 7.0670 7.1056 7.1056 7.6826 7.6826 14.0415 14.0415 16.3657 16.3657 16.4975 16.4975 16.5029 16.5029 17.6921 17.6921 k = 0.3333 0.5774 0.1330 ( 3507 PWs) bands (ev): -15.5852 -15.5852 -15.5849 -15.5849 -13.1853 -13.1853 -13.1735 -13.1735 -11.8599 -11.8599 -11.5567 -11.5567 -2.5925 -2.5925 -2.1911 -2.1911 -0.9537 -0.9537 -0.7372 -0.7372 -0.3557 -0.3557 0.1587 0.1587 5.1154 5.1154 5.1639 5.1639 5.5053 5.5053 5.5246 5.5246 6.4105 6.4105 6.4651 6.4651 6.8082 6.8082 6.9522 6.9522 6.9703 6.9703 7.0740 7.0740 7.1133 7.1133 7.6582 7.6582 14.0989 14.0989 16.3956 16.3956 16.5179 16.5179 16.5257 16.5257 17.7339 17.7339 k = 0.3333 0.5774 0.1463 ( 3495 PWs) bands (ev): -15.5833 -15.5833 -15.5830 -15.5830 -13.1893 -13.1893 -13.1774 -13.1774 -11.8549 -11.8549 -11.5621 -11.5621 -2.5876 -2.5876 -2.1862 -2.1862 -0.9471 -0.9471 -0.7375 -0.7375 -0.3378 -0.3378 0.1720 0.1720 5.1028 5.1028 5.1484 5.1484 5.4645 5.4645 5.4798 5.4798 6.4245 6.4245 6.4660 6.4660 6.8054 6.8054 6.9584 6.9584 6.9769 6.9769 7.0809 7.0809 7.1209 7.1209 7.6318 7.6318 14.1621 14.1621 16.4281 16.4281 16.5387 16.5387 16.5492 16.5492 17.7785 17.7785 k = 0.3333 0.5774 0.1596 ( 3501 PWs) bands (ev): -15.5813 -15.5813 -15.5810 -15.5810 -13.1934 -13.1934 -13.1815 -13.1815 -11.8496 -11.8496 -11.5679 -11.5679 -2.5826 -2.5826 -2.1812 -2.1812 -0.9402 -0.9402 -0.7379 -0.7379 -0.3187 -0.3187 0.1862 0.1862 5.0881 5.0881 5.1303 5.1303 5.4240 5.4240 5.4350 5.4350 6.4399 6.4399 6.4672 6.4672 6.8024 6.8024 6.9649 6.9649 6.9837 6.9837 7.0875 7.0875 7.1283 7.1283 7.6035 7.6035 14.2309 14.2309 16.4630 16.4630 16.5598 16.5598 16.5733 16.5733 17.8245 17.8245 k = 0.3333 0.5774 0.1729 ( 3504 PWs) bands (ev): -15.5793 -15.5793 -15.5790 -15.5790 -13.1977 -13.1977 -13.1858 -13.1858 -11.8438 -11.8438 -11.5741 -11.5741 -2.5775 -2.5775 -2.1762 -2.1762 -0.9333 -0.9333 -0.7382 -0.7382 -0.2987 -0.2987 0.2012 0.2012 5.0709 5.0710 5.1091 5.1091 5.3849 5.3849 5.3914 5.3914 6.4565 6.4565 6.4690 6.4690 6.7994 6.7994 6.9717 6.9717 6.9907 6.9907 7.0939 7.0939 7.1353 7.1353 7.5734 7.5734 14.3052 14.3052 16.4999 16.4999 16.5808 16.5808 16.5978 16.5978 17.8611 17.8611 k = 0.3333 0.5774 0.1862 ( 3504 PWs) bands (ev): -15.5772 -15.5772 -15.5769 -15.5769 -13.2020 -13.2020 -13.1901 -13.1901 -11.8376 -11.8376 -11.5808 -11.5808 -2.5723 -2.5723 -2.1710 -2.1710 -0.9265 -0.9265 -0.7384 -0.7384 -0.2781 -0.2781 0.2169 0.2169 5.0508 5.0508 5.0842 5.0842 5.3485 5.3485 5.3501 5.3501 6.4693 6.4693 6.4761 6.4761 6.7964 6.7964 6.9786 6.9786 6.9977 6.9977 7.0999 7.0999 7.1419 7.1419 7.5416 7.5416 14.3849 14.3849 16.5386 16.5386 16.6016 16.6016 16.6225 16.6225 17.8977 17.8977 k = 0.3333 0.5774 0.1995 ( 3504 PWs) bands (ev): -15.5750 -15.5750 -15.5748 -15.5748 -13.2064 -13.2064 -13.1944 -13.1944 -11.8311 -11.8311 -11.5878 -11.5878 -2.5670 -2.5670 -2.1660 -2.1660 -0.9197 -0.9197 -0.7386 -0.7386 -0.2568 -0.2568 0.2333 0.2333 5.0271 5.0271 5.0555 5.0555 5.3123 5.3123 5.3158 5.3158 6.4721 6.4721 6.4947 6.4947 6.7935 6.7935 6.9856 6.9856 7.0048 7.0048 7.1055 7.1055 7.1482 7.1482 7.5084 7.5084 14.4699 14.4699 16.5783 16.5783 16.6218 16.6218 16.6475 16.6475 17.9336 17.9336 k = 0.3333 0.5774 0.2128 ( 3498 PWs) bands (ev): -15.5729 -15.5729 -15.5727 -15.5727 -13.2107 -13.2107 -13.1987 -13.1987 -11.8242 -11.8242 -11.5952 -11.5952 -2.5619 -2.5619 -2.1609 -2.1609 -0.9132 -0.9132 -0.7387 -0.7387 -0.2354 -0.2354 0.2499 0.2499 4.9998 4.9998 5.0229 5.0229 5.2788 5.2788 5.2873 5.2873 6.4745 6.4745 6.5150 6.5150 6.7909 6.7909 6.9926 6.9926 7.0119 7.0119 7.1106 7.1106 7.1540 7.1540 7.4740 7.4740 14.5602 14.5602 16.6177 16.6177 16.6414 16.6414 16.6737 16.6737 17.9683 17.9683 k = 0.3333 0.5774 0.2261 ( 3498 PWs) bands (ev): -15.5708 -15.5708 -15.5706 -15.5706 -13.2150 -13.2150 -13.2030 -13.2030 -11.8170 -11.8170 -11.6029 -11.6029 -2.5568 -2.5568 -2.1561 -2.1561 -0.9069 -0.9069 -0.7386 -0.7386 -0.2139 -0.2139 0.2668 0.2668 4.9690 4.9690 4.9872 4.9872 5.2501 5.2501 5.2630 5.2630 6.4771 6.4771 6.5364 6.5364 6.7888 6.7888 6.9995 6.9995 7.0188 7.0188 7.1153 7.1153 7.1593 7.1593 7.4384 7.4384 14.6555 14.6555 16.6544 16.6544 16.6601 16.6601 16.7028 16.7028 18.0008 18.0008 k = 0.3333 0.5774 0.2394 ( 3507 PWs) bands (ev): -15.5688 -15.5688 -15.5686 -15.5686 -13.2191 -13.2191 -13.2071 -13.2071 -11.8094 -11.8094 -11.6109 -11.6109 -2.5520 -2.5520 -2.1514 -2.1514 -0.9010 -0.9010 -0.7385 -0.7385 -0.1926 -0.1926 0.2837 0.2837 4.9354 4.9354 4.9494 4.9494 5.2260 5.2260 5.2426 5.2426 6.4797 6.4797 6.5584 6.5584 6.7874 6.7874 7.0061 7.0061 7.0256 7.0256 7.1195 7.1195 7.1641 7.1641 7.4018 7.4018 14.7558 14.7558 16.6778 16.6778 16.6854 16.6854 16.7368 16.7368 18.0298 18.0298 k = 0.3333 0.5774 0.2527 ( 3507 PWs) bands (ev): -15.5669 -15.5669 -15.5667 -15.5667 -13.2231 -13.2231 -13.2111 -13.2111 -11.8016 -11.8016 -11.6192 -11.6192 -2.5473 -2.5473 -2.1470 -2.1470 -0.8956 -0.8956 -0.7384 -0.7384 -0.1719 -0.1719 0.3003 0.3003 4.9003 4.9003 4.9108 4.9108 5.2061 5.2061 5.2255 5.2255 6.4824 6.4824 6.5807 6.5807 6.7871 6.7871 7.0124 7.0124 7.0321 7.0321 7.1231 7.1231 7.1684 7.1684 7.3645 7.3645 14.8609 14.8609 16.6944 16.6944 16.7103 16.7103 16.7747 16.7747 17.9107 17.9107 k = 0.3333 0.5774 0.2659 ( 3489 PWs) bands (ev): -15.5650 -15.5650 -15.5649 -15.5649 -13.2268 -13.2268 -13.2148 -13.2148 -11.7934 -11.7934 -11.6277 -11.6277 -2.5429 -2.5429 -2.1429 -2.1429 -0.8906 -0.8906 -0.7381 -0.7381 -0.1520 -0.1520 0.3163 0.3163 4.8647 4.8647 4.8726 4.8726 5.1898 5.1898 5.2112 5.2112 6.4851 6.4851 6.6028 6.6028 6.7885 6.7885 7.0184 7.0184 7.0383 7.0383 7.1263 7.1263 7.1722 7.1722 7.3266 7.3266 14.9707 14.9707 16.7098 16.7098 16.7311 16.7311 16.8124 16.8124 17.7481 17.7481 k = 0.3333 0.5774 0.2792 ( 3483 PWs) bands (ev): -15.5633 -15.5633 -15.5632 -15.5632 -13.2303 -13.2303 -13.2182 -13.2182 -11.7850 -11.7850 -11.6365 -11.6365 -2.5389 -2.5389 -2.1390 -2.1390 -0.8861 -0.8861 -0.7377 -0.7377 -0.1332 -0.1332 0.3317 0.3317 4.8299 4.8299 4.8357 4.8357 5.1765 5.1765 5.1991 5.1991 6.4877 6.4877 6.6238 6.6238 6.7923 6.7923 7.0239 7.0239 7.0441 7.0441 7.1291 7.1291 7.1756 7.1756 7.2883 7.2883 15.0851 15.0851 16.7239 16.7239 16.7491 16.7491 16.8445 16.8445 17.5959 17.5959 k = 0.3333 0.5774 0.2925 ( 3474 PWs) bands (ev): -15.5617 -15.5617 -15.5616 -15.5616 -13.2335 -13.2335 -13.2214 -13.2214 -11.7764 -11.7764 -11.6455 -11.6455 -2.5352 -2.5352 -2.1356 -2.1356 -0.8821 -0.8821 -0.7373 -0.7373 -0.1158 -0.1158 0.3460 0.3460 4.7970 4.7970 4.8012 4.8012 5.1655 5.1655 5.1890 5.1890 6.4903 6.4903 6.6429 6.6429 6.7994 6.7994 7.0289 7.0289 7.0494 7.0494 7.1313 7.1313 7.1785 7.1785 7.2499 7.2499 15.2038 15.2038 16.7365 16.7365 16.7647 16.7647 16.8619 16.8619 17.4628 17.4628 k = 0.3333 0.5774 0.3058 ( 3480 PWs) bands (ev): -15.5603 -15.5603 -15.5602 -15.5602 -13.2364 -13.2364 -13.2242 -13.2242 -11.7676 -11.7676 -11.6546 -11.6546 -2.5319 -2.5319 -2.1326 -2.1326 -0.8787 -0.8787 -0.7369 -0.7369 -0.1001 -0.1001 0.3590 0.3590 4.7668 4.7668 4.7697 4.7697 5.1565 5.1565 5.1805 5.1805 6.4927 6.4927 6.6589 6.6589 6.8109 6.8109 7.0331 7.0331 7.0542 7.0542 7.1332 7.1332 7.1808 7.1808 7.2118 7.2118 15.3267 15.3267 16.7477 16.7477 16.7780 16.7780 16.8495 16.8495 17.3640 17.3640 k = 0.3333 0.5774 0.3191 ( 3489 PWs) bands (ev): -15.5591 -15.5591 -15.5590 -15.5590 -13.2388 -13.2388 -13.2267 -13.2267 -11.7586 -11.7586 -11.6639 -11.6639 -2.5291 -2.5291 -2.1299 -2.1299 -0.8758 -0.8758 -0.7365 -0.7365 -0.0863 -0.0863 0.3705 0.3705 4.7400 4.7400 4.7420 4.7420 5.1493 5.1493 5.1736 5.1736 6.4948 6.4948 6.6712 6.6712 6.8273 6.8273 7.0365 7.0365 7.0585 7.0585 7.1347 7.1347 7.1724 7.1724 7.1843 7.1843 15.4536 15.4536 16.7572 16.7572 16.7832 16.7832 16.7973 16.7973 17.3152 17.3152 k = 0.3333 0.5774 0.3324 ( 3489 PWs) bands (ev): -15.5581 -15.5581 -15.5580 -15.5580 -13.2409 -13.2409 -13.2287 -13.2287 -11.7494 -11.7494 -11.6733 -11.6733 -2.5267 -2.5267 -2.1278 -2.1278 -0.8735 -0.8735 -0.7361 -0.7361 -0.0747 -0.0747 0.3802 0.3802 4.7174 4.7174 4.7187 4.7187 5.1436 5.1436 5.1680 5.1680 6.4967 6.4967 6.6799 6.6799 6.8484 6.8484 7.0387 7.0387 7.0620 7.0620 7.1358 7.1358 7.1365 7.1365 7.1852 7.1852 15.5843 15.5843 16.6884 16.6884 16.7652 16.7652 16.8002 16.8002 17.3130 17.3130 k = 0.3333 0.5774 0.3457 ( 3489 PWs) bands (ev): -15.5573 -15.5573 -15.5572 -15.5572 -13.2425 -13.2425 -13.2304 -13.2304 -11.7401 -11.7401 -11.6828 -11.6828 -2.5249 -2.5249 -2.1261 -2.1261 -0.8717 -0.8717 -0.7358 -0.7358 -0.0654 -0.0654 0.3880 0.3880 4.6993 4.6993 4.7000 4.7000 5.1393 5.1393 5.1637 5.1637 6.4982 6.4982 6.6855 6.6855 6.8732 6.8732 7.0386 7.0386 7.0649 7.0649 7.1025 7.1025 7.1366 7.1366 7.1863 7.1863 15.7186 15.7186 16.5620 16.5620 16.7714 16.7714 16.8073 16.8073 17.3394 17.3394 k = 0.3333 0.5774 0.3590 ( 3501 PWs) bands (ev): -15.5567 -15.5567 -15.5567 -15.5567 -13.2437 -13.2437 -13.2315 -13.2315 -11.7308 -11.7308 -11.6923 -11.6923 -2.5235 -2.5235 -2.1248 -2.1248 -0.8704 -0.8704 -0.7355 -0.7355 -0.0586 -0.0586 0.3937 0.3937 4.6861 4.6861 4.6865 4.6865 5.1363 5.1363 5.1607 5.1607 6.4993 6.4993 6.6889 6.6889 6.9000 6.9000 7.0325 7.0325 7.0670 7.0670 7.0756 7.0756 7.1372 7.1372 7.1872 7.1872 15.8560 15.8560 16.4240 16.4240 16.7758 16.7758 16.8126 16.8126 17.3794 17.3794 k = 0.3333 0.5774 0.3723 ( 3498 PWs) bands (ev): -15.5563 -15.5563 -15.5563 -15.5563 -13.2444 -13.2444 -13.2322 -13.2322 -11.7214 -11.7214 -11.7018 -11.7018 -2.5227 -2.5227 -2.1241 -2.1241 -0.8696 -0.8696 -0.7354 -0.7354 -0.0545 -0.0545 0.3972 0.3972 4.6781 4.6781 4.6782 4.6782 5.1345 5.1345 5.1589 5.1589 6.5000 6.5000 6.6907 6.6907 6.9257 6.9257 7.0159 7.0159 7.0630 7.0630 7.0682 7.0682 7.1375 7.1375 7.1877 7.1877 15.9961 15.9961 16.2817 16.2817 16.7785 16.7785 16.8158 16.8158 17.4214 17.4214 k = 0.3333 0.5774 0.3856 ( 3498 PWs) bands (ev): -15.5562 -15.5562 -15.5562 -15.5562 -13.2447 -13.2447 -13.2325 -13.2325 -11.7137 -11.7137 -11.7095 -11.7095 -2.5224 -2.5224 -2.1238 -2.1238 -0.8694 -0.8694 -0.7353 -0.7353 -0.0531 -0.0531 0.3984 0.3984 4.6754 4.6754 4.6755 4.6755 5.1339 5.1339 5.1583 5.1583 6.5002 6.5002 6.6912 6.6912 6.9391 6.9391 7.0040 7.0040 7.0605 7.0605 7.0687 7.0687 7.1376 7.1376 7.1879 7.1879 16.1327 16.1327 16.1441 16.1441 16.7794 16.7794 16.8168 16.8168 17.4440 17.4440 Writing output data file BaF2.save init_run : 0.18s CPU 0.32s WALL ( 1 calls) electrons : 138.32s CPU 140.67s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 138.31s CPU 140.66s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.04s WALL ( 332 calls) cegterg : 128.52s CPU 130.43s WALL ( 353 calls) Called by sum_band: Called by *egterg: h_psi : 68.44s CPU 70.27s WALL ( 6283 calls) s_psi : 3.64s CPU 3.86s WALL ( 6283 calls) g_psi : 0.17s CPU 0.21s WALL ( 5598 calls) cdiaghg : 50.39s CPU 50.15s WALL ( 5930 calls) cegterg:over : 5.56s CPU 5.33s WALL ( 5598 calls) cegterg:upda : 3.84s CPU 4.19s WALL ( 5598 calls) cegterg:last : 2.40s CPU 2.58s WALL ( 1017 calls) cdiaghg:chol : 2.61s CPU 2.80s WALL ( 5930 calls) cdiaghg:inve : 1.98s CPU 1.98s WALL ( 5930 calls) cdiaghg:para : 2.71s CPU 3.11s WALL ( 11860 calls) Called by h_psi: h_psi:vloc : 59.36s CPU 61.15s WALL ( 6283 calls) h_psi:vnl : 8.86s CPU 8.91s WALL ( 6283 calls) add_vuspsi : 4.28s CPU 4.40s WALL ( 6283 calls) General routines calbec : 4.55s CPU 4.49s WALL ( 6283 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 55.74s CPU 57.46s WALL ( 772524 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.21s WALL ( 664 calls) Parallel routines fft_scatter : 20.14s CPU 20.94s WALL ( 772547 calls) PWSCF : 2m34.36s CPU 2m45.56s WALL This run was terminated on: 13:52:54 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=