Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:20:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SrAsPt.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 53 20 5 3989 916 141 Max 54 21 6 4000 947 152 Sum 1921 733 211 143741 33621 5335 bravais-lattice index = 14 lattice parameter (alat) = 8.0238 a.u. unit-cell volume = 944.7878 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.023777 celldm(2)= 1.000000 celldm(3)= 2.111870 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 2.111870 ) 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 0.473514 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) Pt 10.00 195.08400 Pt( 1.00) Sr 10.00 87.62000 Sr( 1.00) 24 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0559350 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.0559350 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033445 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033445 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033445 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033445 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033445 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033445 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033445 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033445 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033445 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033445 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033445 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033445 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033445 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033445 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033445 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033445 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033445 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033445 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033445 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033445 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033445 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033445 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033445 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033445 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033445 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033445 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033445 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033445 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033445 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033445 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033445 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033445 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033445 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033445 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033445 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033445 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033445 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033445 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033445 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033445 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033445 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033445 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033445 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033445 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033445 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033445 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033445 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033445 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033445 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033445 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033445 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033445 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0131532), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.0263063), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.0394595), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.0526127), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.0657658), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.0789190), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.0920722), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.1052253), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.1183785), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.1315317), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.1446848), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.1578380), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.1709912), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.1841443), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.1972975), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.2104507), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.2236038), wk = 0.0033445 k( 140) = ( 0.0000000 0.0000000 0.2367570), wk = 0.0033445 k( 141) = ( 0.0000000 0.0000000 0.2367570), wk = 0.0033445 k( 142) = ( 0.0116279 0.0067134 0.2367570), wk = 0.0033445 k( 143) = ( 0.0232558 0.0134267 0.2367570), wk = 0.0033445 k( 144) = ( 0.0348837 0.0201401 0.2367570), wk = 0.0033445 k( 145) = ( 0.0465116 0.0268535 0.2367570), wk = 0.0033445 k( 146) = ( 0.0581395 0.0335669 0.2367570), wk = 0.0033445 k( 147) = ( 0.0697674 0.0402803 0.2367570), wk = 0.0033445 k( 148) = ( 0.0813954 0.0469936 0.2367570), wk = 0.0033445 k( 149) = ( 0.0930233 0.0537070 0.2367570), wk = 0.0033445 k( 150) = ( 0.1046512 0.0604204 0.2367570), wk = 0.0033445 k( 151) = ( 0.1162791 0.0671338 0.2367570), wk = 0.0033445 k( 152) = ( 0.1279070 0.0738471 0.2367570), wk = 0.0033445 k( 153) = ( 0.1395349 0.0805605 0.2367570), wk = 0.0033445 k( 154) = ( 0.1511628 0.0872739 0.2367570), wk = 0.0033445 k( 155) = ( 0.1627907 0.0939873 0.2367570), wk = 0.0033445 k( 156) = ( 0.1744186 0.1007006 0.2367570), wk = 0.0033445 k( 157) = ( 0.1860465 0.1074140 0.2367570), wk = 0.0033445 k( 158) = ( 0.1976744 0.1141274 0.2367570), wk = 0.0033445 k( 159) = ( 0.2093023 0.1208408 0.2367570), wk = 0.0033445 k( 160) = ( 0.2209302 0.1275541 0.2367570), wk = 0.0033445 k( 161) = ( 0.2325581 0.1342675 0.2367570), wk = 0.0033445 k( 162) = ( 0.2441860 0.1409809 0.2367570), wk = 0.0033445 k( 163) = ( 0.2558140 0.1476943 0.2367570), wk = 0.0033445 k( 164) = ( 0.2674419 0.1544076 0.2367570), wk = 0.0033445 k( 165) = ( 0.2790698 0.1611210 0.2367570), wk = 0.0033445 k( 166) = ( 0.2906977 0.1678344 0.2367570), wk = 0.0033445 k( 167) = ( 0.3023256 0.1745478 0.2367570), wk = 0.0033445 k( 168) = ( 0.3139535 0.1812611 0.2367570), wk = 0.0033445 k( 169) = ( 0.3255814 0.1879745 0.2367570), wk = 0.0033445 k( 170) = ( 0.3372093 0.1946879 0.2367570), wk = 0.0033445 k( 171) = ( 0.3488372 0.2014013 0.2367570), wk = 0.0033445 k( 172) = ( 0.3604651 0.2081146 0.2367570), wk = 0.0033445 k( 173) = ( 0.3720930 0.2148280 0.2367570), wk = 0.0033445 k( 174) = ( 0.3837209 0.2215414 0.2367570), wk = 0.0033445 k( 175) = ( 0.3953488 0.2282548 0.2367570), wk = 0.0033445 k( 176) = ( 0.4069767 0.2349681 0.2367570), wk = 0.0033445 k( 177) = ( 0.4186047 0.2416815 0.2367570), wk = 0.0033445 k( 178) = ( 0.4302326 0.2483949 0.2367570), wk = 0.0033445 k( 179) = ( 0.4418605 0.2551083 0.2367570), wk = 0.0033445 k( 180) = ( 0.4534884 0.2618216 0.2367570), wk = 0.0033445 k( 181) = ( 0.4651163 0.2685350 0.2367570), wk = 0.0033445 k( 182) = ( 0.4767442 0.2752484 0.2367570), wk = 0.0033445 k( 183) = ( 0.4883721 0.2819618 0.2367570), wk = 0.0033445 k( 184) = ( 0.5000000 0.2886751 0.2367570), wk = 0.0033445 k( 185) = ( 0.5000000 0.2886751 0.2367570), wk = 0.0033445 k( 186) = ( 0.4933333 0.3002221 0.2367570), wk = 0.0033445 k( 187) = ( 0.4866667 0.3117692 0.2367570), wk = 0.0033445 k( 188) = ( 0.4800000 0.3233162 0.2367570), wk = 0.0033445 k( 189) = ( 0.4733333 0.3348632 0.2367570), wk = 0.0033445 k( 190) = ( 0.4666667 0.3464102 0.2367570), wk = 0.0033445 k( 191) = ( 0.4600000 0.3579572 0.2367570), wk = 0.0033445 k( 192) = ( 0.4533333 0.3695042 0.2367570), wk = 0.0033445 k( 193) = ( 0.4466667 0.3810512 0.2367570), wk = 0.0033445 k( 194) = ( 0.4400000 0.3925982 0.2367570), wk = 0.0033445 k( 195) = ( 0.4333333 0.4041452 0.2367570), wk = 0.0033445 k( 196) = ( 0.4266667 0.4156922 0.2367570), wk = 0.0033445 k( 197) = ( 0.4200000 0.4272392 0.2367570), wk = 0.0033445 k( 198) = ( 0.4133333 0.4387862 0.2367570), wk = 0.0033445 k( 199) = ( 0.4066667 0.4503332 0.2367570), wk = 0.0033445 k( 200) = ( 0.4000000 0.4618802 0.2367570), wk = 0.0033445 k( 201) = ( 0.3933333 0.4734272 0.2367570), wk = 0.0033445 k( 202) = ( 0.3866667 0.4849742 0.2367570), wk = 0.0033445 k( 203) = ( 0.3800000 0.4965212 0.2367570), wk = 0.0033445 k( 204) = ( 0.3733333 0.5080682 0.2367570), wk = 0.0033445 k( 205) = ( 0.3666667 0.5196152 0.2367570), wk = 0.0033445 k( 206) = ( 0.3600000 0.5311622 0.2367570), wk = 0.0033445 k( 207) = ( 0.3533333 0.5427092 0.2367570), wk = 0.0033445 k( 208) = ( 0.3466667 0.5542563 0.2367570), wk = 0.0033445 k( 209) = ( 0.3400000 0.5658033 0.2367570), wk = 0.0033445 k( 210) = ( 0.3333333 0.5773503 0.2367570), wk = 0.0033445 k( 211) = ( 0.3333333 0.5773503 0.2367570), wk = 0.0033445 k( 212) = ( 0.3266667 0.5658033 0.2367570), wk = 0.0033445 k( 213) = ( 0.3200000 0.5542563 0.2367570), wk = 0.0033445 k( 214) = ( 0.3133333 0.5427092 0.2367570), wk = 0.0033445 k( 215) = ( 0.3066667 0.5311623 0.2367570), wk = 0.0033445 k( 216) = ( 0.3000000 0.5196152 0.2367570), wk = 0.0033445 k( 217) = ( 0.2933333 0.5080682 0.2367570), wk = 0.0033445 k( 218) = ( 0.2866667 0.4965212 0.2367570), wk = 0.0033445 k( 219) = ( 0.2800000 0.4849742 0.2367570), wk = 0.0033445 k( 220) = ( 0.2733333 0.4734272 0.2367570), wk = 0.0033445 k( 221) = ( 0.2666667 0.4618802 0.2367570), wk = 0.0033445 k( 222) = ( 0.2600000 0.4503332 0.2367570), wk = 0.0033445 k( 223) = ( 0.2533333 0.4387862 0.2367570), wk = 0.0033445 k( 224) = ( 0.2466667 0.4272392 0.2367570), wk = 0.0033445 k( 225) = ( 0.2400000 0.4156922 0.2367570), wk = 0.0033445 k( 226) = ( 0.2333333 0.4041452 0.2367570), wk = 0.0033445 k( 227) = ( 0.2266667 0.3925982 0.2367570), wk = 0.0033445 k( 228) = ( 0.2200000 0.3810512 0.2367570), wk = 0.0033445 k( 229) = ( 0.2133333 0.3695042 0.2367570), wk = 0.0033445 k( 230) = ( 0.2066667 0.3579572 0.2367570), wk = 0.0033445 k( 231) = ( 0.2000000 0.3464102 0.2367570), wk = 0.0033445 k( 232) = ( 0.1933333 0.3348632 0.2367570), wk = 0.0033445 k( 233) = ( 0.1866667 0.3233162 0.2367570), wk = 0.0033445 k( 234) = ( 0.1800000 0.3117691 0.2367570), wk = 0.0033445 k( 235) = ( 0.1733333 0.3002221 0.2367570), wk = 0.0033445 k( 236) = ( 0.1666667 0.2886751 0.2367570), wk = 0.0033445 k( 237) = ( 0.1600000 0.2771281 0.2367570), wk = 0.0033445 k( 238) = ( 0.1533333 0.2655811 0.2367570), wk = 0.0033445 k( 239) = ( 0.1466667 0.2540341 0.2367570), wk = 0.0033445 k( 240) = ( 0.1400000 0.2424871 0.2367570), wk = 0.0033445 k( 241) = ( 0.1333333 0.2309401 0.2367570), wk = 0.0033445 k( 242) = ( 0.1266667 0.2193931 0.2367570), wk = 0.0033445 k( 243) = ( 0.1200000 0.2078461 0.2367570), wk = 0.0033445 k( 244) = ( 0.1133333 0.1962991 0.2367570), wk = 0.0033445 k( 245) = ( 0.1066667 0.1847521 0.2367570), wk = 0.0033445 k( 246) = ( 0.1000000 0.1732051 0.2367570), wk = 0.0033445 k( 247) = ( 0.0933333 0.1616581 0.2367570), wk = 0.0033445 k( 248) = ( 0.0866667 0.1501111 0.2367570), wk = 0.0033445 k( 249) = ( 0.0800000 0.1385641 0.2367570), wk = 0.0033445 k( 250) = ( 0.0733333 0.1270171 0.2367570), wk = 0.0033445 k( 251) = ( 0.0666667 0.1154701 0.2367570), wk = 0.0033445 k( 252) = ( 0.0600000 0.1039230 0.2367570), wk = 0.0033445 k( 253) = ( 0.0533333 0.0923760 0.2367570), wk = 0.0033445 k( 254) = ( 0.0466667 0.0808290 0.2367570), wk = 0.0033445 k( 255) = ( 0.0400000 0.0692820 0.2367570), wk = 0.0033445 k( 256) = ( 0.0333333 0.0577350 0.2367570), wk = 0.0033445 k( 257) = ( 0.0266667 0.0461880 0.2367570), wk = 0.0033445 k( 258) = ( 0.0200000 0.0346410 0.2367570), wk = 0.0033445 k( 259) = ( 0.0133333 0.0230940 0.2367570), wk = 0.0033445 k( 260) = ( 0.0066667 0.0115470 0.2367570), wk = 0.0033445 k( 261) = ( 0.0000000 0.0000000 0.2367570), wk = 0.0033445 k( 262) = ( 0.5000000 0.2886751 0.2367570), wk = 0.0033445 k( 263) = ( 0.5000000 0.2886751 0.2236038), wk = 0.0033445 k( 264) = ( 0.5000000 0.2886751 0.2104507), wk = 0.0033445 k( 265) = ( 0.5000000 0.2886751 0.1972975), wk = 0.0033445 k( 266) = ( 0.5000000 0.2886751 0.1841443), wk = 0.0033445 k( 267) = ( 0.5000000 0.2886751 0.1709912), wk = 0.0033445 k( 268) = ( 0.5000000 0.2886751 0.1578380), wk = 0.0033445 k( 269) = ( 0.5000000 0.2886751 0.1446848), wk = 0.0033445 k( 270) = ( 0.5000000 0.2886751 0.1315317), wk = 0.0033445 k( 271) = ( 0.5000000 0.2886751 0.1183785), wk = 0.0033445 k( 272) = ( 0.5000000 0.2886751 0.1052253), wk = 0.0033445 k( 273) = ( 0.5000000 0.2886751 0.0920722), wk = 0.0033445 k( 274) = ( 0.5000000 0.2886751 0.0789190), wk = 0.0033445 k( 275) = ( 0.5000000 0.2886751 0.0657658), wk = 0.0033445 k( 276) = ( 0.5000000 0.2886751 0.0526127), wk = 0.0033445 k( 277) = ( 0.5000000 0.2886751 0.0394595), wk = 0.0033445 k( 278) = ( 0.5000000 0.2886751 0.0263063), wk = 0.0033445 k( 279) = ( 0.5000000 0.2886751 0.0131532), wk = 0.0033445 k( 280) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033445 k( 281) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033445 k( 282) = ( 0.3333333 0.5773503 0.0131532), wk = 0.0033445 k( 283) = ( 0.3333333 0.5773503 0.0263063), wk = 0.0033445 k( 284) = ( 0.3333333 0.5773503 0.0394595), wk = 0.0033445 k( 285) = ( 0.3333333 0.5773503 0.0526127), wk = 0.0033445 k( 286) = ( 0.3333333 0.5773503 0.0657658), wk = 0.0033445 k( 287) = ( 0.3333333 0.5773503 0.0789190), wk = 0.0033445 k( 288) = ( 0.3333333 0.5773503 0.0920722), wk = 0.0033445 k( 289) = ( 0.3333333 0.5773503 0.1052253), wk = 0.0033445 k( 290) = ( 0.3333333 0.5773503 0.1183785), wk = 0.0033445 k( 291) = ( 0.3333333 0.5773503 0.1315317), wk = 0.0033445 k( 292) = ( 0.3333333 0.5773503 0.1446848), wk = 0.0033445 k( 293) = ( 0.3333333 0.5773503 0.1578380), wk = 0.0033445 k( 294) = ( 0.3333333 0.5773503 0.1709912), wk = 0.0033445 k( 295) = ( 0.3333333 0.5773503 0.1841443), wk = 0.0033445 k( 296) = ( 0.3333333 0.5773503 0.1972975), wk = 0.0033445 k( 297) = ( 0.3333333 0.5773503 0.2104507), wk = 0.0033445 k( 298) = ( 0.3333333 0.5773503 0.2236038), wk = 0.0033445 k( 299) = ( 0.3333333 0.5773503 0.2367570), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0348837 -0.0000000 -0.0000000), wk = 0.0033445 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0033445 k( 6) = ( 0.0581395 0.0000000 -0.0000000), wk = 0.0033445 k( 7) = ( 0.0697674 -0.0000000 -0.0000000), wk = 0.0033445 k( 8) = ( 0.0813954 -0.0000000 -0.0000000), wk = 0.0033445 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0033445 k( 10) = ( 0.1046512 -0.0000000 -0.0000000), wk = 0.0033445 k( 11) = ( 0.1162791 0.0000000 -0.0000000), wk = 0.0033445 k( 12) = ( 0.1279070 -0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1395349 -0.0000000 -0.0000000), wk = 0.0033445 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1627907 -0.0000000 -0.0000000), wk = 0.0033445 k( 16) = ( 0.1744186 0.0000000 0.0000000), wk = 0.0033445 k( 17) = ( 0.1860465 0.0000000 -0.0000000), wk = 0.0033445 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0033445 k( 19) = ( 0.2093023 -0.0000000 -0.0000000), wk = 0.0033445 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033445 k( 21) = ( 0.2325581 0.0000000 -0.0000000), wk = 0.0033445 k( 22) = ( 0.2441860 0.0000000 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2558140 -0.0000000 0.0000000), wk = 0.0033445 k( 24) = ( 0.2674419 -0.0000000 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2790698 -0.0000000 -0.0000000), wk = 0.0033445 k( 26) = ( 0.2906977 -0.0000000 -0.0000000), wk = 0.0033445 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033445 k( 29) = ( 0.3255814 -0.0000000 -0.0000000), wk = 0.0033445 k( 30) = ( 0.3372093 -0.0000000 -0.0000000), wk = 0.0033445 k( 31) = ( 0.3488372 -0.0000000 -0.0000000), wk = 0.0033445 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3720930 0.0000000 -0.0000000), wk = 0.0033445 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0033445 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0033445 k( 36) = ( 0.4069767 -0.0000000 0.0000000), wk = 0.0033445 k( 37) = ( 0.4186047 -0.0000000 -0.0000000), wk = 0.0033445 k( 38) = ( 0.4302326 -0.0000000 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4418605 -0.0000000 -0.0000000), wk = 0.0033445 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0033445 k( 41) = ( 0.4651163 0.0000000 -0.0000000), wk = 0.0033445 k( 42) = ( 0.4767442 -0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0033445 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033445 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0033445 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033445 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033445 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033445 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0033445 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0033445 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0033445 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033445 k( 56) = ( 0.4266667 0.1466667 -0.0000000), wk = 0.0033445 k( 57) = ( 0.4200000 0.1600000 -0.0000000), wk = 0.0033445 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0033445 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0033445 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0033445 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033445 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033445 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0033445 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0033445 k( 65) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0033445 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033445 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033445 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0033445 k( 69) = ( 0.3400000 0.3200000 -0.0000000), wk = 0.0033445 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0033445 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0033445 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0033445 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0033445 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033445 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0033445 k( 78) = ( 0.2866667 0.2866667 -0.0000000), wk = 0.0033445 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0033445 k( 80) = ( 0.2733333 0.2733333 0.0000000), wk = 0.0033445 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033445 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0033445 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0033445 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0033445 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0033445 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033445 k( 87) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0033445 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033445 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0033445 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0033445 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033445 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033445 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0033445 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0033445 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0033445 k( 96) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0033445 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0033445 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0033445 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0033445 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0033445 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033445 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0033445 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0033445 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0033445 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0033445 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033445 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0033445 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0033445 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0033445 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0033445 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033445 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0033445 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0033445 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033445 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0033445 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033445 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0033445 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0033445 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0033445 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033445 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 123) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0033445 k( 124) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033445 k( 125) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0033445 k( 126) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033445 k( 127) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0033445 k( 128) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033445 k( 129) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0033445 k( 130) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033445 k( 131) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0033445 k( 132) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033445 k( 133) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0033445 k( 134) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033445 k( 135) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0033445 k( 136) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033445 k( 137) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0033445 k( 138) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033445 k( 139) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0033445 k( 140) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 142) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0033445 k( 143) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0033445 k( 144) = ( 0.0348837 -0.0000000 0.5000000), wk = 0.0033445 k( 145) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0033445 k( 146) = ( 0.0581395 0.0000000 0.5000000), wk = 0.0033445 k( 147) = ( 0.0697674 -0.0000000 0.5000000), wk = 0.0033445 k( 148) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0033445 k( 149) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0033445 k( 150) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0033445 k( 151) = ( 0.1162791 0.0000000 0.5000000), wk = 0.0033445 k( 152) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0033445 k( 153) = ( 0.1395349 -0.0000000 0.5000000), wk = 0.0033445 k( 154) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0033445 k( 155) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0033445 k( 156) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0033445 k( 157) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0033445 k( 158) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0033445 k( 159) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0033445 k( 160) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0033445 k( 161) = ( 0.2325581 0.0000000 0.5000000), wk = 0.0033445 k( 162) = ( 0.2441860 0.0000000 0.5000000), wk = 0.0033445 k( 163) = ( 0.2558140 -0.0000000 0.5000000), wk = 0.0033445 k( 164) = ( 0.2674419 -0.0000000 0.5000000), wk = 0.0033445 k( 165) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0033445 k( 166) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0033445 k( 167) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0033445 k( 168) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033445 k( 169) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0033445 k( 170) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0033445 k( 171) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0033445 k( 172) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0033445 k( 173) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0033445 k( 174) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0033445 k( 175) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0033445 k( 176) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0033445 k( 177) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0033445 k( 178) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0033445 k( 179) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0033445 k( 180) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033445 k( 181) = ( 0.4651163 0.0000000 0.5000000), wk = 0.0033445 k( 182) = ( 0.4767442 -0.0000000 0.5000000), wk = 0.0033445 k( 183) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0033445 k( 184) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 186) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033445 k( 187) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033445 k( 188) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033445 k( 189) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033445 k( 190) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033445 k( 191) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033445 k( 192) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033445 k( 193) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033445 k( 194) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033445 k( 195) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033445 k( 196) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033445 k( 197) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033445 k( 198) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033445 k( 199) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033445 k( 200) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033445 k( 201) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033445 k( 202) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033445 k( 203) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033445 k( 204) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033445 k( 205) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033445 k( 206) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033445 k( 207) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033445 k( 208) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033445 k( 209) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033445 k( 210) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 k( 212) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033445 k( 213) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033445 k( 214) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033445 k( 215) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033445 k( 216) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033445 k( 217) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033445 k( 218) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033445 k( 219) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033445 k( 220) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033445 k( 221) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033445 k( 222) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033445 k( 223) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033445 k( 224) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033445 k( 225) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033445 k( 226) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033445 k( 227) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033445 k( 228) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033445 k( 229) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033445 k( 230) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033445 k( 231) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033445 k( 232) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033445 k( 233) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033445 k( 234) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033445 k( 235) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033445 k( 236) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033445 k( 237) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033445 k( 238) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033445 k( 239) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033445 k( 240) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033445 k( 241) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033445 k( 242) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033445 k( 243) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033445 k( 244) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033445 k( 245) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033445 k( 246) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033445 k( 247) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033445 k( 248) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033445 k( 249) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033445 k( 250) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033445 k( 251) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033445 k( 252) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033445 k( 253) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033445 k( 254) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033445 k( 255) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033445 k( 256) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033445 k( 257) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033445 k( 258) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033445 k( 259) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033445 k( 260) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033445 k( 261) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033445 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033445 k( 263) = ( 0.5000000 0.0000000 0.4722222), wk = 0.0033445 k( 264) = ( 0.5000000 0.0000000 0.4444444), wk = 0.0033445 k( 265) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0033445 k( 266) = ( 0.5000000 0.0000000 0.3888889), wk = 0.0033445 k( 267) = ( 0.5000000 0.0000000 0.3611111), wk = 0.0033445 k( 268) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0033445 k( 269) = ( 0.5000000 0.0000000 0.3055556), wk = 0.0033445 k( 270) = ( 0.5000000 0.0000000 0.2777778), wk = 0.0033445 k( 271) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0033445 k( 272) = ( 0.5000000 0.0000000 0.2222222), wk = 0.0033445 k( 273) = ( 0.5000000 0.0000000 0.1944444), wk = 0.0033445 k( 274) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0033445 k( 275) = ( 0.5000000 0.0000000 0.1388889), wk = 0.0033445 k( 276) = ( 0.5000000 0.0000000 0.1111111), wk = 0.0033445 k( 277) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0033445 k( 278) = ( 0.5000000 0.0000000 0.0555556), wk = 0.0033445 k( 279) = ( 0.5000000 0.0000000 0.0277778), wk = 0.0033445 k( 280) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033445 k( 281) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033445 k( 282) = ( 0.3333333 0.3333333 0.0277778), wk = 0.0033445 k( 283) = ( 0.3333333 0.3333333 0.0555556), wk = 0.0033445 k( 284) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0033445 k( 285) = ( 0.3333333 0.3333333 0.1111111), wk = 0.0033445 k( 286) = ( 0.3333333 0.3333333 0.1388889), wk = 0.0033445 k( 287) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0033445 k( 288) = ( 0.3333333 0.3333333 0.1944444), wk = 0.0033445 k( 289) = ( 0.3333333 0.3333333 0.2222222), wk = 0.0033445 k( 290) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0033445 k( 291) = ( 0.3333333 0.3333333 0.2777778), wk = 0.0033445 k( 292) = ( 0.3333333 0.3333333 0.3055556), wk = 0.0033445 k( 293) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033445 k( 294) = ( 0.3333333 0.3333333 0.3611111), wk = 0.0033445 k( 295) = ( 0.3333333 0.3333333 0.3888889), wk = 0.0033445 k( 296) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0033445 k( 297) = ( 0.3333333 0.3333333 0.4444444), wk = 0.0033445 k( 298) = ( 0.3333333 0.3333333 0.4722222), wk = 0.0033445 k( 299) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033445 Dense grid: 143741 G-vectors FFT dimensions: ( 54, 54, 120) Smooth grid: 33621 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 240, 60) NL pseudopotentials 0.30 Mb ( 120, 164) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 4000) G-vector shells 0.02 Mb ( 1995) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 240, 240) Each subspace H/S matrix 0.05 Mb ( 60, 60) Each matrix 0.30 Mb ( 164, 2, 60) The potential is recalculated from file : ./SrAsPt.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4.2 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 5.9 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.7 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 9.4 secs Computing kpt #: 5 total cpu time spent up to now is 10.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.9 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.9 secs Computing kpt #: 9 total cpu time spent up to now is 14.7 secs Computing kpt #: 10 total cpu time spent up to now is 15.5 secs Computing kpt #: 11 total cpu time spent up to now is 16.3 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 17.7 secs Computing kpt #: 14 total cpu time spent up to now is 18.4 secs Computing kpt #: 15 total cpu time spent up to now is 19.1 secs Computing kpt #: 16 total cpu time spent up to now is 19.7 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.0 secs Computing kpt #: 19 total cpu time spent up to now is 21.7 secs Computing kpt #: 20 total cpu time spent up to now is 22.3 secs Computing kpt #: 21 total cpu time spent up to now is 23.1 secs Computing kpt #: 22 total cpu time spent up to now is 23.8 secs Computing kpt #: 23 total cpu time spent up to now is 24.6 secs Computing kpt #: 24 total cpu time spent up to now is 25.5 secs Computing kpt #: 25 total cpu time spent up to now is 26.5 secs Computing kpt #: 26 total cpu time spent up to now is 27.6 secs Computing kpt #: 27 total cpu time spent up to now is 28.4 secs Computing kpt #: 28 total cpu time spent up to now is 29.1 secs Computing kpt #: 29 total cpu time spent up to now is 29.8 secs Computing kpt #: 30 total cpu time spent up to now is 30.5 secs Computing kpt #: 31 total cpu time spent up to now is 31.1 secs Computing kpt #: 32 total cpu time spent up to now is 31.7 secs Computing kpt #: 33 total cpu time spent up to now is 32.4 secs Computing kpt #: 34 total cpu time spent up to now is 33.1 secs Computing kpt #: 35 total cpu time spent up to now is 33.8 secs Computing kpt #: 36 total cpu time spent up to now is 34.4 secs Computing kpt #: 37 total cpu time spent up to now is 35.1 secs Computing kpt #: 38 total cpu time spent up to now is 35.8 secs Computing kpt #: 39 total cpu time spent up to now is 36.6 secs Computing kpt #: 40 total cpu time spent up to now is 37.4 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.1 secs Computing kpt #: 43 total cpu time spent up to now is 40.0 secs Computing kpt #: 44 total cpu time spent up to now is 41.0 secs Computing kpt #: 45 total cpu time spent up to now is 42.1 secs Computing kpt #: 46 total cpu time spent up to now is 43.2 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 45.3 secs Computing kpt #: 49 total cpu time spent up to now is 46.0 secs Computing kpt #: 50 total cpu time spent up to now is 46.9 secs Computing kpt #: 51 total cpu time spent up to now is 48.0 secs Computing kpt #: 52 total cpu time spent up to now is 48.7 secs Computing kpt #: 53 total cpu time spent up to now is 49.4 secs Computing kpt #: 54 total cpu time spent up to now is 50.0 secs Computing kpt #: 55 total cpu time spent up to now is 50.6 secs Computing kpt #: 56 total cpu time spent up to now is 51.3 secs Computing kpt #: 57 total cpu time spent up to now is 51.9 secs Computing kpt #: 58 total cpu time spent up to now is 52.5 secs Computing kpt #: 59 total cpu time spent up to now is 53.1 secs Computing kpt #: 60 total cpu time spent up to now is 53.8 secs Computing kpt #: 61 total cpu time spent up to now is 54.4 secs Computing kpt #: 62 total cpu time spent up to now is 55.0 secs Computing kpt #: 63 total cpu time spent up to now is 55.6 secs Computing kpt #: 64 total cpu time spent up to now is 56.2 secs Computing kpt #: 65 total cpu time spent up to now is 56.8 secs Computing kpt #: 66 total cpu time spent up to now is 57.4 secs Computing kpt #: 67 total cpu time spent up to now is 58.0 secs Computing kpt #: 68 total cpu time spent up to now is 58.7 secs Computing kpt #: 69 total cpu time spent up to now is 59.3 secs Computing kpt #: 70 total cpu time spent up to now is 59.9 secs Computing kpt #: 71 total cpu time spent up to now is 60.5 secs Computing kpt #: 72 total cpu time spent up to now is 61.1 secs Computing kpt #: 73 total cpu time spent up to now is 61.7 secs Computing kpt #: 74 total cpu time spent up to now is 62.4 secs Computing kpt #: 75 total cpu time spent up to now is 63.0 secs Computing kpt #: 76 total cpu time spent up to now is 63.6 secs Computing kpt #: 77 total cpu time spent up to now is 64.2 secs Computing kpt #: 78 total cpu time spent up to now is 64.8 secs Computing kpt #: 79 total cpu time spent up to now is 65.4 secs Computing kpt #: 80 total cpu time spent up to now is 66.0 secs Computing kpt #: 81 total cpu time spent up to now is 66.6 secs Computing kpt #: 82 total cpu time spent up to now is 67.2 secs Computing kpt #: 83 total cpu time spent up to now is 67.9 secs Computing kpt #: 84 total cpu time spent up to now is 68.5 secs Computing kpt #: 85 total cpu time spent up to now is 69.1 secs Computing kpt #: 86 total cpu time spent up to now is 69.7 secs Computing kpt #: 87 total cpu time spent up to now is 70.4 secs Computing kpt #: 88 total cpu time spent up to now is 71.0 secs Computing kpt #: 89 total cpu time spent up to now is 71.7 secs Computing kpt #: 90 total cpu time spent up to now is 72.3 secs Computing kpt #: 91 total cpu time spent up to now is 73.1 secs Computing kpt #: 92 total cpu time spent up to now is 74.0 secs Computing kpt #: 93 total cpu time spent up to now is 75.1 secs Computing kpt #: 94 total cpu time spent up to now is 76.1 secs Computing kpt #: 95 total cpu time spent up to now is 77.0 secs Computing kpt #: 96 total cpu time spent up to now is 78.1 secs Computing kpt #: 97 total cpu time spent up to now is 79.1 secs Computing kpt #: 98 total cpu time spent up to now is 79.8 secs Computing kpt #: 99 total cpu time spent up to now is 80.5 secs Computing kpt #: 100 total cpu time spent up to now is 81.1 secs Computing kpt #: 101 total cpu time spent up to now is 81.8 secs Computing kpt #: 102 total cpu time spent up to now is 82.5 secs Computing kpt #: 103 total cpu time spent up to now is 83.0 secs Computing kpt #: 104 total cpu time spent up to now is 83.6 secs Computing kpt #: 105 total cpu time spent up to now is 84.2 secs Computing kpt #: 106 total cpu time spent up to now is 84.9 secs Computing kpt #: 107 total cpu time spent up to now is 85.6 secs Computing kpt #: 108 total cpu time spent up to now is 86.2 secs Computing kpt #: 109 total cpu time spent up to now is 86.9 secs Computing kpt #: 110 total cpu time spent up to now is 87.7 secs Computing kpt #: 111 total cpu time spent up to now is 88.9 secs Computing kpt #: 112 total cpu time spent up to now is 89.7 secs Computing kpt #: 113 total cpu time spent up to now is 90.6 secs Computing kpt #: 114 total cpu time spent up to now is 91.6 secs Computing kpt #: 115 total cpu time spent up to now is 92.6 secs Computing kpt #: 116 total cpu time spent up to now is 93.7 secs Computing kpt #: 117 total cpu time spent up to now is 95.3 secs Computing kpt #: 118 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 97.0 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 100.5 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.2 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 103.9 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 105.6 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 107.4 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.1 secs Computing kpt #: 126 total cpu time spent up to now is 109.9 secs Computing kpt #: 127 total cpu time spent up to now is 110.7 secs Computing kpt #: 128 total cpu time spent up to now is 111.5 secs Computing kpt #: 129 total cpu time spent up to now is 112.2 secs Computing kpt #: 130 total cpu time spent up to now is 112.9 secs Computing kpt #: 131 total cpu time spent up to now is 113.6 secs Computing kpt #: 132 total cpu time spent up to now is 114.2 secs Computing kpt #: 133 total cpu time spent up to now is 114.9 secs Computing kpt #: 134 total cpu time spent up to now is 115.6 secs Computing kpt #: 135 total cpu time spent up to now is 116.3 secs Computing kpt #: 136 total cpu time spent up to now is 116.9 secs Computing kpt #: 137 total cpu time spent up to now is 117.6 secs Computing kpt #: 138 total cpu time spent up to now is 118.3 secs Computing kpt #: 139 total cpu time spent up to now is 118.9 secs Computing kpt #: 140 total cpu time spent up to now is 119.5 secs Computing kpt #: 141 total cpu time spent up to now is 120.1 secs Computing kpt #: 142 total cpu time spent up to now is 120.7 secs Computing kpt #: 143 total cpu time spent up to now is 121.3 secs Computing kpt #: 144 total cpu time spent up to now is 121.9 secs Computing kpt #: 145 total cpu time spent up to now is 122.5 secs Computing kpt #: 146 total cpu time spent up to now is 123.1 secs Computing kpt #: 147 total cpu time spent up to now is 123.8 secs Computing kpt #: 148 total cpu time spent up to now is 124.4 secs Computing kpt #: 149 total cpu time spent up to now is 125.0 secs Computing kpt #: 150 total cpu time spent up to now is 125.6 secs Computing kpt #: 151 total cpu time spent up to now is 126.2 secs Computing kpt #: 152 total cpu time spent up to now is 126.9 secs Computing kpt #: 153 total cpu time spent up to now is 127.5 secs Computing kpt #: 154 total cpu time spent up to now is 128.1 secs Computing kpt #: 155 total cpu time spent up to now is 128.7 secs Computing kpt #: 156 total cpu time spent up to now is 129.3 secs Computing kpt #: 157 total cpu time spent up to now is 129.9 secs Computing kpt #: 158 total cpu time spent up to now is 130.5 secs Computing kpt #: 159 total cpu time spent up to now is 131.1 secs Computing kpt #: 160 total cpu time spent up to now is 131.7 secs Computing kpt #: 161 total cpu time spent up to now is 132.3 secs Computing kpt #: 162 total cpu time spent up to now is 132.9 secs Computing kpt #: 163 total cpu time spent up to now is 133.4 secs Computing kpt #: 164 total cpu time spent up to now is 135.1 secs Computing kpt #: 165 total cpu time spent up to now is 135.7 secs Computing kpt #: 166 total cpu time spent up to now is 136.3 secs Computing kpt #: 167 total cpu time spent up to now is 136.9 secs Computing kpt #: 168 total cpu time spent up to now is 137.4 secs Computing kpt #: 169 total cpu time spent up to now is 138.0 secs Computing kpt #: 170 total cpu time spent up to now is 138.6 secs Computing kpt #: 171 total cpu time spent up to now is 139.1 secs Computing kpt #: 172 total cpu time spent up to now is 139.7 secs Computing kpt #: 173 total cpu time spent up to now is 140.3 secs Computing kpt #: 174 total cpu time spent up to now is 140.8 secs Computing kpt #: 175 total cpu time spent up to now is 141.4 secs Computing kpt #: 176 total cpu time spent up to now is 142.0 secs Computing kpt #: 177 total cpu time spent up to now is 142.5 secs Computing kpt #: 178 total cpu time spent up to now is 143.1 secs Computing kpt #: 179 total cpu time spent up to now is 143.6 secs Computing kpt #: 180 total cpu time spent up to now is 144.2 secs Computing kpt #: 181 total cpu time spent up to now is 144.7 secs Computing kpt #: 182 total cpu time spent up to now is 145.3 secs Computing kpt #: 183 total cpu time spent up to now is 145.8 secs Computing kpt #: 184 total cpu time spent up to now is 146.4 secs Computing kpt #: 185 total cpu time spent up to now is 146.9 secs Computing kpt #: 186 total cpu time spent up to now is 147.5 secs Computing kpt #: 187 total cpu time spent up to now is 148.1 secs Computing kpt #: 188 total cpu time spent up to now is 148.6 secs Computing kpt #: 189 total cpu time spent up to now is 149.2 secs Computing kpt #: 190 total cpu time spent up to now is 149.8 secs Computing kpt #: 191 total cpu time spent up to now is 150.4 secs Computing kpt #: 192 total cpu time spent up to now is 151.0 secs Computing kpt #: 193 total cpu time spent up to now is 151.6 secs Computing kpt #: 194 total cpu time spent up to now is 152.2 secs Computing kpt #: 195 total cpu time spent up to now is 152.9 secs Computing kpt #: 196 total cpu time spent up to now is 153.5 secs Computing kpt #: 197 total cpu time spent up to now is 154.1 secs Computing kpt #: 198 total cpu time spent up to now is 154.8 secs Computing kpt #: 199 total cpu time spent up to now is 155.5 secs Computing kpt #: 200 total cpu time spent up to now is 156.3 secs Computing kpt #: 201 total cpu time spent up to now is 157.1 secs Computing kpt #: 202 total cpu time spent up to now is 158.0 secs Computing kpt #: 203 total cpu time spent up to now is 158.9 secs Computing kpt #: 204 total cpu time spent up to now is 159.8 secs Computing kpt #: 205 total cpu time spent up to now is 160.7 secs Computing kpt #: 206 total cpu time spent up to now is 161.6 secs Computing kpt #: 207 total cpu time spent up to now is 162.5 secs Computing kpt #: 208 total cpu time spent up to now is 163.4 secs Computing kpt #: 209 total cpu time spent up to now is 164.3 secs Computing kpt #: 210 total cpu time spent up to now is 165.2 secs Computing kpt #: 211 total cpu time spent up to now is 166.2 secs Computing kpt #: 212 total cpu time spent up to now is 167.1 secs Computing kpt #: 213 total cpu time spent up to now is 168.0 secs Computing kpt #: 214 total cpu time spent up to now is 168.9 secs Computing kpt #: 215 total cpu time spent up to now is 169.7 secs Computing kpt #: 216 total cpu time spent up to now is 170.5 secs Computing kpt #: 217 total cpu time spent up to now is 171.3 secs Computing kpt #: 218 total cpu time spent up to now is 172.1 secs Computing kpt #: 219 total cpu time spent up to now is 172.8 secs Computing kpt #: 220 total cpu time spent up to now is 173.5 secs Computing kpt #: 221 total cpu time spent up to now is 174.2 secs Computing kpt #: 222 total cpu time spent up to now is 174.9 secs Computing kpt #: 223 total cpu time spent up to now is 175.6 secs Computing kpt #: 224 total cpu time spent up to now is 176.3 secs Computing kpt #: 225 total cpu time spent up to now is 177.0 secs Computing kpt #: 226 total cpu time spent up to now is 177.7 secs Computing kpt #: 227 total cpu time spent up to now is 178.4 secs Computing kpt #: 228 total cpu time spent up to now is 179.1 secs Computing kpt #: 229 total cpu time spent up to now is 179.8 secs Computing kpt #: 230 total cpu time spent up to now is 180.5 secs Computing kpt #: 231 total cpu time spent up to now is 181.3 secs Computing kpt #: 232 total cpu time spent up to now is 182.0 secs Computing kpt #: 233 total cpu time spent up to now is 182.7 secs Computing kpt #: 234 total cpu time spent up to now is 183.4 secs Computing kpt #: 235 total cpu time spent up to now is 184.2 secs Computing kpt #: 236 total cpu time spent up to now is 184.9 secs Computing kpt #: 237 total cpu time spent up to now is 185.6 secs Computing kpt #: 238 total cpu time spent up to now is 186.2 secs Computing kpt #: 239 total cpu time spent up to now is 186.9 secs Computing kpt #: 240 total cpu time spent up to now is 187.6 secs Computing kpt #: 241 total cpu time spent up to now is 188.3 secs Computing kpt #: 242 total cpu time spent up to now is 188.9 secs Computing kpt #: 243 total cpu time spent up to now is 189.6 secs Computing kpt #: 244 total cpu time spent up to now is 190.3 secs Computing kpt #: 245 total cpu time spent up to now is 190.9 secs Computing kpt #: 246 total cpu time spent up to now is 191.6 secs Computing kpt #: 247 total cpu time spent up to now is 192.2 secs Computing kpt #: 248 total cpu time spent up to now is 192.8 secs Computing kpt #: 249 total cpu time spent up to now is 193.4 secs Computing kpt #: 250 total cpu time spent up to now is 194.0 secs Computing kpt #: 251 total cpu time spent up to now is 194.6 secs Computing kpt #: 252 total cpu time spent up to now is 195.2 secs Computing kpt #: 253 total cpu time spent up to now is 195.8 secs Computing kpt #: 254 total cpu time spent up to now is 196.4 secs Computing kpt #: 255 total cpu time spent up to now is 197.0 secs Computing kpt #: 256 total cpu time spent up to now is 197.6 secs Computing kpt #: 257 total cpu time spent up to now is 198.2 secs Computing kpt #: 258 total cpu time spent up to now is 198.8 secs Computing kpt #: 259 total cpu time spent up to now is 199.4 secs Computing kpt #: 260 total cpu time spent up to now is 200.0 secs Computing kpt #: 261 total cpu time spent up to now is 200.6 secs Computing kpt #: 262 total cpu time spent up to now is 201.1 secs Computing kpt #: 263 total cpu time spent up to now is 201.7 secs Computing kpt #: 264 total cpu time spent up to now is 202.2 secs Computing kpt #: 265 total cpu time spent up to now is 202.8 secs Computing kpt #: 266 total cpu time spent up to now is 203.4 secs Computing kpt #: 267 total cpu time spent up to now is 204.1 secs Computing kpt #: 268 total cpu time spent up to now is 204.7 secs Computing kpt #: 269 total cpu time spent up to now is 205.3 secs Computing kpt #: 270 total cpu time spent up to now is 205.9 secs Computing kpt #: 271 total cpu time spent up to now is 206.5 secs Computing kpt #: 272 total cpu time spent up to now is 207.1 secs Computing kpt #: 273 total cpu time spent up to now is 207.7 secs Computing kpt #: 274 total cpu time spent up to now is 208.3 secs Computing kpt #: 275 total cpu time spent up to now is 208.9 secs Computing kpt #: 276 total cpu time spent up to now is 209.7 secs Computing kpt #: 277 total cpu time spent up to now is 210.5 secs Computing kpt #: 278 total cpu time spent up to now is 211.4 secs Computing kpt #: 279 total cpu time spent up to now is 212.3 secs Computing kpt #: 280 total cpu time spent up to now is 213.3 secs Computing kpt #: 281 total cpu time spent up to now is 214.0 secs Computing kpt #: 282 total cpu time spent up to now is 214.6 secs Computing kpt #: 283 total cpu time spent up to now is 215.2 secs Computing kpt #: 284 total cpu time spent up to now is 215.8 secs Computing kpt #: 285 total cpu time spent up to now is 216.4 secs Computing kpt #: 286 total cpu time spent up to now is 217.1 secs Computing kpt #: 287 total cpu time spent up to now is 217.7 secs Computing kpt #: 288 total cpu time spent up to now is 218.4 secs Computing kpt #: 289 total cpu time spent up to now is 219.0 secs Computing kpt #: 290 total cpu time spent up to now is 219.7 secs Computing kpt #: 291 total cpu time spent up to now is 220.4 secs Computing kpt #: 292 total cpu time spent up to now is 221.3 secs Computing kpt #: 293 total cpu time spent up to now is 222.2 secs Computing kpt #: 294 total cpu time spent up to now is 222.9 secs Computing kpt #: 295 total cpu time spent up to now is 223.6 secs Computing kpt #: 296 total cpu time spent up to now is 224.3 secs Computing kpt #: 297 total cpu time spent up to now is 225.1 secs Computing kpt #: 298 total cpu time spent up to now is 226.0 secs Computing kpt #: 299 total cpu time spent up to now is 227.0 secs ethr = 2.00E-08, avg # of iterations = 32.6 total cpu time spent up to now is 227.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -24.8602 -24.8602 -24.8562 -24.8562 -7.7141 -7.7141 -7.6591 -7.6591 -6.6631 -6.6631 -6.5305 -6.5305 -6.5011 -6.5011 -6.4909 -6.4909 -1.9017 -1.9017 -1.4194 -1.4194 4.5018 4.5018 4.6522 4.6522 5.0214 5.0214 5.1972 5.1972 6.0469 6.0469 6.2167 6.2167 6.6858 6.6858 7.2054 7.2054 7.3157 7.3157 7.6371 7.6371 8.0177 8.0177 8.4125 8.4125 10.9538 10.9538 11.2045 11.2045 11.4104 11.4104 11.4977 11.4977 12.2677 12.2677 12.4697 12.4697 12.4911 12.4911 13.7796 13.7815 k = 0.0116 0.0067-0.0000 ( 4205 PWs) bands (ev): -24.8602 -24.8602 -24.8562 -24.8562 -7.7141 -7.7141 -7.6592 -7.6592 -6.6631 -6.6631 -6.5306 -6.5306 -6.5014 -6.5014 -6.4911 -6.4911 -1.9005 -1.9005 -1.4190 -1.4190 4.5023 4.5023 4.6521 4.6521 5.0218 5.0218 5.1969 5.1969 6.0460 6.0460 6.2169 6.2169 6.6872 6.6872 7.2052 7.2052 7.3144 7.3144 7.6377 7.6377 8.0176 8.0176 8.4148 8.4148 10.9504 10.9504 11.1747 11.1747 11.3584 11.3584 11.5765 11.5765 12.2538 12.2538 12.4552 12.4552 12.5034 12.5034 13.7804 13.7807 k = 0.0233 0.0134-0.0000 ( 4201 PWs) bands (ev): -24.8601 -24.8601 -24.8562 -24.8562 -7.7142 -7.7142 -7.6595 -7.6595 -6.6630 -6.6630 -6.5307 -6.5307 -6.5020 -6.5020 -6.4916 -6.4916 -1.8969 -1.8969 -1.4176 -1.4176 4.5039 4.5039 4.6519 4.6519 5.0230 5.0230 5.1961 5.1961 6.0433 6.0433 6.2177 6.2177 6.6914 6.6914 7.2044 7.2044 7.3107 7.3107 7.6396 7.6396 8.0172 8.0172 8.4218 8.4218 10.9395 10.9395 11.0901 11.0901 11.3159 11.3159 11.6951 11.6951 12.2159 12.2159 12.4267 12.4267 12.5230 12.5230 13.7785 13.7786 k = 0.0349 0.0201-0.0000 ( 4201 PWs) bands (ev): -24.8601 -24.8601 -24.8561 -24.8561 -7.7143 -7.7143 -7.6599 -7.6599 -6.6628 -6.6628 -6.5310 -6.5310 -6.5031 -6.5031 -6.4925 -6.4925 -1.8908 -1.8908 -1.4154 -1.4154 4.5065 4.5065 4.6514 4.6514 5.0251 5.0251 5.1949 5.1949 6.0389 6.0389 6.2188 6.2188 6.6982 6.6982 7.2028 7.2028 7.3051 7.3051 7.6428 7.6428 8.0166 8.0166 8.4333 8.4333 10.9149 10.9149 10.9821 10.9821 11.2911 11.2911 11.8184 11.8184 12.1618 12.1618 12.3886 12.3886 12.5436 12.5436 13.7648 13.7648 k = 0.0465 0.0269-0.0000 ( 4195 PWs) bands (ev): -24.8599 -24.8599 -24.8560 -24.8560 -7.7144 -7.7144 -7.6606 -7.6606 -6.6625 -6.6625 -6.5314 -6.5314 -6.5046 -6.5046 -6.4937 -6.4937 -1.8824 -1.8824 -1.4124 -1.4124 4.5100 4.5100 4.6506 4.6506 5.0281 5.0281 5.1934 5.1934 6.0330 6.0330 6.2203 6.2203 6.7074 6.7074 7.2000 7.2000 7.2982 7.2982 7.6472 7.6472 8.0157 8.0157 8.4491 8.4491 10.8324 10.8324 10.9122 10.9122 11.2700 11.2700 11.9390 11.9390 12.0997 12.0997 12.3440 12.3440 12.5635 12.5635 13.7400 13.7400 k = 0.0581 0.0336-0.0000 ( 4195 PWs) bands (ev): -24.8598 -24.8598 -24.8559 -24.8559 -7.7146 -7.7146 -7.6615 -7.6615 -6.6622 -6.6622 -6.5320 -6.5320 -6.5064 -6.5064 -6.4953 -6.4953 -1.8715 -1.8715 -1.4084 -1.4084 4.5145 4.5145 4.6493 4.6493 5.0320 5.0320 5.1919 5.1919 6.0257 6.0257 6.2222 6.2222 6.7187 6.7187 7.1951 7.1951 7.2911 7.2911 7.6529 7.6529 8.0146 8.0146 8.4692 8.4692 10.7068 10.7068 10.8702 10.8702 11.2481 11.2481 11.9984 11.9984 12.0878 12.0878 12.2989 12.2989 12.5827 12.5827 13.7051 13.7051 k = 0.0698 0.0403-0.0000 ( 4189 PWs) bands (ev): -24.8596 -24.8596 -24.8557 -24.8557 -7.7148 -7.7148 -7.6625 -7.6625 -6.6618 -6.6618 -6.5328 -6.5328 -6.5085 -6.5085 -6.4972 -6.4972 -1.8584 -1.8584 -1.4036 -1.4036 4.5198 4.5198 4.6474 4.6474 5.0369 5.0369 5.1907 5.1907 6.0172 6.0172 6.2244 6.2244 6.7318 6.7318 7.1875 7.1875 7.2851 7.2851 7.6598 7.6598 8.0134 8.0134 8.4931 8.4931 10.5750 10.5750 10.8195 10.8195 11.2245 11.2245 11.9309 11.9309 12.1741 12.1741 12.2769 12.2769 12.6015 12.6015 13.6607 13.6607 k = 0.0814 0.0470-0.0000 ( 4181 PWs) bands (ev): -24.8594 -24.8594 -24.8555 -24.8555 -7.7151 -7.7151 -7.6637 -7.6637 -6.6613 -6.6613 -6.5338 -6.5338 -6.5109 -6.5109 -6.4993 -6.4993 -1.8430 -1.8430 -1.3980 -1.3980 4.5258 4.5258 4.6446 4.6446 5.0429 5.0429 5.1901 5.1901 6.0078 6.0078 6.2266 6.2266 6.7461 6.7461 7.1765 7.1765 7.2812 7.2812 7.6680 7.6680 8.0122 8.0122 8.5207 8.5207 10.4412 10.4412 10.7560 10.7560 11.1985 11.1985 11.8477 11.8477 12.1759 12.1759 12.3535 12.3535 12.6205 12.6205 13.6072 13.6072 k = 0.0930 0.0537-0.0000 ( 4164 PWs) bands (ev): -24.8592 -24.8592 -24.8553 -24.8553 -7.7155 -7.7155 -7.6651 -7.6651 -6.6607 -6.6607 -6.5352 -6.5352 -6.5133 -6.5133 -6.5018 -6.5018 -1.8254 -1.8254 -1.3915 -1.3915 4.5325 4.5325 4.6409 4.6409 5.0500 5.0500 5.1906 5.1906 5.9976 5.9976 6.2290 6.2290 6.7615 6.7615 7.1622 7.1622 7.2796 7.2796 7.6775 7.6775 8.0112 8.0112 8.5517 8.5517 10.3066 10.3066 10.6788 10.6788 11.1695 11.1695 11.7590 11.7590 12.1456 12.1456 12.4688 12.4688 12.6410 12.6410 13.5455 13.5455 k = 0.1047 0.0604-0.0000 ( 4166 PWs) bands (ev): -24.8589 -24.8589 -24.8551 -24.8551 -7.7158 -7.7158 -7.6667 -7.6667 -6.6602 -6.6602 -6.5371 -6.5371 -6.5156 -6.5156 -6.5045 -6.5045 -1.8057 -1.8057 -1.3843 -1.3843 4.5397 4.5397 4.6359 4.6359 5.0582 5.0582 5.1925 5.1925 5.9869 5.9869 6.2312 6.2312 6.7774 6.7774 7.1450 7.1450 7.2803 7.2803 7.6882 7.6882 8.0106 8.0106 8.5857 8.5857 10.1717 10.1717 10.5886 10.5886 11.1365 11.1365 11.6662 11.6662 12.1196 12.1196 12.5820 12.5820 12.6681 12.6681 13.4764 13.4764 k = 0.1163 0.0671-0.0000 ( 4172 PWs) bands (ev): -24.8586 -24.8586 -24.8548 -24.8548 -7.7163 -7.7163 -7.6684 -7.6684 -6.6595 -6.6595 -6.5396 -6.5396 -6.5178 -6.5178 -6.5075 -6.5075 -1.7840 -1.7840 -1.3762 -1.3762 4.5472 4.5472 4.6296 4.6296 5.0677 5.0677 5.1963 5.1963 5.9757 5.9757 6.2332 6.2332 6.7934 6.7934 7.1259 7.1259 7.2830 7.2830 7.6999 7.6999 8.0108 8.0108 8.6226 8.6226 10.0369 10.0369 10.4866 10.4866 11.0985 11.0985 11.5703 11.5703 12.1024 12.1024 12.6556 12.6556 12.7352 12.7352 13.4012 13.4012 k = 0.1279 0.0738-0.0000 ( 4168 PWs) bands (ev): -24.8583 -24.8583 -24.8545 -24.8545 -7.7168 -7.7168 -7.6703 -7.6703 -6.6588 -6.6588 -6.5427 -6.5427 -6.5197 -6.5197 -6.5107 -6.5107 -1.7603 -1.7603 -1.3673 -1.3673 4.5550 4.5550 4.6218 4.6218 5.0785 5.0785 5.2022 5.2022 5.9642 5.9642 6.2348 6.2348 6.8092 6.8092 7.1054 7.1054 7.2872 7.2872 7.7125 7.7125 8.0121 8.0121 8.6619 8.6619 9.9026 9.9026 10.3746 10.3746 11.0545 11.0545 11.4722 11.4722 12.0942 12.0942 12.6857 12.6857 12.8450 12.8450 13.3212 13.3212 k = 0.1395 0.0806-0.0000 ( 4166 PWs) bands (ev): -24.8580 -24.8580 -24.8542 -24.8542 -7.7173 -7.7173 -7.6723 -7.6723 -6.6581 -6.6581 -6.5464 -6.5464 -6.5213 -6.5213 -6.5140 -6.5140 -1.7347 -1.7347 -1.3576 -1.3576 4.5629 4.5629 4.6126 4.6126 5.0906 5.0906 5.2106 5.2106 5.9526 5.9526 6.2358 6.2358 6.8246 6.8246 7.0843 7.0843 7.2927 7.2927 7.7256 7.7256 8.0152 8.0152 8.7034 8.7034 9.7691 9.7691 10.2544 10.2544 11.0037 11.0037 11.3732 11.3732 12.0943 12.0943 12.7095 12.7095 12.9591 12.9591 13.2379 13.2379 k = 0.1512 0.0873-0.0000 ( 4176 PWs) bands (ev): -24.8576 -24.8576 -24.8539 -24.8539 -7.7180 -7.7180 -7.6745 -7.6745 -6.6574 -6.6574 -6.5507 -6.5507 -6.5226 -6.5226 -6.5175 -6.5175 -1.7074 -1.7074 -1.3473 -1.3473 4.5708 4.5708 4.6018 4.6018 5.1041 5.1041 5.2216 5.2216 5.9409 5.9409 6.2361 6.2361 6.8390 6.8390 7.0631 7.0631 7.2992 7.2992 7.7387 7.7387 8.0208 8.0208 8.7467 8.7467 9.6368 9.6368 10.1275 10.1275 10.9456 10.9456 11.2743 11.2743 12.1013 12.1013 12.7327 12.7327 13.0662 13.0662 13.1572 13.1572 k = 0.1628 0.0940-0.0000 ( 4170 PWs) bands (ev): -24.8573 -24.8573 -24.8536 -24.8536 -7.7186 -7.7186 -7.6768 -7.6768 -6.6567 -6.6567 -6.5555 -6.5555 -6.5239 -6.5239 -6.5210 -6.5210 -1.6785 -1.6785 -1.3362 -1.3362 4.5786 4.5786 4.5896 4.5896 5.1192 5.1192 5.2354 5.2354 5.9292 5.9292 6.2356 6.2356 6.8525 6.8525 7.0422 7.0422 7.3065 7.3065 7.7509 7.7509 8.0298 8.0298 8.7917 8.7917 9.5060 9.5060 9.9956 9.9956 10.8795 10.8795 11.1768 11.1768 12.1136 12.1136 12.7563 12.7563 13.0537 13.0537 13.1911 13.1911 k = 0.1744 0.1007-0.0000 ( 4174 PWs) bands (ev): -24.8569 -24.8569 -24.8532 -24.8532 -7.7194 -7.7194 -7.6792 -7.6792 -6.6559 -6.6559 -6.5607 -6.5607 -6.5259 -6.5259 -6.5236 -6.5236 -1.6481 -1.6481 -1.3244 -1.3244 4.5759 4.5759 4.5862 4.5862 5.1359 5.1359 5.2518 5.2518 5.9176 5.9176 6.2340 6.2340 6.8646 6.8646 7.0222 7.0222 7.3145 7.3145 7.7615 7.7615 8.0431 8.0431 8.8378 8.8378 9.3772 9.3772 9.8600 9.8600 10.8054 10.8054 11.0816 11.0816 12.1294 12.1294 12.7795 12.7795 12.9686 12.9686 13.2931 13.2931 k = 0.1860 0.1074-0.0000 ( 4172 PWs) bands (ev): -24.8565 -24.8565 -24.8528 -24.8528 -7.7202 -7.7202 -7.6817 -7.6817 -6.6552 -6.6552 -6.5662 -6.5662 -6.5293 -6.5293 -6.5247 -6.5247 -1.6164 -1.6164 -1.3119 -1.3119 4.5612 4.5612 4.5935 4.5935 5.1544 5.1544 5.2708 5.2708 5.9061 5.9061 6.2314 6.2314 6.8753 6.8753 7.0034 7.0034 7.3231 7.3231 7.7699 7.7699 8.0612 8.0612 8.8846 8.8846 9.2509 9.2509 9.7219 9.7219 10.7235 10.7235 10.9891 10.9891 12.1472 12.1472 12.7965 12.7965 12.8882 12.8882 13.3917 13.3917 k = 0.1977 0.1141-0.0000 ( 4174 PWs) bands (ev): -24.8560 -24.8560 -24.8525 -24.8525 -7.7210 -7.7210 -7.6843 -7.6843 -6.6545 -6.6545 -6.5719 -6.5719 -6.5331 -6.5331 -6.5254 -6.5254 -1.5835 -1.5835 -1.2989 -1.2989 4.5456 4.5456 4.6005 4.6005 5.1746 5.1746 5.2923 5.2923 5.8948 5.8948 6.2276 6.2276 6.8844 6.8844 6.9862 6.9862 7.3321 7.3321 7.7755 7.7755 8.0844 8.0844 8.9309 8.9309 9.1282 9.1282 9.5828 9.5828 10.6346 10.6346 10.8994 10.8994 12.1652 12.1652 12.7632 12.7632 12.8595 12.8595 13.4838 13.4838 k = 0.2093 0.1208-0.0000 ( 4178 PWs) bands (ev): -24.8556 -24.8556 -24.8521 -24.8521 -7.7219 -7.7219 -7.6870 -7.6870 -6.6539 -6.6539 -6.5777 -6.5777 -6.5369 -6.5369 -6.5260 -6.5260 -1.5496 -1.5496 -1.2852 -1.2852 4.5291 4.5291 4.6073 4.6073 5.1967 5.1967 5.3159 5.3159 5.8836 5.8836 6.2227 6.2227 6.8915 6.8915 6.9710 6.9710 7.3414 7.3414 7.7784 7.7784 8.1125 8.1125 8.9683 8.9683 9.0168 9.0168 9.4444 9.4444 10.5401 10.5401 10.8119 10.8119 12.1815 12.1815 12.6826 12.6826 12.8809 12.8809 13.5683 13.5683 k = 0.2209 0.1276-0.0000 ( 4170 PWs) bands (ev): -24.8552 -24.8552 -24.8517 -24.8517 -7.7229 -7.7229 -7.6898 -7.6898 -6.6534 -6.6534 -6.5837 -6.5837 -6.5406 -6.5406 -6.5265 -6.5265 -1.5148 -1.5148 -1.2710 -1.2710 4.5121 4.5121 4.6137 4.6137 5.2207 5.2207 5.3414 5.3414 5.8727 5.8727 6.2165 6.2165 6.8963 6.8963 6.9584 6.9584 7.3509 7.3509 7.7788 7.7788 8.1446 8.1446 8.8875 8.8875 9.0235 9.0235 9.3111 9.3111 10.4415 10.4415 10.7258 10.7258 12.1942 12.1942 12.5974 12.5974 12.9113 12.9113 13.6447 13.6447 k = 0.2326 0.1343-0.0000 ( 4174 PWs) bands (ev): -24.8547 -24.8547 -24.8513 -24.8513 -7.7239 -7.7239 -7.6926 -7.6926 -6.6529 -6.6529 -6.5898 -6.5898 -6.5443 -6.5443 -6.5269 -6.5269 -1.4794 -1.4794 -1.2562 -1.2562 4.4947 4.4947 4.6200 4.6200 5.2464 5.2464 5.3685 5.3685 5.8619 5.8619 6.2094 6.2094 6.8980 6.8980 6.9492 6.9492 7.3605 7.3605 7.7770 7.7770 8.1789 8.1789 8.7798 8.7798 9.0391 9.0391 9.2025 9.2025 10.3400 10.3400 10.6407 10.6407 12.2002 12.2002 12.5153 12.5153 12.9454 12.9454 13.7133 13.7133 k = 0.2442 0.1410-0.0000 ( 4174 PWs) bands (ev): -24.8543 -24.8543 -24.8509 -24.8509 -7.7250 -7.7250 -7.6954 -7.6954 -6.6525 -6.6525 -6.5959 -6.5959 -6.5479 -6.5479 -6.5273 -6.5273 -1.4435 -1.4435 -1.2409 -1.2409 4.4773 4.4773 4.6261 4.6261 5.2738 5.2738 5.3970 5.3970 5.8514 5.8514 6.2013 6.2013 6.8962 6.8962 6.9439 6.9439 7.3700 7.3700 7.7734 7.7734 8.2118 8.2118 8.6806 8.6806 8.9707 8.9707 9.1799 9.1799 10.2371 10.2371 10.5561 10.5561 12.1947 12.1947 12.4415 12.4415 12.9823 12.9823 13.7751 13.7751 k = 0.2558 0.1477-0.0000 ( 4176 PWs) bands (ev): -24.8538 -24.8538 -24.8504 -24.8504 -7.7261 -7.7261 -7.6983 -7.6983 -6.6523 -6.6523 -6.6019 -6.6019 -6.5514 -6.5514 -6.5277 -6.5277 -1.4075 -1.4075 -1.2251 -1.2251 4.4598 4.4598 4.6323 4.6323 5.3027 5.3027 5.4264 5.4264 5.8412 5.8412 6.1925 6.1925 6.8916 6.8916 6.9419 6.9419 7.3794 7.3794 7.7686 7.7686 8.2360 8.2360 8.5977 8.5977 8.8488 8.8488 9.2125 9.2125 10.1336 10.1336 10.4717 10.4717 12.1698 12.1698 12.3839 12.3839 13.0219 13.0219 13.8312 13.8312 k = 0.2674 0.1544-0.0000 ( 4180 PWs) bands (ev): -24.8534 -24.8534 -24.8500 -24.8500 -7.7272 -7.7272 -7.7012 -7.7012 -6.6522 -6.6522 -6.6079 -6.6079 -6.5546 -6.5546 -6.5280 -6.5280 -1.3716 -1.3716 -1.2087 -1.2087 4.4426 4.4426 4.6385 4.6385 5.3329 5.3329 5.4565 5.4565 5.8313 5.8313 6.1832 6.1832 6.8854 6.8854 6.9421 6.9421 7.3883 7.3883 7.7630 7.7630 8.2371 8.2371 8.5447 8.5447 8.7189 8.7189 9.2555 9.2555 10.0303 10.0303 10.3877 10.3877 12.1205 12.1205 12.3475 12.3475 13.0640 13.0640 13.8826 13.8826 k = 0.2791 0.1611-0.0000 ( 4182 PWs) bands (ev): -24.8530 -24.8530 -24.8496 -24.8496 -7.7284 -7.7284 -7.7040 -7.7040 -6.6523 -6.6523 -6.6138 -6.6138 -6.5576 -6.5576 -6.5283 -6.5283 -1.3361 -1.3361 -1.1917 -1.1917 4.4257 4.4257 4.6450 4.6450 5.3642 5.3642 5.4867 5.4867 5.8219 5.8219 6.1737 6.1737 6.8788 6.8788 6.9431 6.9431 7.3967 7.3967 7.7568 7.7568 8.2023 8.2023 8.5270 8.5270 8.5970 8.5970 9.3001 9.3001 9.9280 9.9280 10.3040 10.3040 12.0521 12.0521 12.3271 12.3271 13.1085 13.1085 13.9274 13.9274 k = 0.2907 0.1678-0.0000 ( 4194 PWs) bands (ev): -24.8525 -24.8525 -24.8492 -24.8492 -7.7296 -7.7296 -7.7069 -7.7069 -6.6525 -6.6525 -6.6195 -6.6195 -6.5604 -6.5604 -6.5286 -6.5286 -1.3015 -1.3015 -1.1740 -1.1740 4.4093 4.4093 4.6518 4.6518 5.3964 5.3964 5.5167 5.5167 5.8132 5.8132 6.1642 6.1642 6.8723 6.8723 6.9444 6.9444 7.4044 7.4044 7.7504 7.7504 8.1397 8.1397 8.4463 8.4463 8.5761 8.5761 9.3440 9.3440 9.8277 9.8277 10.2211 10.2211 11.9736 11.9736 12.3142 12.3142 13.1551 13.1551 13.9567 13.9567 k = 0.3023 0.1745-0.0000 ( 4190 PWs) bands (ev): -24.8521 -24.8521 -24.8488 -24.8488 -7.7308 -7.7308 -7.7097 -7.7097 -6.6530 -6.6530 -6.6251 -6.6251 -6.5628 -6.5628 -6.5288 -6.5288 -1.2682 -1.2682 -1.1554 -1.1554 4.3935 4.3935 4.6591 4.6591 5.4290 5.4290 5.5457 5.5457 5.8054 5.8054 6.1550 6.1550 6.8661 6.8661 6.9457 6.9457 7.4110 7.4110 7.7439 7.7439 8.0653 8.0653 8.3241 8.3241 8.6195 8.6195 9.3851 9.3851 9.7307 9.7307 10.1392 10.1392 11.8904 11.8904 12.3035 12.3035 13.2035 13.2035 13.9595 13.9595 k = 0.3140 0.1813-0.0000 ( 4186 PWs) bands (ev): -24.8517 -24.8517 -24.8485 -24.8485 -7.7320 -7.7320 -7.7124 -7.7124 -6.6536 -6.6536 -6.6306 -6.6306 -6.5650 -6.5650 -6.5291 -6.5291 -1.2369 -1.2369 -1.1355 -1.1355 4.3783 4.3783 4.6670 4.6670 5.4618 5.4618 5.5729 5.5729 5.7992 5.7992 6.1465 6.1465 6.8603 6.8603 6.9470 6.9470 7.4164 7.4164 7.7375 7.7375 7.9882 7.9882 8.2039 8.2039 8.6756 8.6756 9.4198 9.4198 9.6406 9.6406 10.0587 10.0587 11.8049 11.8049 12.2932 12.2932 13.2535 13.2535 13.9452 13.9452 k = 0.3256 0.1880-0.0000 ( 4182 PWs) bands (ev): -24.8513 -24.8513 -24.8481 -24.8481 -7.7332 -7.7332 -7.7151 -7.7151 -6.6544 -6.6544 -6.6357 -6.6357 -6.5670 -6.5670 -6.5293 -6.5293 -1.2080 -1.2080 -1.1141 -1.1141 4.3637 4.3637 4.6756 4.6756 5.4942 5.4942 5.5975 5.5975 5.7951 5.7951 6.1388 6.1388 6.8549 6.8549 6.9482 6.9482 7.4202 7.4202 7.7311 7.7311 7.9122 7.9122 8.0893 8.0893 8.7382 8.7382 9.4337 9.4337 9.5717 9.5717 9.9801 9.9801 11.7185 11.7185 12.2825 12.2825 13.3047 13.3047 13.9261 13.9261 k = 0.3372 0.1947-0.0000 ( 4188 PWs) bands (ev): -24.8509 -24.8509 -24.8477 -24.8477 -7.7344 -7.7344 -7.7177 -7.7177 -6.6553 -6.6553 -6.6407 -6.6407 -6.5686 -6.5686 -6.5295 -6.5295 -1.1821 -1.1821 -1.0910 -1.0910 4.3500 4.3500 4.6850 4.6850 5.5257 5.5257 5.6184 5.6184 5.7942 5.7942 6.1322 6.1322 6.8498 6.8498 6.9494 6.9494 7.4220 7.4220 7.7240 7.7240 7.8390 7.8390 7.9827 7.9827 8.8045 8.8045 9.3936 9.3936 9.5573 9.5573 9.9038 9.9038 11.6318 11.6318 12.2713 12.2713 13.3568 13.3568 13.9071 13.9071 k = 0.3488 0.2014-0.0000 ( 4198 PWs) bands (ev): -24.8505 -24.8505 -24.8474 -24.8474 -7.7356 -7.7356 -7.7201 -7.7201 -6.6564 -6.6564 -6.6453 -6.6453 -6.5700 -6.5700 -6.5296 -6.5296 -1.1594 -1.1594 -1.0664 -1.0664 4.3369 4.3369 4.6952 4.6952 5.5553 5.5553 5.6349 5.6349 5.7972 5.7972 6.1268 6.1268 6.8449 6.8449 6.9505 6.9505 7.4213 7.4213 7.7118 7.7118 7.7716 7.7716 7.8876 7.8876 8.8732 8.8732 9.3185 9.3185 9.5785 9.5785 9.8306 9.8306 11.5450 11.5450 12.2597 12.2597 13.4095 13.4095 13.8905 13.8905 k = 0.3605 0.2081-0.0000 ( 4196 PWs) bands (ev): -24.8501 -24.8501 -24.8471 -24.8471 -7.7367 -7.7367 -7.7225 -7.7225 -6.6577 -6.6577 -6.6496 -6.6496 -6.5711 -6.5711 -6.5298 -6.5298 -1.1396 -1.1396 -1.0408 -1.0408 4.3247 4.3247 4.7063 4.7063 5.5815 5.5815 5.6476 5.6476 5.8045 5.8045 6.1228 6.1228 6.8402 6.8402 6.9518 6.9518 7.4173 7.4173 7.6716 7.6716 7.7297 7.7297 7.8096 7.8096 8.9431 8.9431 9.2369 9.2369 9.6065 9.6065 9.7615 9.7615 11.4587 11.4587 12.2480 12.2480 13.4625 13.4625 13.8771 13.8771 k = 0.3721 0.2148-0.0000 ( 4192 PWs) bands (ev): -24.8498 -24.8498 -24.8468 -24.8468 -7.7378 -7.7378 -7.7247 -7.7247 -6.6592 -6.6592 -6.6535 -6.6535 -6.5720 -6.5720 -6.5299 -6.5299 -1.1222 -1.1222 -1.0150 -1.0150 4.3133 4.3133 4.7181 4.7181 5.6012 5.6012 5.6597 5.6597 5.8154 5.8154 6.1203 6.1203 6.8357 6.8357 6.9532 6.9532 7.4086 7.4086 7.6031 7.6031 7.7057 7.7057 7.7585 7.7585 9.0130 9.0130 9.1565 9.1565 9.6324 9.6324 9.6992 9.6992 11.3729 11.3729 12.2363 12.2363 13.5155 13.5155 13.8677 13.8677 k = 0.3837 0.2215-0.0000 ( 4196 PWs) bands (ev): -24.8495 -24.8495 -24.8465 -24.8465 -7.7388 -7.7388 -7.7268 -7.7268 -6.6610 -6.6610 -6.6568 -6.6568 -6.5727 -6.5727 -6.5301 -6.5301 -1.1069 -1.1069 -0.9897 -0.9897 4.3028 4.3028 4.7307 4.7307 5.6113 5.6113 5.6750 5.6750 5.8283 5.8283 6.1192 6.1192 6.8314 6.8314 6.9548 6.9548 7.3926 7.3926 7.5340 7.5340 7.6700 7.6700 7.7398 7.7398 9.0725 9.0725 9.0886 9.0886 9.6255 9.6255 9.6737 9.6737 11.2882 11.2882 12.2250 12.2250 13.5681 13.5681 13.8624 13.8624 k = 0.3953 0.2283-0.0000 ( 4196 PWs) bands (ev): -24.8492 -24.8492 -24.8462 -24.8462 -7.7398 -7.7398 -7.7287 -7.7287 -6.6632 -6.6632 -6.6593 -6.6593 -6.5733 -6.5733 -6.5302 -6.5302 -1.0934 -1.0934 -0.9655 -0.9655 4.2931 4.2931 4.7439 4.7439 5.6127 5.6127 5.6938 5.6938 5.8419 5.8419 6.1195 6.1195 6.8272 6.8272 6.9567 6.9567 7.3643 7.3643 7.4767 7.4767 7.6348 7.6348 7.7345 7.7345 9.0051 9.0051 9.1483 9.1483 9.5788 9.5788 9.6934 9.6934 11.2048 11.2048 12.2142 12.2142 13.6200 13.6200 13.8613 13.8613 k = 0.4070 0.2350-0.0000 ( 4192 PWs) bands (ev): -24.8489 -24.8489 -24.8460 -24.8460 -7.7407 -7.7407 -7.7305 -7.7305 -6.6659 -6.6659 -6.6611 -6.6611 -6.5737 -6.5737 -6.5303 -6.5303 -1.0814 -1.0814 -0.9428 -0.9428 4.2843 4.2843 4.7574 4.7574 5.6090 5.6090 5.7133 5.7133 5.8551 5.8551 6.1208 6.1208 6.8233 6.8233 6.9591 6.9591 7.3207 7.3207 7.4376 7.4376 7.6064 7.6064 7.7329 7.7329 8.9372 8.9372 9.2064 9.2064 9.5391 9.5391 9.7148 9.7148 11.1234 11.1234 12.2041 12.2041 13.6705 13.6705 13.8643 13.8643 k = 0.4186 0.2417-0.0000 ( 4188 PWs) bands (ev): -24.8487 -24.8487 -24.8458 -24.8458 -7.7415 -7.7415 -7.7321 -7.7321 -6.6684 -6.6684 -6.6625 -6.6625 -6.5740 -6.5740 -6.5304 -6.5304 -1.0709 -1.0709 -0.9221 -0.9221 4.2764 4.2764 4.7709 4.7709 5.6028 5.6028 5.7316 5.7316 5.8669 5.8669 6.1229 6.1229 6.8196 6.8196 6.9619 6.9619 7.2691 7.2691 7.4117 7.4117 7.5849 7.5849 7.7329 7.7329 8.8749 8.8749 9.2502 9.2502 9.5167 9.5167 9.7340 9.7340 11.0448 11.0448 12.1948 12.1948 13.7189 13.7189 13.8714 13.8714 k = 0.4302 0.2484-0.0000 ( 4180 PWs) bands (ev): -24.8485 -24.8485 -24.8456 -24.8456 -7.7423 -7.7423 -7.7334 -7.7334 -6.6708 -6.6708 -6.6636 -6.6636 -6.5742 -6.5742 -6.5304 -6.5304 -1.0618 -1.0618 -0.9035 -0.9035 4.2694 4.2694 4.7841 4.7841 5.5954 5.5954 5.7478 5.7478 5.8772 5.8772 6.1256 6.1256 6.8162 6.8162 6.9653 6.9653 7.2185 7.2185 7.3923 7.3923 7.5691 7.5691 7.7337 7.7337 8.8191 8.8191 9.2713 9.2713 9.5198 9.5198 9.7506 9.7506 10.9699 10.9699 12.1866 12.1866 13.7637 13.7637 13.8831 13.8831 k = 0.4419 0.2551-0.0000 ( 4180 PWs) bands (ev): -24.8483 -24.8483 -24.8454 -24.8454 -7.7429 -7.7429 -7.7346 -7.7346 -6.6728 -6.6728 -6.6646 -6.6646 -6.5743 -6.5743 -6.5305 -6.5305 -1.0541 -1.0541 -0.8875 -0.8875 4.2635 4.2635 4.7965 4.7965 5.5879 5.5879 5.7617 5.7617 5.8856 5.8856 6.1283 6.1283 6.8131 6.8131 6.9691 6.9691 7.1729 7.1729 7.3766 7.3766 7.5574 7.5574 7.7348 7.7348 8.7704 8.7704 9.2701 9.2701 9.5474 9.5474 9.7644 9.7644 10.9001 10.9001 12.1794 12.1794 13.8024 13.8024 13.9006 13.9006 k = 0.4535 0.2618-0.0000 ( 4192 PWs) bands (ev): -24.8482 -24.8482 -24.8453 -24.8453 -7.7434 -7.7434 -7.7356 -7.7356 -6.6745 -6.6745 -6.6655 -6.6655 -6.5744 -6.5744 -6.5306 -6.5306 -1.0477 -1.0477 -0.8741 -0.8741 4.2585 4.2585 4.8076 4.8076 5.5808 5.5808 5.7729 5.7729 5.8921 5.8921 6.1310 6.1310 6.8105 6.8105 6.9735 6.9735 7.1342 7.1342 7.3638 7.3638 7.5491 7.5491 7.7361 7.7361 8.7294 8.7294 9.2572 9.2572 9.5873 9.5873 9.7753 9.7753 10.8374 10.8374 12.1735 12.1735 13.8321 13.8321 13.9254 13.9254 k = 0.4651 0.2685-0.0000 ( 4190 PWs) bands (ev): -24.8481 -24.8481 -24.8452 -24.8452 -7.7438 -7.7438 -7.7363 -7.7363 -6.6758 -6.6758 -6.6661 -6.6661 -6.5744 -6.5744 -6.5306 -6.5306 -1.0428 -1.0428 -0.8635 -0.8635 4.2547 4.2547 4.8170 4.8170 5.5746 5.5746 5.7817 5.7817 5.8970 5.8970 6.1332 6.1332 6.8084 6.8084 6.9781 6.9781 7.1028 7.1028 7.3539 7.3539 7.5432 7.5432 7.7373 7.7373 8.6968 8.6968 9.2418 9.2418 9.6283 9.6283 9.7833 9.7833 10.7839 10.7839 12.1688 12.1688 13.8521 13.8521 13.9561 13.9561 k = 0.4767 0.2752-0.0000 ( 4192 PWs) bands (ev): -24.8480 -24.8480 -24.8451 -24.8451 -7.7441 -7.7441 -7.7369 -7.7369 -6.6768 -6.6768 -6.6666 -6.6666 -6.5744 -6.5744 -6.5306 -6.5306 -1.0392 -1.0392 -0.8559 -0.8559 4.2519 4.2519 4.8241 4.8241 5.5699 5.5699 5.7879 5.7879 5.9002 5.9002 6.1350 6.1350 6.8068 6.8068 6.9829 6.9829 7.0793 7.0793 7.3468 7.3468 7.5392 7.5392 7.7383 7.7383 8.6731 8.6731 9.2287 9.2287 9.6632 9.6632 9.7883 9.7883 10.7425 10.7425 12.1654 12.1654 13.8646 13.8646 13.9878 13.9878 k = 0.4884 0.2820-0.0000 ( 4204 PWs) bands (ev): -24.8479 -24.8479 -24.8451 -24.8451 -7.7443 -7.7443 -7.7372 -7.7372 -6.6774 -6.6774 -6.6669 -6.6669 -6.5745 -6.5745 -6.5306 -6.5306 -1.0371 -1.0371 -0.8512 -0.8512 4.2502 4.2502 4.8285 4.8285 5.5669 5.5669 5.7916 5.7916 5.9020 5.9020 6.1360 6.1360 6.8058 6.8058 6.9868 6.9868 7.0641 7.0641 7.3426 7.3426 7.5370 7.5370 7.7389 7.7389 8.6587 8.6587 9.2203 9.2203 9.6868 9.6868 9.7908 9.7908 10.7161 10.7161 12.1634 12.1634 13.8715 13.8715 14.0132 14.0132 k = 0.5000 0.2887-0.0000 ( 4210 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7444 -7.7444 -7.7373 -7.7373 -6.6775 -6.6775 -6.6670 -6.6670 -6.5745 -6.5745 -6.5306 -6.5306 -1.0364 -1.0364 -0.8497 -0.8497 4.2496 4.2496 4.8300 4.8300 5.5659 5.5659 5.7928 5.7928 5.9026 5.9026 6.1364 6.1364 6.8055 6.8055 6.9884 6.9884 7.0588 7.0588 7.3412 7.3412 7.5362 7.5362 7.7391 7.7391 8.6539 8.6539 9.2174 9.2174 9.6952 9.6952 9.7915 9.7915 10.7070 10.7070 12.1627 12.1627 13.8737 13.8737 14.0235 14.0235 k = 0.5000 0.2887-0.0000 ( 4210 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7444 -7.7444 -7.7373 -7.7373 -6.6775 -6.6775 -6.6670 -6.6670 -6.5745 -6.5745 -6.5306 -6.5306 -1.0364 -1.0364 -0.8497 -0.8497 4.2496 4.2496 4.8300 4.8300 5.5659 5.5659 5.7928 5.7928 5.9026 5.9026 6.1364 6.1364 6.8055 6.8055 6.9884 6.9884 7.0588 7.0588 7.3412 7.3412 7.5362 7.5362 7.7391 7.7391 8.6539 8.6539 9.2174 9.2174 9.6952 9.6952 9.7915 9.7915 10.7070 10.7070 12.1627 12.1627 13.8737 13.8737 14.0235 14.0235 k = 0.4933 0.3002-0.0000 ( 4204 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7444 -7.7444 -7.7373 -7.7373 -6.6775 -6.6775 -6.6669 -6.6669 -6.5746 -6.5746 -6.5308 -6.5308 -1.0358 -1.0358 -0.8495 -0.8495 4.2506 4.2506 4.8288 4.8288 5.5667 5.5667 5.7929 5.7929 5.9043 5.9043 6.1366 6.1366 6.8044 6.8044 6.9889 6.9889 7.0573 7.0573 7.3409 7.3409 7.5366 7.5366 7.7380 7.7380 8.6507 8.6507 9.2131 9.2131 9.6941 9.6941 9.7933 9.7933 10.7090 10.7090 12.1690 12.1690 13.8641 13.8641 14.0290 14.0290 k = 0.4867 0.3118-0.0000 ( 4198 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7444 -7.7444 -7.7374 -7.7374 -6.6774 -6.6774 -6.6667 -6.6667 -6.5750 -6.5750 -6.5311 -6.5311 -1.0343 -1.0343 -0.8490 -0.8490 4.2537 4.2537 4.8254 4.8254 5.5692 5.5692 5.7932 5.7932 5.9092 5.9092 6.1373 6.1373 6.8012 6.8012 6.9903 6.9903 7.0527 7.0527 7.3398 7.3398 7.5377 7.5377 7.7349 7.7349 8.6412 8.6412 9.2005 9.2005 9.6910 9.6910 9.7984 9.7984 10.7150 10.7150 12.1877 12.1877 13.8359 13.8359 14.0452 14.0452 k = 0.4800 0.3233-0.0000 ( 4190 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7445 -7.7445 -7.7374 -7.7374 -6.6773 -6.6773 -6.6663 -6.6663 -6.5757 -6.5757 -6.5318 -6.5318 -1.0316 -1.0316 -0.8481 -0.8481 4.2587 4.2587 4.8198 4.8198 5.5732 5.5732 5.7938 5.7938 5.9172 5.9172 6.1386 6.1386 6.7959 6.7959 6.9926 6.9926 7.0452 7.0452 7.3381 7.3381 7.5392 7.5392 7.7298 7.7298 8.6255 8.6255 9.1800 9.1800 9.6866 9.6866 9.8067 9.8067 10.7249 10.7249 12.2180 12.2180 13.7912 13.7912 14.0719 14.0719 k = 0.4733 0.3349-0.0000 ( 4186 PWs) bands (ev): -24.8478 -24.8478 -24.8450 -24.8450 -7.7445 -7.7445 -7.7375 -7.7375 -6.6771 -6.6771 -6.6658 -6.6658 -6.5766 -6.5766 -6.5326 -6.5326 -1.0279 -1.0279 -0.8468 -0.8468 4.2658 4.2658 4.8121 4.8121 5.5786 5.5786 5.7946 5.7946 5.9279 5.9279 6.1407 6.1407 6.7886 6.7886 6.9954 6.9954 7.0351 7.0351 7.3358 7.3358 7.5409 7.5409 7.7232 7.7232 8.6034 8.6034 9.1521 9.1521 9.6817 9.6817 9.8176 9.8176 10.7390 10.7390 12.2588 12.2588 13.7325 13.7325 14.1086 14.1086 k = 0.4667 0.3464-0.0000 ( 4194 PWs) bands (ev): -24.8478 -24.8478 -24.8449 -24.8449 -7.7446 -7.7446 -7.7376 -7.7376 -6.6769 -6.6769 -6.6652 -6.6652 -6.5778 -6.5778 -6.5337 -6.5337 -1.0233 -1.0233 -0.8453 -0.8453 4.2747 4.2747 4.8028 4.8028 5.5852 5.5852 5.7955 5.7955 5.9410 5.9410 6.1437 6.1437 6.7795 6.7795 6.9983 6.9983 7.0229 7.0229 7.3330 7.3330 7.5424 7.5424 7.7152 7.7152 8.5752 8.5752 9.1179 9.1179 9.6770 9.6770 9.8307 9.8307 10.7572 10.7572 12.3086 12.3086 13.6626 13.6626 14.1550 14.1550 k = 0.4600 0.3580-0.0000 ( 4192 PWs) bands (ev): -24.8477 -24.8477 -24.8449 -24.8449 -7.7447 -7.7447 -7.7377 -7.7377 -6.6767 -6.6767 -6.6643 -6.6643 -6.5793 -6.5793 -6.5350 -6.5350 -1.0177 -1.0177 -0.8434 -0.8434 4.2855 4.2855 4.7920 4.7920 5.5929 5.5929 5.7966 5.7966 5.9562 5.9562 6.1481 6.1481 6.7687 6.7687 6.9980 6.9980 7.0120 7.0120 7.3299 7.3299 7.5430 7.5430 7.7066 7.7066 8.5410 8.5410 9.0784 9.0784 9.6733 9.6733 9.8457 9.8457 10.7796 10.7796 12.3659 12.3659 13.5842 13.5842 14.2056 14.2056 k = 0.4533 0.3695-0.0000 ( 4192 PWs) bands (ev): -24.8477 -24.8477 -24.8448 -24.8448 -7.7448 -7.7448 -7.7379 -7.7379 -6.6764 -6.6764 -6.6634 -6.6634 -6.5810 -6.5810 -6.5364 -6.5364 -1.0112 -1.0112 -0.8413 -0.8413 4.2982 4.2982 4.7799 4.7799 5.6015 5.6015 5.7976 5.7976 5.9729 5.9729 6.1541 6.1541 6.7563 6.7563 6.9856 6.9856 7.0112 7.0112 7.3265 7.3265 7.5422 7.5422 7.6980 7.6980 8.5012 8.5012 9.0350 9.0350 9.6707 9.6707 9.8620 9.8620 10.8062 10.8062 12.4293 12.4293 13.4994 13.4994 14.2152 14.2152 k = 0.4467 0.3811-0.0000 ( 4188 PWs) bands (ev): -24.8476 -24.8476 -24.8448 -24.8448 -7.7449 -7.7449 -7.7381 -7.7381 -6.6761 -6.6761 -6.6623 -6.6623 -6.5828 -6.5828 -6.5380 -6.5380 -1.0039 -1.0039 -0.8391 -0.8391 4.3125 4.3125 4.7670 4.7670 5.6108 5.6108 5.7983 5.7983 5.9909 5.9909 6.1619 6.1619 6.7425 6.7425 6.9672 6.9672 7.0147 7.0147 7.3230 7.3230 7.5392 7.5392 7.6901 7.6901 8.4565 8.4565 8.9889 8.9889 9.6696 9.6696 9.8792 9.8792 10.8372 10.8372 12.4975 12.4975 13.4101 13.4101 14.2121 14.2121 k = 0.4400 0.3926-0.0000 ( 4184 PWs) bands (ev): -24.8475 -24.8475 -24.8447 -24.8447 -7.7450 -7.7450 -7.7382 -7.7382 -6.6757 -6.6757 -6.6612 -6.6612 -6.5849 -6.5849 -6.5398 -6.5398 -0.9958 -0.9958 -0.8366 -0.8366 4.3284 4.3284 4.7535 4.7535 5.6206 5.6206 5.7986 5.7986 6.0098 6.0098 6.1718 6.1718 6.7274 6.7274 6.9469 6.9469 7.0185 7.0185 7.3195 7.3195 7.5334 7.5334 7.6835 7.6835 8.4076 8.4076 8.9412 8.9412 9.6701 9.6701 9.8967 9.8967 10.8724 10.8724 12.5694 12.5694 13.3176 13.3176 14.2033 14.2033 k = 0.4333 0.4041-0.0000 ( 4188 PWs) bands (ev): -24.8474 -24.8474 -24.8446 -24.8446 -7.7452 -7.7452 -7.7385 -7.7385 -6.6754 -6.6754 -6.6598 -6.6598 -6.5872 -6.5872 -6.5416 -6.5416 -0.9870 -0.9870 -0.8340 -0.8340 4.3458 4.3458 4.7397 4.7397 5.6306 5.6306 5.7983 5.7983 6.0294 6.0294 6.1838 6.1838 6.7111 6.7111 6.9253 6.9253 7.0220 7.0220 7.3162 7.3162 7.5244 7.5244 7.6788 7.6788 8.3556 8.3556 8.8927 8.8927 9.6721 9.6721 9.9143 9.9143 10.9120 10.9120 12.6438 12.6438 13.2229 13.2229 14.1884 14.1884 k = 0.4267 0.4157-0.0000 ( 4192 PWs) bands (ev): -24.8474 -24.8474 -24.8445 -24.8445 -7.7453 -7.7453 -7.7387 -7.7387 -6.6751 -6.6751 -6.6584 -6.6584 -6.5895 -6.5895 -6.5435 -6.5435 -0.9777 -0.9777 -0.8314 -0.8314 4.3645 4.3645 4.7258 4.7258 5.6406 5.6406 5.7972 5.7972 6.0494 6.0494 6.1977 6.1977 6.6938 6.6938 6.9031 6.9031 7.0248 7.0248 7.3133 7.3133 7.5125 7.5125 7.6759 7.6759 8.3016 8.3016 8.8440 8.8440 9.6757 9.6757 9.9313 9.9313 10.9558 10.9558 12.7203 12.7203 13.1269 13.1269 14.1676 14.1676 k = 0.4200 0.4272-0.0000 ( 4198 PWs) bands (ev): -24.8473 -24.8473 -24.8444 -24.8444 -7.7455 -7.7455 -7.7389 -7.7389 -6.6747 -6.6747 -6.6569 -6.6569 -6.5921 -6.5921 -6.5455 -6.5455 -0.9678 -0.9678 -0.8288 -0.8288 4.3844 4.3844 4.7122 4.7122 5.6506 5.6506 5.7951 5.7951 6.0699 6.0699 6.2132 6.2132 6.6756 6.6756 6.8809 6.8809 7.0267 7.0267 7.3106 7.3106 7.4980 7.4980 7.6745 7.6745 8.2469 8.2469 8.7956 8.7956 9.6808 9.6808 9.9475 9.9475 11.0037 11.0037 12.7980 12.7980 13.0302 13.0302 14.1412 14.1412 k = 0.4133 0.4388-0.0000 ( 4198 PWs) bands (ev): -24.8472 -24.8472 -24.8444 -24.8444 -7.7457 -7.7457 -7.7392 -7.7392 -6.6744 -6.6744 -6.6553 -6.6553 -6.5947 -6.5947 -6.5474 -6.5474 -0.9576 -0.9576 -0.8262 -0.8262 4.4051 4.4051 4.6989 4.6989 5.6601 5.6601 5.7922 5.7922 6.0909 6.0909 6.2296 6.2296 6.6566 6.6566 6.8593 6.8593 7.0274 7.0274 7.3084 7.3084 7.4819 7.4819 7.6741 7.6741 8.1928 8.1928 8.7477 8.7477 9.6874 9.6874 9.9626 9.9626 11.0555 11.0555 12.8766 12.8766 12.9333 12.9333 14.1101 14.1101 k = 0.4067 0.4503-0.0000 ( 4198 PWs) bands (ev): -24.8471 -24.8471 -24.8443 -24.8443 -7.7458 -7.7458 -7.7394 -7.7394 -6.6742 -6.6742 -6.6537 -6.6537 -6.5974 -6.5974 -6.5494 -6.5494 -0.9472 -0.9472 -0.8238 -0.8238 4.4265 4.4265 4.6863 4.6863 5.6690 5.6690 5.7884 5.7884 6.1124 6.1124 6.2463 6.2463 6.6370 6.6370 6.8388 6.8388 7.0266 7.0266 7.3066 7.3066 7.4652 7.4652 7.6740 7.6740 8.1404 8.1404 8.7008 8.7008 9.6954 9.6954 9.9761 9.9761 11.1109 11.1109 12.8367 12.8367 12.9557 12.9557 14.0752 14.0752 k = 0.4000 0.4619-0.0000 ( 4210 PWs) bands (ev): -24.8470 -24.8470 -24.8442 -24.8442 -7.7460 -7.7460 -7.7397 -7.7397 -6.6739 -6.6739 -6.6519 -6.6519 -6.6001 -6.6001 -6.5512 -6.5512 -0.9366 -0.9366 -0.8215 -0.8215 4.4482 4.4482 4.6745 4.6745 5.6772 5.6772 5.7838 5.7838 6.1343 6.1343 6.2625 6.2625 6.6169 6.6169 6.8204 6.8204 7.0241 7.0241 7.3050 7.3050 7.4489 7.4489 7.6738 7.6738 8.0909 8.0909 8.6550 8.6550 9.7048 9.7048 9.9880 9.9880 11.1697 11.1697 12.7407 12.7407 13.0349 13.0349 14.0377 14.0377 k = 0.3933 0.4734-0.0000 ( 4216 PWs) bands (ev): -24.8469 -24.8469 -24.8441 -24.8441 -7.7462 -7.7462 -7.7400 -7.7400 -6.6737 -6.6737 -6.6501 -6.6501 -6.6028 -6.6028 -6.5530 -6.5530 -0.9261 -0.9261 -0.8194 -0.8194 4.4698 4.4698 4.6637 4.6637 5.6844 5.6844 5.7785 5.7785 6.1567 6.1567 6.2774 6.2774 6.5965 6.5965 6.8047 6.8047 7.0196 7.0196 7.3035 7.3035 7.4340 7.4340 7.6730 7.6730 8.0451 8.0451 8.6107 8.6107 9.7154 9.7154 9.9979 9.9979 11.2316 11.2316 12.6456 12.6456 13.1137 13.1137 13.9985 13.9985 k = 0.3867 0.4850-0.0000 ( 4212 PWs) bands (ev): -24.8468 -24.8468 -24.8440 -24.8440 -7.7464 -7.7464 -7.7403 -7.7403 -6.6736 -6.6736 -6.6483 -6.6483 -6.6056 -6.6056 -6.5546 -6.5546 -0.9157 -0.9157 -0.8175 -0.8175 4.4909 4.4909 4.6543 4.6543 5.6904 5.6904 5.7727 5.7727 6.1791 6.1791 6.2904 6.2904 6.5760 6.5760 6.7926 6.7926 7.0127 7.0127 7.3019 7.3019 7.4215 7.4215 7.6712 7.6712 8.0038 8.0038 8.5684 8.5684 9.7272 9.7272 10.0058 10.0058 11.2962 11.2962 12.5517 12.5517 13.1917 13.1917 13.9585 13.9585 k = 0.3800 0.4965-0.0000 ( 4214 PWs) bands (ev): -24.8467 -24.8467 -24.8439 -24.8439 -7.7466 -7.7466 -7.7405 -7.7405 -6.6735 -6.6735 -6.6465 -6.6465 -6.6082 -6.6082 -6.5561 -6.5561 -0.9057 -0.9057 -0.8160 -0.8160 4.5109 4.5109 4.6463 4.6463 5.6951 5.6951 5.7669 5.7669 6.2011 6.2011 6.3013 6.3013 6.5557 6.5557 6.7847 6.7847 7.0033 7.0033 7.3002 7.3002 7.4120 7.4120 7.6681 7.6681 7.9676 7.9676 8.5284 8.5284 9.7400 9.7400 10.0116 10.0116 11.3631 11.3631 12.4591 12.4591 13.2683 13.2683 13.9184 13.9184 k = 0.3733 0.5081-0.0000 ( 4218 PWs) bands (ev): -24.8466 -24.8466 -24.8439 -24.8439 -7.7468 -7.7468 -7.7408 -7.7408 -6.6734 -6.6734 -6.6447 -6.6447 -6.6108 -6.6108 -6.5575 -6.5575 -0.8963 -0.8963 -0.8147 -0.8147 4.5291 4.5291 4.6401 4.6401 5.6981 5.6981 5.7613 5.7613 6.2222 6.2222 6.3101 6.3101 6.5358 6.5358 6.7816 6.7816 6.9910 6.9910 7.2987 7.2987 7.4056 7.4056 7.6638 7.6638 7.9369 7.9369 8.4915 8.4915 9.7534 9.7534 10.0153 10.0153 11.4321 11.4321 12.3682 12.3682 13.3426 13.3426 13.8789 13.8789 k = 0.3667 0.5196-0.0000 ( 4206 PWs) bands (ev): -24.8466 -24.8466 -24.8438 -24.8438 -7.7469 -7.7469 -7.7410 -7.7410 -6.6734 -6.6734 -6.6430 -6.6430 -6.6132 -6.6132 -6.5586 -6.5586 -0.8877 -0.8877 -0.8138 -0.8138 4.5447 4.5447 4.6362 4.6362 5.6995 5.6995 5.7563 5.7563 6.2411 6.2411 6.3178 6.3178 6.5163 6.5163 6.7837 6.7837 6.9760 6.9760 7.2976 7.2976 7.4019 7.4019 7.6583 7.6583 7.9117 7.9117 8.4581 8.4581 9.7673 9.7673 10.0169 10.0169 11.5026 11.5026 12.2792 12.2792 13.4137 13.4137 13.8404 13.8404 k = 0.3600 0.5312-0.0000 ( 4198 PWs) bands (ev): -24.8465 -24.8465 -24.8438 -24.8438 -7.7471 -7.7471 -7.7413 -7.7413 -6.6734 -6.6734 -6.6414 -6.6414 -6.6154 -6.6154 -6.5595 -6.5595 -0.8802 -0.8802 -0.8130 -0.8130 4.5569 4.5569 4.6347 4.6347 5.6992 5.6992 5.7524 5.7524 6.2562 6.2562 6.3260 6.3260 6.4976 6.4976 6.7909 6.7909 6.9582 6.9582 7.2974 7.2974 7.4002 7.4002 7.6521 7.6521 7.8919 7.8919 8.4291 8.4291 9.7809 9.7809 10.0166 10.0166 11.5744 11.5744 12.1923 12.1923 13.4803 13.4803 13.8035 13.8035 k = 0.3533 0.5427-0.0000 ( 4182 PWs) bands (ev): -24.8465 -24.8465 -24.8437 -24.8437 -7.7472 -7.7472 -7.7414 -7.7414 -6.6735 -6.6735 -6.6399 -6.6399 -6.6173 -6.6173 -6.5603 -6.5603 -0.8739 -0.8739 -0.8125 -0.8125 4.5651 4.5651 4.6355 4.6355 5.6977 5.6977 5.7497 5.7497 6.2663 6.2663 6.3362 6.3362 6.4799 6.4799 6.8029 6.8029 6.9382 6.9382 7.2981 7.2981 7.3996 7.3996 7.6460 7.6460 7.8771 7.8771 8.4053 8.4053 9.7938 9.7938 10.0149 10.0149 11.6471 11.6471 12.1079 12.1079 13.5407 13.5407 13.7685 13.7685 k = 0.3467 0.5543-0.0000 ( 4170 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7473 -7.7473 -7.7416 -7.7416 -6.6736 -6.6736 -6.6388 -6.6388 -6.6188 -6.6188 -6.5608 -6.5608 -0.8692 -0.8692 -0.8121 -0.8121 4.5700 4.5700 4.6378 4.6378 5.6956 5.6956 5.7481 5.7481 6.2715 6.2715 6.3480 6.3480 6.4642 6.4642 6.8187 6.8187 6.9166 6.9166 7.2995 7.2995 7.3994 7.3994 7.6408 7.6408 7.8670 7.8670 8.3874 8.3874 9.8047 9.8047 10.0124 10.0124 11.7202 11.7202 12.0262 12.0262 13.5931 13.5931 13.7359 13.7359 k = 0.3400 0.5658-0.0000 ( 4172 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6380 -6.6380 -6.6197 -6.6197 -6.5611 -6.5611 -0.8663 -0.8663 -0.8118 -0.8118 4.5722 4.5722 4.6401 4.6401 5.6937 5.6937 5.7473 5.7473 6.2735 6.2735 6.3582 6.3582 6.4523 6.4523 6.8368 6.8368 6.8952 6.8952 7.3008 7.3008 7.3993 7.3993 7.6373 7.6373 7.8611 7.8611 8.3762 8.3762 9.8125 9.8125 10.0100 10.0100 11.7928 11.7928 11.9484 11.9484 13.6346 13.6346 13.7072 13.7072 k = 0.3333 0.5774-0.0000 ( 4164 PWs) bands (ev): -24.8464 -24.8464 -24.8436 -24.8436 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6378 -6.6378 -6.6201 -6.6201 -6.5612 -6.5612 -0.8653 -0.8653 -0.8117 -0.8117 4.5728 4.5728 4.6410 4.6410 5.6930 5.6930 5.7471 5.7471 6.2740 6.2740 6.3624 6.3624 6.4477 6.4477 6.8485 6.8485 6.8824 6.8824 7.3014 7.3014 7.3992 7.3992 7.6361 7.6361 7.8591 7.8591 8.3724 8.3724 9.8154 9.8154 10.0090 10.0090 11.8493 11.8493 11.8902 11.8902 13.6546 13.6546 13.6916 13.6916 k = 0.3333 0.5774-0.0000 ( 4164 PWs) bands (ev): -24.8464 -24.8464 -24.8436 -24.8436 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6378 -6.6378 -6.6201 -6.6201 -6.5612 -6.5612 -0.8653 -0.8653 -0.8117 -0.8117 4.5728 4.5728 4.6410 4.6410 5.6930 5.6930 5.7471 5.7471 6.2740 6.2740 6.3624 6.3624 6.4477 6.4477 6.8485 6.8485 6.8824 6.8824 7.3014 7.3014 7.3992 7.3992 7.6361 7.6361 7.8591 7.8591 8.3724 8.3724 9.8154 9.8154 10.0090 10.0090 11.8493 11.8493 11.8902 11.8902 13.6546 13.6546 13.6916 13.6916 k = 0.3267 0.5658-0.0000 ( 4166 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6380 -6.6380 -6.6198 -6.6198 -6.5611 -6.5611 -0.8663 -0.8663 -0.8119 -0.8119 4.5723 4.5723 4.6399 4.6399 5.6939 5.6939 5.7473 5.7473 6.2735 6.2735 6.3583 6.3583 6.4522 6.4522 6.8360 6.8360 6.8960 6.8960 7.3006 7.3006 7.3995 7.3995 7.6373 7.6373 7.8611 7.8611 8.3764 8.3764 9.8121 9.8121 10.0103 10.0103 11.7946 11.7946 11.9467 11.9467 13.6403 13.6403 13.7014 13.7014 k = 0.3200 0.5543-0.0000 ( 4172 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7472 -7.7472 -7.7416 -7.7416 -6.6735 -6.6735 -6.6386 -6.6386 -6.6189 -6.6189 -6.5608 -6.5608 -0.8691 -0.8691 -0.8127 -0.8127 4.5705 4.5705 4.6369 4.6369 5.6968 5.6968 5.7477 5.7477 6.2716 6.2716 6.3488 6.3488 6.4634 6.4634 6.8155 6.8155 6.9200 6.9200 7.2980 7.2980 7.4007 7.4007 7.6406 7.6406 7.8673 7.8673 8.3885 8.3885 9.8014 9.8014 10.0144 10.0144 11.7277 11.7277 12.0194 12.0194 13.6185 13.6185 13.7095 13.7095 k = 0.3133 0.5427-0.0000 ( 4184 PWs) bands (ev): -24.8465 -24.8465 -24.8437 -24.8437 -7.7471 -7.7471 -7.7414 -7.7414 -6.6733 -6.6733 -6.6395 -6.6395 -6.6177 -6.6177 -6.5604 -6.5604 -0.8735 -0.8735 -0.8144 -0.8144 4.5670 4.5670 4.6324 4.6324 5.7016 5.7016 5.7483 5.7483 6.2661 6.2661 6.3391 6.3391 6.4777 6.4777 6.7959 6.7959 6.9459 6.9459 7.2938 7.2938 7.4033 7.4033 7.6456 7.6456 7.8782 7.8782 8.4087 8.4087 9.7835 9.7835 10.0209 10.0209 11.6646 11.6646 12.0929 12.0929 13.5978 13.5978 13.7082 13.7082 k = 0.3067 0.5312-0.0000 ( 4186 PWs) bands (ev): -24.8465 -24.8465 -24.8438 -24.8438 -7.7469 -7.7469 -7.7411 -7.7411 -6.6730 -6.6730 -6.6405 -6.6405 -6.6162 -6.6162 -6.5598 -6.5598 -0.8795 -0.8795 -0.8173 -0.8173 4.5609 4.5609 4.6279 4.6279 5.7083 5.7083 5.7492 5.7492 6.2544 6.2544 6.3329 6.3329 6.4929 6.4929 6.7797 6.7797 6.9719 6.9719 7.2888 7.2888 7.4075 7.4075 7.6513 7.6513 7.8944 7.8944 8.4369 8.4369 9.7588 9.7588 10.0285 10.0285 11.6065 11.6065 12.1663 12.1663 13.5793 13.5793 13.6979 13.6979 k = 0.3000 0.5196-0.0000 ( 4186 PWs) bands (ev): -24.8466 -24.8466 -24.8438 -24.8438 -7.7467 -7.7467 -7.7407 -7.7407 -6.6725 -6.6725 -6.6414 -6.6414 -6.6145 -6.6145 -6.5590 -6.5590 -0.8868 -0.8868 -0.8216 -0.8216 4.5513 4.5513 4.6244 4.6244 5.7161 5.7161 5.7504 5.7504 6.2360 6.2360 6.3305 6.3305 6.5080 6.5080 6.7689 6.7689 6.9970 6.9970 7.2841 7.2841 7.4132 7.4132 7.6573 7.6573 7.9166 7.9166 8.4729 8.4729 9.7282 9.7282 10.0358 10.0358 11.5541 11.5541 12.2396 12.2396 13.5631 13.5631 13.6797 13.6797 k = 0.2933 0.5081-0.0000 ( 4188 PWs) bands (ev): -24.8467 -24.8467 -24.8439 -24.8439 -7.7464 -7.7464 -7.7402 -7.7402 -6.6719 -6.6719 -6.6424 -6.6424 -6.6127 -6.6127 -6.5581 -6.5581 -0.8953 -0.8953 -0.8276 -0.8276 4.5383 4.5383 4.6227 4.6227 5.7242 5.7242 5.7526 5.7526 6.2123 6.2123 6.3291 6.3291 6.5226 6.5226 6.7657 6.7657 7.0206 7.0206 7.2808 7.2808 7.4203 7.4203 7.6629 7.6629 7.9453 7.9453 8.5159 8.5159 9.6923 9.6923 10.0414 10.0414 11.5083 11.5083 12.3128 12.3128 13.5495 13.5495 13.6553 13.6553 k = 0.2867 0.4965-0.0000 ( 4192 PWs) bands (ev): -24.8468 -24.8468 -24.8441 -24.8441 -7.7460 -7.7460 -7.7395 -7.7395 -6.6711 -6.6711 -6.6432 -6.6432 -6.6109 -6.6109 -6.5571 -6.5571 -0.9050 -0.9050 -0.8354 -0.8354 4.5224 4.5224 4.6227 4.6227 5.7310 5.7310 5.7566 5.7566 6.1847 6.1847 6.3257 6.3257 6.5365 6.5365 6.7719 6.7719 7.0422 7.0422 7.2802 7.2802 7.4286 7.4286 7.6680 7.6680 7.9809 7.9809 8.5657 8.5657 9.6518 9.6518 10.0442 10.0442 11.4699 11.4699 12.3859 12.3859 13.5383 13.5383 13.6260 13.6260 k = 0.2800 0.4850-0.0000 ( 4198 PWs) bands (ev): -24.8470 -24.8470 -24.8442 -24.8442 -7.7456 -7.7456 -7.7388 -7.7388 -6.6701 -6.6701 -6.6440 -6.6440 -6.6090 -6.6090 -6.5560 -6.5560 -0.9157 -0.9157 -0.8451 -0.8451 4.5047 4.5047 4.6239 4.6239 5.7349 5.7349 5.7637 5.7637 6.1542 6.1542 6.3179 6.3179 6.5498 6.5498 6.7887 6.7887 7.0615 7.0615 7.2834 7.2834 7.4379 7.4379 7.6727 7.6727 8.0234 8.0234 8.6215 8.6215 9.6072 9.6072 10.0431 10.0431 11.4394 11.4394 12.4589 12.4589 13.5295 13.5295 13.5934 13.5934 k = 0.2733 0.4734-0.0000 ( 4202 PWs) bands (ev): -24.8472 -24.8472 -24.8443 -24.8443 -7.7451 -7.7451 -7.7379 -7.7379 -6.6688 -6.6688 -6.6446 -6.6446 -6.6070 -6.6070 -6.5549 -6.5549 -0.9274 -0.9274 -0.8569 -0.8569 4.4861 4.4861 4.6260 4.6260 5.7361 5.7361 5.7731 5.7731 6.1213 6.1213 6.3050 6.3050 6.5627 6.5627 6.8167 6.8167 7.0780 7.0780 7.2915 7.2915 7.4481 7.4481 7.6772 7.6772 8.0727 8.0727 8.6829 8.6829 9.5590 9.5590 10.0371 10.0371 11.4176 11.4176 12.5321 12.5321 13.5220 13.5220 13.5594 13.5594 k = 0.2667 0.4619-0.0000 ( 4198 PWs) bands (ev): -24.8474 -24.8474 -24.8445 -24.8445 -7.7445 -7.7445 -7.7369 -7.7369 -6.6674 -6.6674 -6.6452 -6.6452 -6.6050 -6.6050 -6.5537 -6.5537 -0.9399 -0.9399 -0.8707 -0.8707 4.4676 4.4676 4.6286 4.6286 5.7354 5.7354 5.7835 5.7835 6.0865 6.0865 6.2871 6.2871 6.5750 6.5750 6.8553 6.8553 7.0914 7.0914 7.3054 7.3054 7.4589 7.4589 7.6820 7.6820 8.1284 8.1284 8.7493 8.7493 9.5074 9.5074 10.0258 10.0258 11.4047 11.4047 12.6055 12.6055 13.5084 13.5084 13.5322 13.5322 k = 0.2600 0.4503-0.0000 ( 4192 PWs) bands (ev): -24.8476 -24.8476 -24.8447 -24.8447 -7.7438 -7.7438 -7.7357 -7.7357 -6.6657 -6.6657 -6.6456 -6.6456 -6.6029 -6.6029 -6.5524 -6.5524 -0.9534 -0.9534 -0.8866 -0.8866 4.4496 4.4496 4.6314 4.6314 5.7334 5.7334 5.7937 5.7937 6.0503 6.0503 6.2651 6.2651 6.5869 6.5869 6.9033 6.9033 7.1013 7.1013 7.3254 7.3254 7.4705 7.4705 7.6878 7.6878 8.1903 8.1903 8.8203 8.8203 9.4530 9.4530 10.0087 10.0087 11.4011 11.4011 12.6791 12.6791 13.4756 13.4756 13.5256 13.5256 k = 0.2533 0.4388-0.0000 ( 4196 PWs) bands (ev): -24.8478 -24.8478 -24.8449 -24.8449 -7.7431 -7.7431 -7.7344 -7.7344 -6.6638 -6.6638 -6.6459 -6.6459 -6.6009 -6.6009 -6.5511 -6.5511 -0.9676 -0.9676 -0.9045 -0.9045 4.4328 4.4328 4.6343 4.6343 5.7302 5.7302 5.8029 5.8029 6.0133 6.0133 6.2405 6.2405 6.5984 6.5984 6.9593 6.9593 7.1080 7.1080 7.3513 7.3513 7.4828 7.4828 7.6953 7.6953 8.2578 8.2578 8.8953 8.8953 9.3961 9.3961 9.9858 9.9858 11.4067 11.4067 12.7530 12.7530 13.4372 13.4372 13.5265 13.5265 k = 0.2467 0.4272-0.0000 ( 4196 PWs) bands (ev): -24.8481 -24.8481 -24.8452 -24.8452 -7.7423 -7.7423 -7.7330 -7.7330 -6.6616 -6.6616 -6.6461 -6.6461 -6.5987 -6.5987 -6.5498 -6.5498 -0.9825 -0.9825 -0.9245 -0.9245 4.4177 4.4177 4.6370 4.6370 5.7257 5.7257 5.8100 5.8100 5.9764 5.9764 6.2148 6.2148 6.6094 6.6094 7.0215 7.0215 7.1119 7.1119 7.3821 7.3821 7.4963 7.4963 7.7059 7.7059 8.3305 8.3305 8.9738 8.9738 9.3372 9.3372 9.9574 9.9574 11.4211 11.4211 12.8272 12.8272 13.3975 13.3975 13.5309 13.5309 k = 0.2400 0.4157-0.0000 ( 4196 PWs) bands (ev): -24.8483 -24.8483 -24.8454 -24.8454 -7.7415 -7.7415 -7.7314 -7.7314 -6.6592 -6.6592 -6.6462 -6.6462 -6.5965 -6.5965 -6.5484 -6.5484 -0.9982 -0.9982 -0.9463 -0.9463 4.4045 4.4045 4.6396 4.6396 5.7196 5.7196 5.8134 5.8134 5.9411 5.9411 6.1896 6.1896 6.6203 6.6203 7.0865 7.0865 7.1148 7.1148 7.4157 7.4157 7.5117 7.5117 7.7214 7.7214 8.4079 8.4079 9.0550 9.0550 9.2774 9.2774 9.9238 9.9238 11.4438 11.4438 12.9015 12.9015 13.3577 13.3577 13.5380 13.5380 k = 0.2333 0.4041-0.0000 ( 4204 PWs) bands (ev): -24.8486 -24.8486 -24.8457 -24.8457 -7.7406 -7.7406 -7.7297 -7.7297 -6.6565 -6.6565 -6.6462 -6.6462 -6.5942 -6.5942 -6.5471 -6.5471 -1.0147 -1.0147 -0.9698 -0.9698 4.3934 4.3934 4.6419 4.6419 5.7113 5.7113 5.8105 5.8105 5.9098 5.9098 6.1664 6.1664 6.6310 6.6310 7.1097 7.1097 7.1597 7.1597 7.4500 7.4500 7.5299 7.5299 7.7441 7.7441 8.4895 8.4895 9.1337 9.1337 9.2217 9.2217 9.8856 9.8856 11.4744 11.4744 12.9756 12.9756 13.3182 13.3182 13.5479 13.5479 k = 0.2267 0.3926-0.0000 ( 4196 PWs) bands (ev): -24.8490 -24.8490 -24.8460 -24.8460 -7.7396 -7.7396 -7.7278 -7.7278 -6.6538 -6.6538 -6.6460 -6.6460 -6.5918 -6.5918 -6.5457 -6.5457 -1.0322 -1.0322 -0.9947 -0.9947 4.3847 4.3847 4.6439 4.6439 5.7000 5.7000 5.7979 5.7979 5.8862 5.8862 6.1469 6.1469 6.6416 6.6416 7.1080 7.1080 7.2268 7.2268 7.4842 7.4842 7.5510 7.5510 7.7771 7.7771 8.5748 8.5748 9.1379 9.1379 9.2426 9.2426 9.8434 9.8434 11.5120 11.5120 13.0487 13.0487 13.2799 13.2799 13.5603 13.5603 k = 0.2200 0.3811-0.0000 ( 4200 PWs) bands (ev): -24.8493 -24.8493 -24.8463 -24.8463 -7.7385 -7.7385 -7.7258 -7.7258 -6.6511 -6.6511 -6.6455 -6.6455 -6.5893 -6.5893 -6.5444 -6.5444 -1.0512 -1.0512 -1.0202 -1.0202 4.3785 4.3785 4.6454 4.6454 5.6847 5.6847 5.7749 5.7749 5.8713 5.8713 6.1323 6.1323 6.6523 6.6523 7.1043 7.1043 7.2880 7.2880 7.5214 7.5214 7.5734 7.5734 7.8230 7.8230 8.6631 8.6631 9.0792 9.0792 9.3288 9.3288 9.7979 9.7979 11.5560 11.5560 13.1172 13.1172 13.2462 13.2462 13.5753 13.5753 k = 0.2133 0.3695-0.0000 ( 4196 PWs) bands (ev): -24.8497 -24.8497 -24.8466 -24.8466 -7.7375 -7.7375 -7.7237 -7.7237 -6.6491 -6.6491 -6.6439 -6.6439 -6.5867 -6.5867 -6.5431 -6.5431 -1.0728 -1.0728 -1.0450 -1.0450 4.3747 4.3747 4.6466 4.6466 5.6643 5.6643 5.7462 5.7462 5.8617 5.8617 6.1234 6.1234 6.6632 6.6632 7.0996 7.0996 7.3366 7.3366 7.5671 7.5671 7.5965 7.5965 7.8826 7.8826 8.7527 8.7527 9.0178 9.0178 9.4217 9.4217 9.7497 9.7497 11.6057 11.6057 13.1580 13.1580 13.2397 13.2397 13.5929 13.5929 k = 0.2067 0.3580-0.0000 ( 4184 PWs) bands (ev): -24.8500 -24.8500 -24.8470 -24.8470 -7.7364 -7.7364 -7.7215 -7.7215 -6.6482 -6.6482 -6.6411 -6.6411 -6.5840 -6.5840 -6.5418 -6.5418 -1.0984 -1.0984 -1.0675 -1.0675 4.3734 4.3734 4.6472 4.6472 5.6383 5.6383 5.7155 5.7155 5.8544 5.8544 6.1200 6.1200 6.6742 6.6742 7.0939 7.0939 7.3689 7.3689 7.6058 7.6058 7.6389 7.6389 7.9551 7.9551 8.8360 8.8360 8.9648 8.9648 9.5176 9.5176 9.6992 9.6992 11.6607 11.6607 13.1399 13.1399 13.2907 13.2907 13.6131 13.6131 k = 0.2000 0.3464-0.0000 ( 4192 PWs) bands (ev): -24.8504 -24.8504 -24.8473 -24.8473 -7.7352 -7.7352 -7.7191 -7.7191 -6.6480 -6.6480 -6.6374 -6.6374 -6.5811 -6.5811 -6.5405 -6.5405 -1.1277 -1.1277 -1.0878 -1.0878 4.3746 4.3746 4.6474 4.6474 5.6074 5.6074 5.6844 5.6844 5.8487 5.8487 6.1215 6.1215 6.6856 6.6856 7.0876 7.0876 7.3872 7.3872 7.6247 7.6247 7.7125 7.7125 8.0387 8.0387 8.8541 8.8541 8.9798 8.9798 9.6157 9.6157 9.6474 9.6474 11.7204 11.7204 13.1047 13.1047 13.3553 13.3553 13.6360 13.6360 k = 0.1933 0.3349-0.0000 ( 4188 PWs) bands (ev): -24.8508 -24.8508 -24.8477 -24.8477 -7.7341 -7.7341 -7.7167 -7.7167 -6.6480 -6.6480 -6.6332 -6.6332 -6.5781 -6.5781 -6.5393 -6.5393 -1.1597 -1.1597 -1.1067 -1.1067 4.3782 4.3782 4.6471 4.6471 5.5731 5.5731 5.6525 5.6525 5.8446 5.8446 6.1268 6.1268 6.6974 6.6974 7.0807 7.0807 7.3963 7.3963 7.6400 7.6400 7.7973 7.7973 8.1316 8.1316 8.8026 8.8026 9.0674 9.0674 9.5935 9.5935 9.7167 9.7167 11.7842 11.7842 13.0662 13.0662 13.4155 13.4155 13.6620 13.6620 k = 0.1867 0.3233-0.0000 ( 4192 PWs) bands (ev): -24.8512 -24.8512 -24.8481 -24.8481 -7.7329 -7.7329 -7.7141 -7.7141 -6.6481 -6.6481 -6.6288 -6.6288 -6.5749 -6.5749 -6.5381 -6.5381 -1.1934 -1.1934 -1.1249 -1.1249 4.3840 4.3840 4.6463 4.6463 5.5369 5.5369 5.6197 5.6197 5.8423 5.8423 6.1348 6.1348 6.7096 6.7096 7.0734 7.0734 7.3994 7.3994 7.6539 7.6539 7.8882 7.8882 8.2322 8.2322 8.7424 8.7424 9.1674 9.1674 9.5392 9.5392 9.8190 9.8190 11.8518 11.8518 13.0265 13.0265 13.4580 13.4580 13.6919 13.6920 k = 0.1800 0.3118-0.0000 ( 4188 PWs) bands (ev): -24.8517 -24.8517 -24.8485 -24.8485 -7.7317 -7.7317 -7.7115 -7.7115 -6.6483 -6.6483 -6.6240 -6.6240 -6.5716 -6.5716 -6.5369 -6.5369 -1.2283 -1.2283 -1.1427 -1.1427 4.3920 4.3920 4.6450 4.6450 5.5000 5.5000 5.5861 5.5861 5.8416 5.8416 6.1447 6.1447 6.7223 6.7223 7.0658 7.0658 7.3987 7.3987 7.6669 7.6669 7.9825 7.9825 8.3393 8.3393 8.6827 8.6827 9.2712 9.2712 9.4846 9.4846 9.9230 9.9230 11.9228 11.9228 12.9855 12.9855 13.4558 13.4558 13.6747 13.6747 k = 0.1733 0.3002-0.0000 ( 4180 PWs) bands (ev): -24.8521 -24.8521 -24.8488 -24.8488 -7.7305 -7.7305 -7.7088 -7.7088 -6.6486 -6.6486 -6.6191 -6.6191 -6.5682 -6.5682 -6.5358 -6.5358 -1.2640 -1.2640 -1.1601 -1.1601 4.4019 4.4019 4.6431 4.6431 5.4631 5.4631 5.5519 5.5519 5.8426 5.8426 6.1555 6.1555 6.7355 6.7355 7.0580 7.0580 7.3954 7.3954 7.6794 7.6794 8.0778 8.0778 8.4511 8.4511 8.6270 8.6270 9.3755 9.3755 9.4317 9.4317 10.0284 10.0284 11.9968 11.9968 12.9431 12.9431 13.4003 13.4003 13.6833 13.6833 k = 0.1667 0.2887-0.0000 ( 4178 PWs) bands (ev): -24.8525 -24.8525 -24.8493 -24.8493 -7.7293 -7.7293 -7.7061 -7.7061 -6.6490 -6.6490 -6.6140 -6.6140 -6.5646 -6.5646 -6.5348 -6.5348 -1.3003 -1.3003 -1.1773 -1.1773 4.4136 4.4136 4.6408 4.6408 5.4268 5.4268 5.5177 5.5177 5.8449 5.8449 6.1668 6.1668 6.7493 6.7493 7.0500 7.0500 7.3904 7.3904 7.6913 7.6913 8.1702 8.1702 8.5537 8.5537 8.5924 8.5924 9.3718 9.3718 9.4888 9.4888 10.1350 10.1350 12.0734 12.0734 12.8984 12.8984 13.3224 13.3224 13.7063 13.7063 k = 0.1600 0.2771-0.0000 ( 4176 PWs) bands (ev): -24.8530 -24.8530 -24.8497 -24.8497 -7.7281 -7.7281 -7.7033 -7.7033 -6.6495 -6.6495 -6.6087 -6.6087 -6.5609 -6.5609 -6.5337 -6.5337 -1.3370 -1.3370 -1.1941 -1.1941 4.4268 4.4268 4.6379 4.6379 5.3913 5.3913 5.4838 5.4838 5.8486 5.8486 6.1780 6.1780 6.7636 6.7636 7.0422 7.0422 7.3840 7.3840 7.7027 7.7027 8.2501 8.2501 8.5406 8.5406 8.6945 8.6945 9.3178 9.3178 9.5981 9.5981 10.2425 10.2425 12.1521 12.1521 12.8509 12.8509 13.2410 13.2410 13.7265 13.7265 k = 0.1533 0.2656-0.0000 ( 4188 PWs) bands (ev): -24.8534 -24.8534 -24.8501 -24.8501 -7.7270 -7.7270 -7.7005 -7.7005 -6.6500 -6.6500 -6.6033 -6.6033 -6.5571 -6.5571 -6.5327 -6.5327 -1.3738 -1.3738 -1.2106 -1.2106 4.4413 4.4413 4.6344 4.6344 5.3570 5.3570 5.4506 5.4506 5.8534 5.8534 6.1888 6.1888 6.7783 6.7783 7.0345 7.0345 7.3768 7.3768 7.7134 7.7134 8.2949 8.2949 8.5491 8.5491 8.8175 8.8175 9.2640 9.2640 9.7093 9.7093 10.3508 10.3508 12.2324 12.2324 12.7997 12.7997 13.1631 13.1631 13.7382 13.7382 k = 0.1467 0.2540-0.0000 ( 4186 PWs) bands (ev): -24.8539 -24.8539 -24.8505 -24.8505 -7.7259 -7.7259 -7.6977 -7.6977 -6.6506 -6.6506 -6.5977 -6.5977 -6.5532 -6.5532 -6.5317 -6.5317 -1.4106 -1.4106 -1.2267 -1.2267 4.4569 4.4569 4.6305 4.6305 5.3242 5.3242 5.4185 5.4185 5.8591 5.8591 6.1988 6.1988 6.7932 6.7932 7.0272 7.0272 7.3688 7.3688 7.7232 7.7232 8.2910 8.2910 8.6103 8.6103 8.9426 8.9426 9.2123 9.2123 9.8216 9.8216 10.4594 10.4594 12.3130 12.3130 12.7451 12.7451 13.0919 13.0919 13.7377 13.7377 k = 0.1400 0.2425-0.0000 ( 4182 PWs) bands (ev): -24.8543 -24.8543 -24.8509 -24.8509 -7.7248 -7.7248 -7.6949 -7.6949 -6.6513 -6.6513 -6.5921 -6.5921 -6.5492 -6.5492 -6.5308 -6.5308 -1.4471 -1.4471 -1.2424 -1.2424 4.4732 4.4732 4.6260 4.6260 5.2928 5.2928 5.3878 5.3878 5.8659 5.8659 6.2079 6.2079 6.8080 6.8080 7.0207 7.0207 7.3604 7.3604 7.7320 7.7320 8.2604 8.2604 8.7028 8.7028 9.0611 9.0611 9.1706 9.1706 9.9346 9.9346 10.5681 10.5681 12.3908 12.3908 12.6894 12.6894 13.0289 13.0289 13.7212 13.7212 k = 0.1333 0.2309-0.0000 ( 4190 PWs) bands (ev): -24.8548 -24.8548 -24.8513 -24.8513 -7.7237 -7.7237 -7.6921 -7.6921 -6.6520 -6.6520 -6.5864 -6.5864 -6.5452 -6.5452 -6.5299 -6.5299 -1.4831 -1.4831 -1.2576 -1.2576 4.4901 4.4901 4.6209 4.6209 5.2631 5.2631 5.3588 5.3588 5.8734 5.8734 6.2158 6.2158 6.8220 6.8220 7.0155 7.0155 7.3518 7.3518 7.7395 7.7395 8.2219 8.2219 8.8070 8.8070 9.0894 9.0894 9.2234 9.2234 10.0479 10.0479 10.6765 10.6765 12.4548 12.4548 12.6445 12.6445 12.9742 12.9742 13.6866 13.6866 k = 0.1267 0.2194-0.0000 ( 4190 PWs) bands (ev): -24.8552 -24.8552 -24.8517 -24.8517 -7.7227 -7.7227 -7.6893 -7.6893 -6.6527 -6.6527 -6.5808 -6.5808 -6.5412 -6.5412 -6.5290 -6.5290 -1.5186 -1.5186 -1.2723 -1.2723 4.5072 4.5072 4.6154 4.6154 5.2352 5.2352 5.3317 5.3317 5.8817 5.8817 6.2225 6.2225 6.8346 6.8346 7.0122 7.0122 7.3431 7.3431 7.7453 7.7453 8.1828 8.1828 8.9095 8.9095 9.0558 9.0558 9.3483 9.3483 10.1613 10.1613 10.7843 10.7843 12.4678 12.4678 12.6484 12.6484 12.9271 12.9271 13.6344 13.6344 k = 0.1200 0.2078-0.0000 ( 4184 PWs) bands (ev): -24.8557 -24.8557 -24.8521 -24.8521 -7.7218 -7.7218 -7.6866 -7.6866 -6.6535 -6.6535 -6.5752 -6.5752 -6.5372 -6.5372 -6.5280 -6.5280 -1.5533 -1.5533 -1.2865 -1.2865 4.5241 4.5241 4.6095 4.6095 5.2091 5.2091 5.3066 5.3066 5.8906 5.8906 6.2279 6.2279 6.8444 6.8444 7.0118 7.0118 7.3344 7.3344 7.7491 7.7491 8.1459 8.1459 8.9557 8.9557 9.0779 9.0779 9.4793 9.4793 10.2741 10.2741 10.8911 10.8911 12.4235 12.4235 12.7088 12.7088 12.8868 12.8868 13.5668 13.5668 k = 0.1133 0.1963-0.0000 ( 4176 PWs) bands (ev): -24.8561 -24.8561 -24.8525 -24.8525 -7.7209 -7.7209 -7.6840 -7.6840 -6.6542 -6.6542 -6.5697 -6.5697 -6.5332 -6.5332 -6.5270 -6.5270 -1.5871 -1.5871 -1.3001 -1.3001 4.5405 4.5405 4.6032 4.6032 5.1849 5.1849 5.2839 5.2839 5.9002 5.9002 6.2321 6.2321 6.8506 6.8506 7.0153 7.0153 7.3259 7.3259 7.7506 7.7506 8.1130 8.1130 8.9233 8.9233 9.1814 9.1814 9.6113 9.6113 10.3860 10.3860 10.9964 10.9964 12.3617 12.3617 12.7826 12.7826 12.8567 12.8567 13.4873 13.4873 k = 0.1067 0.1848-0.0000 ( 4176 PWs) bands (ev): -24.8565 -24.8565 -24.8529 -24.8529 -7.7201 -7.7201 -7.6814 -7.6814 -6.6550 -6.6550 -6.5643 -6.5643 -6.5294 -6.5294 -6.5259 -6.5259 -1.6198 -1.6198 -1.3131 -1.3131 4.5559 4.5559 4.5968 4.5968 5.1626 5.1626 5.2636 5.2636 5.9103 5.9103 6.2350 6.2350 6.8522 6.8522 7.0232 7.0232 7.3176 7.3176 7.7494 7.7494 8.0848 8.0848 8.8784 8.8784 9.3006 9.3006 9.7430 9.7430 10.4962 10.4962 11.0998 11.0998 12.2977 12.2977 12.8031 12.8031 12.8884 12.8884 13.3989 13.3989 k = 0.1000 0.1732-0.0000 ( 4174 PWs) bands (ev): -24.8569 -24.8569 -24.8532 -24.8532 -7.7193 -7.7193 -7.6789 -7.6789 -6.6558 -6.6558 -6.5591 -6.5591 -6.5263 -6.5263 -6.5241 -6.5241 -1.6512 -1.6512 -1.3254 -1.3254 4.5689 4.5689 4.5916 4.5916 5.1423 5.1423 5.2459 5.2459 5.9208 5.9208 6.2369 6.2369 6.8493 6.8493 7.0354 7.0354 7.3098 7.3098 7.7454 7.7454 8.0617 8.0617 8.8321 8.8321 9.4240 9.4240 9.8733 9.8733 10.6038 10.6038 11.2009 11.2009 12.2367 12.2367 12.7779 12.7779 12.9681 12.9681 13.3054 13.3054 k = 0.0933 0.1617-0.0000 ( 4182 PWs) bands (ev): -24.8573 -24.8573 -24.8536 -24.8536 -7.7186 -7.7186 -7.6766 -7.6766 -6.6566 -6.6566 -6.5542 -6.5542 -6.5246 -6.5246 -6.5209 -6.5209 -1.6813 -1.6813 -1.3371 -1.3371 4.5737 4.5737 4.5932 4.5932 5.1239 5.1239 5.2307 5.2307 5.9316 5.9316 6.2377 6.2377 6.8425 6.8425 7.0511 7.0511 7.3025 7.3025 7.7388 7.7388 8.0439 8.0439 8.7864 8.7864 9.5498 9.5498 10.0013 10.0013 10.7080 10.7080 11.2991 11.2991 12.1817 12.1817 12.7508 12.7508 13.0423 13.0423 13.2159 13.2159 k = 0.0867 0.1501-0.0000 ( 4183 PWs) bands (ev): -24.8577 -24.8577 -24.8539 -24.8539 -7.7179 -7.7179 -7.6743 -7.6743 -6.6574 -6.6574 -6.5497 -6.5497 -6.5231 -6.5231 -6.5173 -6.5173 -1.7099 -1.7099 -1.3481 -1.3481 4.5690 4.5690 4.6025 4.6025 5.1073 5.1073 5.2182 5.2182 5.9428 5.9428 6.2376 6.2376 6.8325 6.8325 7.0691 7.0691 7.2959 7.2959 7.7301 7.7301 8.0310 8.0310 8.7419 8.7419 9.6773 9.6773 10.1261 10.1261 10.8073 10.8073 11.3939 11.3939 12.1351 12.1351 12.7245 12.7245 13.0480 13.0480 13.1905 13.1905 k = 0.0800 0.1386-0.0000 ( 4175 PWs) bands (ev): -24.8580 -24.8580 -24.8543 -24.8543 -7.7173 -7.7173 -7.6722 -7.6722 -6.6582 -6.6582 -6.5456 -6.5456 -6.5216 -6.5216 -6.5138 -6.5138 -1.7369 -1.7369 -1.3584 -1.3584 4.5619 4.5619 4.6128 4.6128 5.0926 5.0926 5.2082 5.2082 5.9540 5.9540 6.2368 6.2368 6.8202 6.8202 7.0886 7.0886 7.2901 7.2901 7.7198 7.7198 8.0221 8.0221 8.6991 8.6991 9.8060 9.8060 10.2467 10.2467 10.8999 10.8999 11.4848 11.4848 12.0995 12.0995 12.6986 12.6986 12.9594 12.9594 13.2551 13.2551 k = 0.0733 0.1270-0.0000 ( 4167 PWs) bands (ev): -24.8583 -24.8583 -24.8546 -24.8546 -7.7167 -7.7167 -7.6702 -7.6702 -6.6589 -6.6589 -6.5421 -6.5421 -6.5199 -6.5199 -6.5105 -6.5105 -1.7621 -1.7621 -1.3680 -1.3680 4.5543 4.5543 4.6219 4.6219 5.0796 5.0796 5.2006 5.2006 5.9654 5.9654 6.2354 6.2354 6.8062 6.8062 7.1086 7.1086 7.2852 7.2852 7.7087 7.7087 8.0166 8.0166 8.6582 8.6582 9.9356 9.9356 10.3617 10.3617 10.9841 10.9841 11.5714 11.5714 12.0775 12.0775 12.6713 12.6713 12.8543 12.8543 13.3332 13.3332 k = 0.0667 0.1155-0.0000 ( 4163 PWs) bands (ev): -24.8587 -24.8587 -24.8548 -24.8548 -7.7163 -7.7163 -7.6683 -7.6683 -6.6596 -6.6596 -6.5392 -6.5392 -6.5178 -6.5178 -6.5073 -6.5073 -1.7855 -1.7855 -1.3767 -1.3767 4.5467 4.5467 4.6297 4.6297 5.0682 5.0682 5.1953 5.1953 5.9766 5.9766 6.2335 6.2335 6.7913 6.7913 7.1283 7.1283 7.2815 7.2815 7.6975 7.6975 8.0135 8.0135 8.6195 8.6195 10.0660 10.0660 10.4700 10.4700 11.0575 11.0575 11.6535 11.6535 12.0713 12.0713 12.6355 12.6355 12.7538 12.7538 13.4104 13.4104 k = 0.0600 0.1039-0.0000 ( 4173 PWs) bands (ev): -24.8589 -24.8589 -24.8551 -24.8551 -7.7158 -7.7158 -7.6666 -7.6666 -6.6602 -6.6602 -6.5369 -6.5369 -6.5156 -6.5156 -6.5044 -6.5044 -1.8070 -1.8070 -1.3847 -1.3847 4.5392 4.5392 4.6360 4.6360 5.0583 5.0583 5.1920 5.1920 5.9876 5.9876 6.2313 6.2313 6.7758 6.7758 7.1468 7.1468 7.2794 7.2794 7.6866 7.6866 8.0122 8.0122 8.5832 8.5832 10.1969 10.1969 10.5700 10.5700 11.1185 11.1185 11.7316 11.7316 12.0816 12.0816 12.5690 12.5690 12.6829 12.6829 13.4835 13.4835 k = 0.0533 0.0924-0.0000 ( 4169 PWs) bands (ev): -24.8592 -24.8592 -24.8553 -24.8553 -7.7154 -7.7154 -7.6651 -7.6651 -6.6608 -6.6608 -6.5351 -6.5351 -6.5132 -6.5132 -6.5017 -6.5017 -1.8265 -1.8265 -1.3919 -1.3919 4.5321 4.5321 4.6410 4.6410 5.0499 5.0499 5.1904 5.1904 5.9982 5.9982 6.2290 6.2290 6.7603 6.7603 7.1634 7.1634 7.2791 7.2791 7.6765 7.6765 8.0121 8.0121 8.5497 8.5497 10.3280 10.3280 10.6602 10.6602 11.1667 11.1667 11.8069 11.8069 12.1058 12.1058 12.4690 12.4690 12.6467 12.6467 13.5509 13.5509 k = 0.0467 0.0808-0.0000 ( 4187 PWs) bands (ev): -24.8594 -24.8594 -24.8555 -24.8555 -7.7151 -7.7151 -7.6637 -7.6637 -6.6613 -6.6613 -6.5337 -6.5337 -6.5108 -6.5108 -6.4992 -6.4992 -1.8438 -1.8438 -1.3983 -1.3983 4.5255 4.5255 4.6447 4.6447 5.0427 5.0427 5.1900 5.1900 6.0083 6.0083 6.2266 6.2266 6.7453 6.7453 7.1773 7.1773 7.2810 7.2810 7.6674 7.6674 8.0127 8.0127 8.5192 8.5192 10.4592 10.4592 10.7392 10.7392 11.2034 11.2034 11.8810 11.8810 12.1346 12.1346 12.3647 12.3647 12.6226 12.6226 13.6112 13.6112 k = 0.0400 0.0693-0.0000 ( 4187 PWs) bands (ev): -24.8596 -24.8596 -24.8557 -24.8557 -7.7148 -7.7148 -7.6625 -7.6625 -6.6618 -6.6618 -6.5327 -6.5327 -6.5085 -6.5085 -6.4971 -6.4971 -1.8590 -1.8590 -1.4039 -1.4039 4.5196 4.5196 4.6474 4.6474 5.0368 5.0368 5.1907 5.1907 6.0176 6.0176 6.2243 6.2243 6.7311 6.7311 7.1879 7.1879 7.2852 7.2852 7.6594 7.6594 8.0136 8.0136 8.4920 8.4920 10.5898 10.5898 10.8057 10.8057 11.2312 11.2312 11.9543 11.9543 12.1328 12.1328 12.2951 12.2951 12.6021 12.6021 13.6635 13.6635 k = 0.0333 0.0577-0.0000 ( 4183 PWs) bands (ev): -24.8598 -24.8598 -24.8559 -24.8559 -7.7146 -7.7146 -7.6614 -7.6614 -6.6622 -6.6622 -6.5320 -6.5320 -6.5064 -6.5064 -6.4952 -6.4952 -1.8720 -1.8720 -1.4086 -1.4086 4.5143 4.5143 4.6493 4.6493 5.0319 5.0319 5.1919 5.1919 6.0260 6.0260 6.2222 6.2222 6.7183 6.7183 7.1954 7.1954 7.2913 7.2913 7.6526 7.6526 8.0147 8.0147 8.4684 8.4684 10.7191 10.7191 10.8595 10.8595 11.2535 11.2535 12.0219 12.0219 12.0582 12.0582 12.3045 12.3045 12.5827 12.5827 13.7069 13.7069 k = 0.0267 0.0462-0.0000 ( 4195 PWs) bands (ev): -24.8599 -24.8599 -24.8560 -24.8560 -7.7144 -7.7144 -7.6606 -7.6606 -6.6625 -6.6625 -6.5314 -6.5314 -6.5046 -6.5046 -6.4937 -6.4937 -1.8826 -1.8826 -1.4125 -1.4125 4.5099 4.5099 4.6506 4.6506 5.0280 5.0280 5.1934 5.1934 6.0332 6.0332 6.2203 6.2203 6.7071 6.7071 7.2001 7.2001 7.2984 7.2984 7.6471 7.6471 8.0157 8.0157 8.4486 8.4486 10.8434 10.8434 10.9036 10.9036 11.2730 11.2730 11.9367 11.9367 12.0994 12.0994 12.3458 12.3458 12.5632 12.5632 13.7410 13.7410 k = 0.0200 0.0346-0.0000 ( 4197 PWs) bands (ev): -24.8601 -24.8601 -24.8561 -24.8561 -7.7143 -7.7143 -7.6599 -7.6599 -6.6628 -6.6628 -6.5310 -6.5310 -6.5031 -6.5031 -6.4925 -6.4925 -1.8910 -1.8910 -1.4155 -1.4155 4.5064 4.5064 4.6514 4.6514 5.0251 5.0251 5.1949 5.1949 6.0390 6.0390 6.2188 6.2188 6.6980 6.6980 7.2029 7.2029 7.3052 7.3052 7.6427 7.6427 8.0166 8.0166 8.4330 8.4330 10.9180 10.9180 10.9813 10.9813 11.2924 11.2924 11.8157 11.8157 12.1629 12.1629 12.3895 12.3895 12.5432 12.5432 13.7652 13.7653 k = 0.0133 0.0231-0.0000 ( 4201 PWs) bands (ev): -24.8601 -24.8601 -24.8562 -24.8562 -7.7142 -7.7142 -7.6595 -7.6595 -6.6630 -6.6630 -6.5307 -6.5307 -6.5020 -6.5020 -6.4916 -6.4916 -1.8969 -1.8969 -1.4177 -1.4177 4.5039 4.5039 4.6519 4.6519 5.0230 5.0230 5.1961 5.1961 6.0434 6.0434 6.2176 6.2176 6.6913 6.6913 7.2044 7.2044 7.3108 7.3108 7.6396 7.6396 8.0172 8.0172 8.4216 8.4216 10.9399 10.9399 11.0913 11.0913 11.3164 11.3164 11.6933 11.6933 12.2166 12.2166 12.4272 12.4272 12.5228 12.5228 13.7787 13.7788 k = 0.0067 0.0115-0.0000 ( 4205 PWs) bands (ev): -24.8602 -24.8602 -24.8562 -24.8562 -7.7141 -7.7141 -7.6592 -7.6592 -6.6631 -6.6631 -6.5306 -6.5306 -6.5014 -6.5014 -6.4911 -6.4911 -1.9005 -1.9005 -1.4190 -1.4190 4.5023 4.5023 4.6521 4.6521 5.0218 5.0218 5.1970 5.1970 6.0460 6.0460 6.2169 6.2169 6.6872 6.6872 7.2052 7.2052 7.3145 7.3145 7.6377 7.6377 8.0176 8.0176 8.4148 8.4148 10.9505 10.9505 11.1752 11.1752 11.3588 11.3588 11.5757 11.5757 12.2540 12.2540 12.4553 12.4553 12.5032 12.5032 13.7803 13.7805 k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -24.8602 -24.8602 -24.8562 -24.8562 -7.7141 -7.7141 -7.6591 -7.6591 -6.6631 -6.6631 -6.5305 -6.5305 -6.5011 -6.5011 -6.4909 -6.4909 -1.9017 -1.9017 -1.4194 -1.4194 4.5018 4.5018 4.6522 4.6522 5.0214 5.0214 5.1972 5.1972 6.0469 6.0469 6.2167 6.2167 6.6858 6.6858 7.2054 7.2054 7.3157 7.3157 7.6371 7.6371 8.0177 8.0177 8.4125 8.4125 10.9538 10.9538 11.2045 11.2045 11.4104 11.4104 11.4977 11.4977 12.2677 12.2677 12.4697 12.4697 12.4911 12.4911 13.7790 13.7806 k = 0.0000 0.0000 0.0000 ( 4205 PWs) bands (ev): -24.8602 -24.8602 -24.8562 -24.8562 -7.7141 -7.7141 -7.6591 -7.6591 -6.6631 -6.6631 -6.5305 -6.5305 -6.5011 -6.5011 -6.4909 -6.4909 -1.9017 -1.9017 -1.4194 -1.4194 4.5018 4.5018 4.6522 4.6522 5.0214 5.0214 5.1972 5.1972 6.0469 6.0469 6.2167 6.2167 6.6858 6.6858 7.2054 7.2054 7.3157 7.3157 7.6371 7.6371 8.0177 8.0177 8.4125 8.4125 10.9538 10.9538 11.2045 11.2045 11.4104 11.4104 11.4977 11.4977 12.2677 12.2677 12.4697 12.4697 12.4911 12.4911 13.7797 13.7810 k = 0.0000 0.0000 0.0132 ( 4193 PWs) bands (ev): -24.8602 -24.8602 -24.8563 -24.8563 -7.7140 -7.7140 -7.6592 -7.6592 -6.6629 -6.6629 -6.5308 -6.5308 -6.5011 -6.5011 -6.4909 -6.4909 -1.9008 -1.9008 -1.4203 -1.4203 4.5021 4.5021 4.6519 4.6519 5.0217 5.0217 5.1969 5.1969 6.0476 6.0476 6.2167 6.2167 6.6866 6.6866 7.2043 7.2043 7.3163 7.3163 7.6364 7.6364 8.0181 8.0181 8.4112 8.4112 10.9557 10.9557 11.2063 11.2063 11.4121 11.4121 11.4968 11.4968 12.2640 12.2640 12.4721 12.4721 12.4877 12.4877 13.7834 13.7850 k = 0.0000 0.0000 0.0263 ( 4193 PWs) bands (ev): -24.8602 -24.8602 -24.8563 -24.8563 -7.7136 -7.7136 -7.6595 -7.6595 -6.6622 -6.6622 -6.5317 -6.5317 -6.5011 -6.5011 -6.4910 -6.4910 -1.8982 -1.8982 -1.4231 -1.4231 4.5029 4.5029 4.6510 4.6510 5.0227 5.0227 5.1958 5.1958 6.0496 6.0496 6.2165 6.2165 6.6890 6.6890 7.2011 7.2011 7.3179 7.3179 7.6342 7.6342 8.0192 8.0192 8.4074 8.4074 10.9614 10.9614 11.2115 11.2115 11.4172 11.4172 11.4940 11.4940 12.2533 12.2533 12.4776 12.4776 12.4791 12.4791 13.7966 13.8016 k = 0.0000 0.0000 0.0395 ( 4187 PWs) bands (ev): -24.8601 -24.8601 -24.8563 -24.8563 -7.7131 -7.7131 -7.6599 -7.6599 -6.6611 -6.6611 -6.5331 -6.5331 -6.5010 -6.5010 -6.4911 -6.4911 -1.8937 -1.8937 -1.4278 -1.4278 4.5043 4.5043 4.6496 4.6496 5.0243 5.0243 5.1941 5.1941 6.0528 6.0528 6.2161 6.2161 6.6930 6.6930 7.1956 7.1956 7.3205 7.3205 7.6307 7.6307 8.0211 8.0211 8.4011 8.4011 10.9706 10.9706 11.2202 11.2202 11.4256 11.4256 11.4894 11.4894 12.2366 12.2366 12.4612 12.4612 12.4898 12.4898 13.8169 13.8179 k = 0.0000 0.0000 0.0526 ( 4181 PWs) bands (ev): -24.8601 -24.8601 -24.8564 -24.8564 -7.7123 -7.7123 -7.6606 -7.6606 -6.6596 -6.6596 -6.5350 -6.5350 -6.5008 -6.5008 -6.4912 -6.4912 -1.8875 -1.8875 -1.4343 -1.4343 4.5062 4.5062 4.6475 4.6475 5.0265 5.0265 5.1917 5.1917 6.0573 6.0573 6.2156 6.2156 6.6987 6.6987 7.1881 7.1881 7.3242 7.3242 7.6259 7.6259 8.0237 8.0237 8.3926 8.3926 10.9832 10.9832 11.2323 11.2323 11.4373 11.4373 11.4831 11.4831 12.2149 12.2149 12.4392 12.4392 12.5038 12.5038 13.8431 13.8431 k = 0.0000 0.0000 0.0658 ( 4193 PWs) bands (ev): -24.8600 -24.8600 -24.8564 -24.8564 -7.7113 -7.7113 -7.6614 -7.6614 -6.6576 -6.6576 -6.5375 -6.5375 -6.5007 -6.5007 -6.4914 -6.4914 -1.8796 -1.8796 -1.4426 -1.4426 4.5087 4.5087 4.6450 4.6450 5.0294 5.0294 5.1887 5.1887 6.0629 6.0629 6.2150 6.2150 6.7060 6.7060 7.1785 7.1785 7.3290 7.3290 7.6198 7.6198 8.0272 8.0272 8.3819 8.3819 10.9987 10.9987 11.2476 11.2476 11.4522 11.4522 11.4751 11.4751 12.1892 12.1892 12.4121 12.4121 12.5207 12.5207 13.8142 13.8142 k = 0.0000 0.0000 0.0789 ( 4181 PWs) bands (ev): -24.8599 -24.8599 -24.8565 -24.8565 -7.7101 -7.7101 -7.6624 -7.6624 -6.6553 -6.6553 -6.5405 -6.5405 -6.5005 -6.5005 -6.4916 -6.4916 -1.8701 -1.8701 -1.4525 -1.4525 4.5116 4.5116 4.6419 4.6419 5.0328 5.0328 5.1850 5.1850 6.0695 6.0695 6.2141 6.2141 6.7148 6.7148 7.1669 7.1669 7.3347 7.3347 7.6124 7.6124 8.0315 8.0315 8.3694 8.3694 11.0166 11.0166 11.2662 11.2662 11.4656 11.4656 11.4701 11.4701 12.1601 12.1601 12.3808 12.3808 12.5403 12.5403 13.7794 13.7794 k = 0.0000 0.0000 0.0921 ( 4175 PWs) bands (ev): -24.8598 -24.8598 -24.8566 -24.8566 -7.7087 -7.7087 -7.6636 -7.6636 -6.6525 -6.6525 -6.5440 -6.5440 -6.5002 -6.5002 -6.4918 -6.4918 -1.8590 -1.8590 -1.4641 -1.4641 4.5151 4.5151 4.6382 4.6382 5.0368 5.0368 5.1808 5.1808 6.0769 6.0769 6.2130 6.2130 6.7252 6.7252 7.1535 7.1535 7.3414 7.3414 7.6039 7.6039 8.0367 8.0367 8.3552 8.3552 11.0365 11.0365 11.2878 11.2878 11.4547 11.4547 11.4911 11.4911 12.1282 12.1282 12.3460 12.3460 12.5630 12.5630 13.7390 13.7390 k = 0.0000 0.0000 0.1052 ( 4175 PWs) bands (ev): -24.8597 -24.8597 -24.8567 -24.8567 -7.7071 -7.7071 -7.6650 -7.6650 -6.6493 -6.6493 -6.5479 -6.5479 -6.5000 -6.5000 -6.4921 -6.4921 -1.8464 -1.8464 -1.4772 -1.4772 4.5190 4.5190 4.6342 4.6342 5.0413 5.0413 5.1760 5.1760 6.0851 6.0851 6.2116 6.2116 6.7371 6.7371 7.1383 7.1383 7.3490 7.3490 7.5944 7.5944 8.0428 8.0428 8.3396 8.3396 11.0578 11.0578 11.3123 11.3123 11.4426 11.4426 11.5149 11.5149 12.0939 12.0939 12.3083 12.3083 12.5891 12.5891 13.6934 13.6934 k = 0.0000 0.0000 0.1184 ( 4163 PWs) bands (ev): -24.8596 -24.8596 -24.8568 -24.8568 -7.7054 -7.7054 -7.6665 -7.6665 -6.6458 -6.6458 -6.5521 -6.5521 -6.4997 -6.4997 -6.4924 -6.4924 -1.8324 -1.8324 -1.4917 -1.4917 4.5233 4.5233 4.6296 4.6296 5.0464 5.0464 5.1706 5.1706 6.0938 6.0938 6.2098 6.2098 6.7506 6.7506 7.1214 7.1214 7.3576 7.3576 7.5839 7.5839 8.0499 8.0499 8.3229 8.3229 11.0801 11.0801 11.3393 11.3393 11.4294 11.4294 11.5414 11.5414 12.0575 12.0575 12.2684 12.2684 12.6189 12.6189 13.6430 13.6430 k = 0.0000 0.0000 0.1315 ( 4174 PWs) bands (ev): -24.8595 -24.8595 -24.8570 -24.8570 -7.7035 -7.7035 -7.6681 -7.6681 -6.6419 -6.6419 -6.5568 -6.5568 -6.4993 -6.4993 -6.4927 -6.4927 -1.8171 -1.8171 -1.5075 -1.5075 4.5281 4.5281 4.6247 4.6247 5.0519 5.0519 5.1648 5.1648 6.1029 6.1029 6.2077 6.2077 6.7655 6.7655 7.1031 7.1031 7.3670 7.3670 7.5725 7.5725 8.0580 8.0580 8.3054 8.3054 11.1029 11.1029 11.3683 11.3683 11.4161 11.4161 11.5705 11.5705 12.0193 12.0193 12.2267 12.2267 12.6527 12.6527 13.5883 13.5883 k = 0.0000 0.0000 0.1447 ( 4174 PWs) bands (ev): -24.8594 -24.8594 -24.8571 -24.8571 -7.7015 -7.7015 -7.6699 -7.6699 -6.6377 -6.6377 -6.5617 -6.5617 -6.4990 -6.4990 -6.4931 -6.4931 -1.8007 -1.8007 -1.5244 -1.5244 4.5332 4.5332 4.6194 4.6194 5.0578 5.0578 5.1586 5.1586 6.1122 6.1122 6.2052 6.2052 6.7817 6.7817 7.0835 7.0835 7.3771 7.3771 7.5604 7.5604 8.0671 8.0671 8.2872 8.2872 11.1258 11.1258 11.3902 11.3902 11.4112 11.4112 11.6019 11.6019 11.9796 11.9796 12.1836 12.1836 12.6908 12.6908 13.5298 13.5298 k = 0.0000 0.0000 0.1578 ( 4186 PWs) bands (ev): -24.8592 -24.8592 -24.8572 -24.8572 -7.6994 -7.6994 -7.6719 -7.6719 -6.6331 -6.6331 -6.5669 -6.5669 -6.4986 -6.4986 -6.4935 -6.4935 -1.7832 -1.7832 -1.5424 -1.5424 4.5386 4.5386 4.6138 4.6138 5.0642 5.0642 5.1520 5.1520 6.1216 6.1216 6.2022 6.2022 6.7993 6.7993 7.0628 7.0628 7.3881 7.3881 7.5478 7.5478 8.0774 8.0774 8.2686 8.2686 11.1486 11.1486 11.3804 11.3804 11.4395 11.4395 11.6355 11.6355 11.9385 11.9385 12.1397 12.1397 12.7333 12.7333 13.4683 13.4683 k = 0.0000 0.0000 0.1710 ( 4192 PWs) bands (ev): -24.8591 -24.8591 -24.8574 -24.8574 -7.6971 -7.6971 -7.6739 -7.6739 -6.6283 -6.6283 -6.5724 -6.5724 -6.4982 -6.4982 -6.4939 -6.4939 -1.7647 -1.7647 -1.5612 -1.5612 4.5444 4.5444 4.6079 4.6079 5.0708 5.0708 5.1451 5.1451 6.1309 6.1309 6.1986 6.1986 6.8181 6.8181 7.0411 7.0411 7.3997 7.3997 7.5346 7.5346 8.0886 8.0886 8.2499 8.2499 11.1709 11.1709 11.3645 11.3645 11.4753 11.4753 11.6712 11.6712 11.8965 11.8965 12.0951 12.0951 12.7802 12.7802 13.4042 13.4042 k = 0.0000 0.0000 0.1841 ( 4210 PWs) bands (ev): -24.8589 -24.8589 -24.8575 -24.8575 -7.6948 -7.6948 -7.6760 -7.6760 -6.6232 -6.6232 -6.5780 -6.5780 -6.4978 -6.4978 -6.4943 -6.4943 -1.7455 -1.7455 -1.5808 -1.5808 4.5504 4.5504 4.6018 4.6018 5.0778 5.0778 5.1379 5.1379 6.1400 6.1400 6.1945 6.1945 6.8380 6.8380 7.0187 7.0187 7.4119 7.4119 7.5210 7.5210 8.1010 8.1010 8.2312 8.2312 11.1928 11.1928 11.3476 11.3476 11.5134 11.5134 11.7086 11.7086 11.8536 11.8536 12.0503 12.0503 12.8314 12.8314 13.3384 13.3384 k = 0.0000 0.0000 0.1973 ( 4222 PWs) bands (ev): -24.8587 -24.8587 -24.8577 -24.8577 -7.6925 -7.6925 -7.6783 -7.6783 -6.6179 -6.6179 -6.5837 -6.5837 -6.4974 -6.4974 -6.4947 -6.4947 -1.7256 -1.7256 -1.6010 -1.6010 4.5566 4.5566 4.5955 4.5955 5.0850 5.0850 5.1305 5.1305 6.1487 6.1487 6.1898 6.1898 6.8589 6.8589 6.9958 6.9958 7.4246 7.4246 7.5071 7.5071 8.1143 8.1143 8.2127 8.2127 11.2140 11.2140 11.3299 11.3299 11.5532 11.5532 11.7477 11.7477 11.8102 11.8102 12.0054 12.0054 12.8865 12.8865 13.2714 13.2714 k = 0.0000 0.0000 0.2105 ( 4234 PWs) bands (ev): -24.8586 -24.8586 -24.8579 -24.8579 -7.6901 -7.6901 -7.6805 -7.6805 -6.6125 -6.6125 -6.5895 -6.5895 -6.4969 -6.4969 -6.4952 -6.4952 -1.7052 -1.7052 -1.6216 -1.6216 4.5629 4.5629 4.5890 4.5890 5.0925 5.0925 5.1230 5.1230 6.1570 6.1570 6.1845 6.1845 6.8806 6.8806 6.9725 6.9725 7.4378 7.4378 7.4931 7.4931 8.1287 8.1287 8.1946 8.1946 11.2346 11.2346 11.3118 11.3118 11.5943 11.5943 11.7665 11.7665 11.7882 11.7882 11.9607 11.9607 12.9452 12.9452 13.2040 13.2040 k = 0.0000 0.0000 0.2236 ( 4234 PWs) bands (ev): -24.8584 -24.8584 -24.8581 -24.8581 -7.6877 -7.6877 -7.6829 -7.6829 -6.6068 -6.6068 -6.5953 -6.5953 -6.4965 -6.4965 -6.4956 -6.4956 -1.6845 -1.6845 -1.6425 -1.6425 4.5694 4.5694 4.5825 4.5825 5.1000 5.1000 5.1153 5.1153 6.1648 6.1648 6.1785 6.1785 6.9030 6.9030 6.9492 6.9492 7.4513 7.4513 7.4791 7.4791 8.1440 8.1440 8.1770 8.1770 11.2547 11.2547 11.2932 11.2932 11.6364 11.6364 11.7228 11.7228 11.8300 11.8300 11.9164 11.9164 13.0069 13.0069 13.1370 13.1370 k = 0.0000 0.0000 0.2368 ( 4234 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6853 -7.6853 -7.6853 -7.6853 -6.6011 -6.6011 -6.6011 -6.6011 -6.4960 -6.4960 -6.4960 -6.4960 -1.6635 -1.6635 -1.6635 -1.6635 4.5760 4.5760 4.5760 4.5760 5.1077 5.1077 5.1077 5.1077 6.1720 6.1720 6.1720 6.1720 6.9260 6.9260 6.9260 6.9260 7.4651 7.4651 7.4651 7.4651 8.1601 8.1601 8.1601 8.1601 11.2742 11.2742 11.2742 11.2742 11.6794 11.6794 11.6794 11.6794 11.8728 11.8728 11.8728 11.8728 13.0711 13.0711 13.0711 13.0711 k = 0.0000 0.0000 0.2368 ( 4234 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6853 -7.6853 -7.6853 -7.6853 -6.6011 -6.6011 -6.6011 -6.6011 -6.4960 -6.4960 -6.4960 -6.4960 -1.6635 -1.6635 -1.6635 -1.6635 4.5760 4.5760 4.5760 4.5760 5.1077 5.1077 5.1077 5.1077 6.1720 6.1720 6.1720 6.1720 6.9260 6.9260 6.9260 6.9260 7.4651 7.4651 7.4651 7.4651 8.1601 8.1601 8.1601 8.1601 11.2742 11.2742 11.2742 11.2742 11.6794 11.6794 11.6794 11.6794 11.8728 11.8728 11.8728 11.8728 13.0711 13.0711 13.0711 13.0711 k = 0.0116 0.0067 0.2368 ( 4216 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6853 -7.6853 -7.6853 -7.6853 -6.6011 -6.6011 -6.6011 -6.6011 -6.4962 -6.4962 -6.4962 -6.4962 -1.6627 -1.6627 -1.6627 -1.6627 4.5762 4.5762 4.5762 4.5762 5.1077 5.1077 5.1077 5.1077 6.1715 6.1715 6.1715 6.1715 6.9261 6.9261 6.9261 6.9261 7.4657 7.4657 7.4657 7.4657 8.1614 8.1614 8.1614 8.1614 11.2539 11.2539 11.2539 11.2539 11.6820 11.6820 11.6820 11.6820 11.8812 11.8812 11.8812 11.8812 13.0687 13.0687 13.0687 13.0688 k = 0.0233 0.0134 0.2368 ( 4212 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6855 -7.6855 -7.6855 -7.6855 -6.6011 -6.6011 -6.6011 -6.6011 -6.4968 -6.4968 -6.4968 -6.4968 -1.6601 -1.6601 -1.6601 -1.6601 4.5767 4.5767 4.5767 4.5767 5.1076 5.1076 5.1076 5.1076 6.1700 6.1700 6.1700 6.1700 6.9264 6.9264 6.9264 6.9264 7.4675 7.4675 7.4675 7.4675 8.1654 8.1654 8.1654 8.1654 11.1989 11.1989 11.1989 11.1989 11.6840 11.6840 11.6840 11.6840 11.9070 11.9070 11.9070 11.9070 13.0618 13.0618 13.0618 13.0618 k = 0.0349 0.0201 0.2368 ( 4212 PWs) bands (ev): -24.8581 -24.8581 -24.8581 -24.8581 -7.6858 -7.6858 -7.6858 -7.6858 -6.6012 -6.6012 -6.6012 -6.6012 -6.4977 -6.4977 -6.4977 -6.4977 -1.6559 -1.6559 -1.6559 -1.6559 4.5776 4.5776 4.5776 4.5776 5.1076 5.1076 5.1076 5.1076 6.1675 6.1675 6.1675 6.1675 6.9269 6.9269 6.9269 6.9269 7.4704 7.4704 7.4704 7.4704 8.1721 8.1721 8.1721 8.1721 11.1200 11.1200 11.1200 11.1200 11.6768 11.6768 11.6768 11.6768 11.9481 11.9481 11.9481 11.9481 13.0506 13.0506 13.0506 13.0506 k = 0.0465 0.0269 0.2368 ( 4212 PWs) bands (ev): -24.8580 -24.8580 -24.8580 -24.8580 -7.6863 -7.6863 -7.6863 -7.6863 -6.6012 -6.6012 -6.6012 -6.6012 -6.4990 -6.4990 -6.4990 -6.4990 -1.6500 -1.6500 -1.6500 -1.6500 4.5787 4.5787 4.5787 4.5787 5.1078 5.1078 5.1078 5.1078 6.1641 6.1641 6.1641 6.1641 6.9275 6.9275 6.9275 6.9275 7.4744 7.4744 7.4744 7.4744 8.1813 8.1813 8.1813 8.1813 11.0254 11.0254 11.0254 11.0254 11.6582 11.6582 11.6582 11.6582 11.9993 11.9993 11.9993 11.9993 13.0353 13.0353 13.0353 13.0353 k = 0.0581 0.0336 0.2368 ( 4206 PWs) bands (ev): -24.8578 -24.8578 -24.8578 -24.8578 -7.6868 -7.6868 -7.6868 -7.6868 -6.6013 -6.6013 -6.6013 -6.6013 -6.5007 -6.5007 -6.5007 -6.5007 -1.6425 -1.6425 -1.6425 -1.6425 4.5799 4.5799 4.5799 4.5799 5.1084 5.1084 5.1084 5.1084 6.1599 6.1599 6.1599 6.1599 6.9283 6.9283 6.9283 6.9283 7.4794 7.4794 7.4794 7.4794 8.1933 8.1933 8.1933 8.1933 10.9199 10.9199 10.9199 10.9199 11.6291 11.6291 11.6291 11.6291 12.0555 12.0555 12.0555 12.0555 13.0164 13.0164 13.0164 13.0164 k = 0.0698 0.0403 0.2368 ( 4196 PWs) bands (ev): -24.8577 -24.8577 -24.8577 -24.8577 -7.6874 -7.6874 -7.6874 -7.6874 -6.6014 -6.6014 -6.6014 -6.6014 -6.5027 -6.5027 -6.5027 -6.5027 -1.6333 -1.6333 -1.6333 -1.6333 4.5812 4.5812 4.5812 4.5812 5.1095 5.1095 5.1095 5.1095 6.1548 6.1548 6.1548 6.1548 6.9292 6.9292 6.9292 6.9292 7.4852 7.4852 7.4852 7.4852 8.2080 8.2080 8.2080 8.2080 10.8064 10.8064 10.8064 10.8064 11.5910 11.5910 11.5910 11.5910 12.1134 12.1134 12.1134 12.1134 12.9942 12.9942 12.9942 12.9942 k = 0.0814 0.0470 0.2368 ( 4194 PWs) bands (ev): -24.8575 -24.8575 -24.8575 -24.8575 -7.6882 -7.6882 -7.6882 -7.6882 -6.6016 -6.6016 -6.6016 -6.6016 -6.5050 -6.5050 -6.5050 -6.5050 -1.6226 -1.6226 -1.6226 -1.6226 4.5822 4.5822 4.5822 4.5822 5.1114 5.1114 5.1114 5.1114 6.1490 6.1490 6.1490 6.1490 6.9302 6.9302 6.9302 6.9302 7.4917 7.4917 7.4917 7.4917 8.2253 8.2253 8.2253 8.2253 10.6870 10.6870 10.6870 10.6870 11.5448 11.5448 11.5448 11.5448 12.1712 12.1712 12.1712 12.1712 12.9689 12.9689 12.9689 12.9689 k = 0.0930 0.0537 0.2368 ( 4186 PWs) bands (ev): -24.8573 -24.8573 -24.8573 -24.8573 -7.6891 -7.6891 -7.6891 -7.6891 -6.6018 -6.6018 -6.6018 -6.6018 -6.5075 -6.5075 -6.5075 -6.5075 -1.6103 -1.6103 -1.6103 -1.6103 4.5830 4.5830 4.5830 4.5830 5.1143 5.1143 5.1143 5.1143 6.1424 6.1424 6.1424 6.1424 6.9312 6.9312 6.9312 6.9312 7.4988 7.4988 7.4988 7.4988 8.2452 8.2452 8.2452 8.2452 10.5628 10.5628 10.5628 10.5628 11.4914 11.4914 11.4914 11.4914 12.2279 12.2279 12.2279 12.2279 12.9406 12.9406 12.9406 12.9406 k = 0.1047 0.0604 0.2368 ( 4174 PWs) bands (ev): -24.8570 -24.8570 -24.8570 -24.8570 -7.6901 -7.6901 -7.6901 -7.6901 -6.6020 -6.6020 -6.6020 -6.6020 -6.5103 -6.5103 -6.5103 -6.5103 -1.5965 -1.5965 -1.5965 -1.5965 4.5832 4.5832 4.5832 4.5832 5.1186 5.1186 5.1186 5.1186 6.1353 6.1353 6.1353 6.1353 6.9323 6.9323 6.9323 6.9323 7.5063 7.5063 7.5063 7.5063 8.2678 8.2678 8.2678 8.2678 10.4350 10.4350 10.4350 10.4350 11.4313 11.4313 11.4313 11.4313 12.2828 12.2828 12.2828 12.2828 12.9095 12.9095 12.9095 12.9095 k = 0.1163 0.0671 0.2368 ( 4180 PWs) bands (ev): -24.8567 -24.8567 -24.8567 -24.8567 -7.6912 -7.6912 -7.6912 -7.6912 -6.6024 -6.6024 -6.6024 -6.6024 -6.5134 -6.5134 -6.5134 -6.5134 -1.5813 -1.5813 -1.5813 -1.5813 4.5828 4.5828 4.5828 4.5828 5.1245 5.1245 5.1245 5.1245 6.1275 6.1275 6.1275 6.1275 6.9333 6.9333 6.9333 6.9333 7.5142 7.5142 7.5142 7.5142 8.2930 8.2930 8.2930 8.2930 10.3043 10.3043 10.3043 10.3043 11.3651 11.3651 11.3651 11.3651 12.3351 12.3351 12.3351 12.3351 12.8762 12.8762 12.8762 12.8762 k = 0.1279 0.0738 0.2368 ( 4178 PWs) bands (ev): -24.8564 -24.8564 -24.8564 -24.8564 -7.6924 -7.6924 -7.6924 -7.6924 -6.6028 -6.6028 -6.6028 -6.6028 -6.5166 -6.5166 -6.5166 -6.5166 -1.5647 -1.5647 -1.5647 -1.5647 4.5816 4.5816 4.5816 4.5816 5.1322 5.1322 5.1322 5.1322 6.1193 6.1193 6.1193 6.1193 6.9342 6.9342 6.9342 6.9342 7.5221 7.5221 7.5221 7.5221 8.3207 8.3207 8.3207 8.3207 10.1715 10.1715 10.1715 10.1715 11.2936 11.2936 11.2936 11.2936 12.3837 12.3837 12.3837 12.3837 12.8416 12.8416 12.8416 12.8416 k = 0.1395 0.0806 0.2368 ( 4182 PWs) bands (ev): -24.8561 -24.8561 -24.8561 -24.8561 -7.6938 -7.6938 -7.6938 -7.6938 -6.6033 -6.6033 -6.6033 -6.6033 -6.5199 -6.5199 -6.5199 -6.5199 -1.5468 -1.5468 -1.5468 -1.5468 4.5796 4.5796 4.5796 4.5796 5.1419 5.1419 5.1419 5.1419 6.1107 6.1107 6.1107 6.1107 6.9350 6.9350 6.9350 6.9350 7.5301 7.5301 7.5301 7.5301 8.3509 8.3509 8.3509 8.3509 10.0374 10.0374 10.0374 10.0374 11.2172 11.2172 11.2172 11.2172 12.4265 12.4265 12.4265 12.4265 12.8078 12.8078 12.8078 12.8078 k = 0.1512 0.0873 0.2368 ( 4174 PWs) bands (ev): -24.8558 -24.8558 -24.8558 -24.8558 -7.6952 -7.6952 -7.6952 -7.6952 -6.6039 -6.6039 -6.6039 -6.6039 -6.5233 -6.5233 -6.5233 -6.5233 -1.5276 -1.5276 -1.5276 -1.5276 4.5766 4.5766 4.5766 4.5766 5.1539 5.1539 5.1539 5.1539 6.1016 6.1016 6.1016 6.1016 6.9357 6.9357 6.9357 6.9357 7.5380 7.5380 7.5380 7.5380 8.3833 8.3833 8.3833 8.3833 9.9025 9.9025 9.9025 9.9025 11.1365 11.1365 11.1365 11.1365 12.4598 12.4598 12.4598 12.4598 12.7788 12.7788 12.7788 12.7788 k = 0.1628 0.0940 0.2368 ( 4172 PWs) bands (ev): -24.8554 -24.8554 -24.8554 -24.8554 -7.6967 -7.6967 -7.6967 -7.6967 -6.6047 -6.6047 -6.6047 -6.6047 -6.5268 -6.5268 -6.5268 -6.5268 -1.5073 -1.5073 -1.5073 -1.5073 4.5727 4.5727 4.5727 4.5727 5.1681 5.1681 5.1681 5.1681 6.0922 6.0922 6.0922 6.0922 6.9363 6.9363 6.9363 6.9363 7.5456 7.5456 7.5456 7.5456 8.4178 8.4178 8.4178 8.4178 9.7676 9.7676 9.7676 9.7676 11.0521 11.0521 11.0521 11.0521 12.4770 12.4770 12.4770 12.4770 12.7614 12.7614 12.7614 12.7614 k = 0.1744 0.1007 0.2368 ( 4168 PWs) bands (ev): -24.8550 -24.8550 -24.8550 -24.8550 -7.6983 -7.6983 -7.6983 -7.6983 -6.6057 -6.6057 -6.6057 -6.6057 -6.5302 -6.5302 -6.5302 -6.5302 -1.4859 -1.4859 -1.4859 -1.4859 4.5679 4.5679 4.5679 4.5679 5.1847 5.1847 5.1847 5.1847 6.0826 6.0826 6.0826 6.0826 6.9367 6.9367 6.9367 6.9367 7.5530 7.5530 7.5530 7.5530 8.4541 8.4541 8.4541 8.4541 9.6334 9.6334 9.6334 9.6334 10.9646 10.9646 10.9646 10.9646 12.4719 12.4719 12.4719 12.4719 12.7620 12.7620 12.7620 12.7620 k = 0.1860 0.1074 0.2368 ( 4176 PWs) bands (ev): -24.8547 -24.8547 -24.8547 -24.8547 -7.7000 -7.7000 -7.7000 -7.7000 -6.6068 -6.6068 -6.6068 -6.6068 -6.5336 -6.5336 -6.5336 -6.5336 -1.4635 -1.4635 -1.4635 -1.4635 4.5623 4.5623 4.5623 4.5623 5.2036 5.2036 5.2036 5.2036 6.0726 6.0726 6.0726 6.0726 6.9369 6.9369 6.9369 6.9369 7.5600 7.5600 7.5600 7.5600 8.4916 8.4916 8.4916 8.4916 9.5008 9.5008 9.5008 9.5008 10.8745 10.8745 10.8745 10.8745 12.4451 12.4451 12.4451 12.4451 12.7808 12.7808 12.7808 12.7808 k = 0.1977 0.1141 0.2368 ( 4184 PWs) bands (ev): -24.8543 -24.8543 -24.8543 -24.8543 -7.7018 -7.7018 -7.7018 -7.7018 -6.6082 -6.6082 -6.6082 -6.6082 -6.5368 -6.5368 -6.5368 -6.5368 -1.4402 -1.4402 -1.4402 -1.4402 4.5561 4.5561 4.5561 4.5561 5.2248 5.2248 5.2248 5.2248 6.0625 6.0625 6.0625 6.0625 6.9370 6.9370 6.9370 6.9370 7.5666 7.5666 7.5666 7.5666 8.5294 8.5294 8.5294 8.5294 9.3709 9.3709 9.3709 9.3709 10.7822 10.7822 10.7822 10.7822 12.4030 12.4030 12.4030 12.4030 12.8117 12.8117 12.8117 12.8117 k = 0.2093 0.1208 0.2368 ( 4192 PWs) bands (ev): -24.8538 -24.8538 -24.8538 -24.8538 -7.7036 -7.7036 -7.7036 -7.7036 -6.6099 -6.6099 -6.6099 -6.6099 -6.5399 -6.5399 -6.5399 -6.5399 -1.4161 -1.4161 -1.4161 -1.4161 4.5495 4.5495 4.5495 4.5495 5.2481 5.2481 5.2481 5.2481 6.0522 6.0522 6.0522 6.0522 6.9368 6.9368 6.9368 6.9368 7.5727 7.5727 7.5727 7.5727 8.5659 8.5659 8.5659 8.5659 9.2457 9.2457 9.2457 9.2457 10.6883 10.6883 10.6883 10.6883 12.3520 12.3520 12.3520 12.3520 12.8488 12.8488 12.8488 12.8488 k = 0.2209 0.1276 0.2368 ( 4196 PWs) bands (ev): -24.8534 -24.8534 -24.8534 -24.8534 -7.7055 -7.7055 -7.7055 -7.7055 -6.6118 -6.6118 -6.6118 -6.6118 -6.5427 -6.5427 -6.5427 -6.5427 -1.3914 -1.3914 -1.3914 -1.3914 4.5425 4.5425 4.5425 4.5425 5.2733 5.2733 5.2733 5.2733 6.0418 6.0418 6.0418 6.0418 6.9365 6.9365 6.9365 6.9365 7.5782 7.5782 7.5782 7.5782 8.5977 8.5977 8.5977 8.5977 9.1290 9.1290 9.1290 9.1290 10.5932 10.5932 10.5932 10.5932 12.2959 12.2959 12.2959 12.2959 12.8887 12.8887 12.8887 12.8887 k = 0.2326 0.1343 0.2368 ( 4196 PWs) bands (ev): -24.8530 -24.8530 -24.8530 -24.8530 -7.7074 -7.7074 -7.7074 -7.7074 -6.6139 -6.6139 -6.6139 -6.6139 -6.5453 -6.5453 -6.5453 -6.5453 -1.3661 -1.3661 -1.3661 -1.3661 4.5354 4.5354 4.5354 4.5354 5.3003 5.3003 5.3003 5.3003 6.0314 6.0314 6.0314 6.0314 6.9359 6.9359 6.9359 6.9359 7.5832 7.5832 7.5832 7.5832 8.6172 8.6172 8.6172 8.6172 9.0285 9.0285 9.0285 9.0285 10.4974 10.4974 10.4974 10.4974 12.2369 12.2369 12.2369 12.2369 12.9295 12.9295 12.9295 12.9295 k = 0.2442 0.1410 0.2368 ( 4200 PWs) bands (ev): -24.8526 -24.8526 -24.8526 -24.8526 -7.7094 -7.7094 -7.7094 -7.7094 -6.6164 -6.6164 -6.6164 -6.6164 -6.5476 -6.5476 -6.5476 -6.5476 -1.3403 -1.3403 -1.3403 -1.3403 4.5284 4.5284 4.5284 4.5284 5.3289 5.3289 5.3289 5.3289 6.0209 6.0209 6.0209 6.0209 6.9352 6.9352 6.9352 6.9352 7.5877 7.5877 7.5877 7.5877 8.6092 8.6092 8.6092 8.6092 8.9597 8.9597 8.9597 8.9597 10.4012 10.4012 10.4012 10.4012 12.1766 12.1766 12.1766 12.1766 12.9701 12.9701 12.9701 12.9701 k = 0.2558 0.1477 0.2368 ( 4196 PWs) bands (ev): -24.8521 -24.8521 -24.8521 -24.8521 -7.7114 -7.7114 -7.7114 -7.7114 -6.6191 -6.6191 -6.6191 -6.6191 -6.5496 -6.5496 -6.5496 -6.5496 -1.3143 -1.3143 -1.3143 -1.3143 4.5216 4.5216 4.5216 4.5216 5.3588 5.3588 5.3588 5.3588 6.0106 6.0106 6.0106 6.0106 6.9343 6.9343 6.9343 6.9343 7.5915 7.5915 7.5915 7.5915 8.5596 8.5596 8.5596 8.5596 8.9369 8.9369 8.9369 8.9369 10.3051 10.3051 10.3051 10.3051 12.1158 12.1158 12.1158 12.1158 13.0100 13.0100 13.0100 13.0100 k = 0.2674 0.1544 0.2368 ( 4200 PWs) bands (ev): -24.8517 -24.8517 -24.8517 -24.8517 -7.7134 -7.7134 -7.7134 -7.7134 -6.6220 -6.6220 -6.6220 -6.6220 -6.5513 -6.5513 -6.5513 -6.5513 -1.2880 -1.2880 -1.2880 -1.2880 4.5153 4.5153 4.5153 4.5153 5.3897 5.3897 5.3897 5.3897 6.0004 6.0004 6.0004 6.0004 6.9332 6.9332 6.9332 6.9332 7.5946 7.5946 7.5946 7.5946 8.4768 8.4768 8.4768 8.4768 8.9519 8.9519 8.9519 8.9519 10.2094 10.2094 10.2094 10.2094 12.0551 12.0551 12.0551 12.0551 13.0487 13.0487 13.0487 13.0487 k = 0.2791 0.1611 0.2368 ( 4200 PWs) bands (ev): -24.8513 -24.8513 -24.8513 -24.8513 -7.7155 -7.7155 -7.7155 -7.7155 -6.6251 -6.6251 -6.6251 -6.6251 -6.5527 -6.5527 -6.5527 -6.5527 -1.2617 -1.2617 -1.2617 -1.2617 4.5094 4.5094 4.5094 4.5094 5.4213 5.4213 5.4213 5.4213 5.9904 5.9904 5.9904 5.9904 6.9320 6.9320 6.9320 6.9320 7.5970 7.5970 7.5970 7.5970 8.3786 8.3786 8.3786 8.3786 8.9871 8.9871 8.9871 8.9871 10.1147 10.1147 10.1147 10.1147 11.9950 11.9950 11.9950 11.9950 13.0860 13.0860 13.0860 13.0860 k = 0.2907 0.1678 0.2368 ( 4204 PWs) bands (ev): -24.8509 -24.8509 -24.8509 -24.8509 -7.7175 -7.7175 -7.7175 -7.7175 -6.6284 -6.6284 -6.6284 -6.6284 -6.5539 -6.5539 -6.5539 -6.5539 -1.2356 -1.2356 -1.2356 -1.2356 4.5043 4.5043 4.5043 4.5043 5.4533 5.4533 5.4533 5.4533 5.9809 5.9809 5.9809 5.9809 6.9305 6.9305 6.9305 6.9305 7.5985 7.5985 7.5985 7.5985 8.2759 8.2759 8.2759 8.2759 9.0319 9.0319 9.0319 9.0319 10.0213 10.0213 10.0213 10.0213 11.9357 11.9357 11.9357 11.9357 13.1216 13.1216 13.1216 13.1216 k = 0.3023 0.1745 0.2368 ( 4208 PWs) bands (ev): -24.8505 -24.8505 -24.8505 -24.8505 -7.7195 -7.7195 -7.7195 -7.7195 -6.6317 -6.6317 -6.6317 -6.6317 -6.5549 -6.5549 -6.5549 -6.5549 -1.2096 -1.2096 -1.2096 -1.2096 4.4999 4.4999 4.4999 4.4999 5.4853 5.4853 5.4853 5.4853 5.9719 5.9719 5.9719 5.9719 6.9290 6.9290 6.9290 6.9290 7.5990 7.5990 7.5990 7.5990 8.1735 8.1735 8.1735 8.1735 9.0816 9.0816 9.0816 9.0816 9.9298 9.9298 9.9298 9.9298 11.8777 11.8777 11.8777 11.8777 13.1555 13.1555 13.1555 13.1555 k = 0.3140 0.1813 0.2368 ( 4208 PWs) bands (ev): -24.8501 -24.8501 -24.8501 -24.8501 -7.7215 -7.7215 -7.7215 -7.7215 -6.6352 -6.6352 -6.6352 -6.6352 -6.5556 -6.5556 -6.5556 -6.5556 -1.1841 -1.1841 -1.1841 -1.1841 4.4963 4.4963 4.4963 4.4963 5.5169 5.5169 5.5169 5.5169 5.9636 5.9636 5.9636 5.9636 6.9273 6.9273 6.9273 6.9273 7.5981 7.5981 7.5981 7.5981 8.0744 8.0744 8.0744 8.0744 9.1335 9.1335 9.1335 9.1335 9.8407 9.8407 9.8407 9.8407 11.8209 11.8209 11.8209 11.8209 13.1873 13.1873 13.1873 13.1873 k = 0.3256 0.1880 0.2368 ( 4204 PWs) bands (ev): -24.8497 -24.8497 -24.8497 -24.8497 -7.7235 -7.7235 -7.7235 -7.7235 -6.6386 -6.6386 -6.6386 -6.6386 -6.5562 -6.5562 -6.5562 -6.5562 -1.1590 -1.1590 -1.1590 -1.1590 4.4936 4.4936 4.4936 4.4936 5.5475 5.5475 5.5475 5.5475 5.9561 5.9561 5.9561 5.9561 6.9254 6.9254 6.9254 6.9254 7.5952 7.5952 7.5952 7.5952 7.9805 7.9805 7.9805 7.9805 9.1859 9.1859 9.1859 9.1859 9.7548 9.7548 9.7548 9.7548 11.7658 11.7658 11.7658 11.7658 13.2171 13.2171 13.2171 13.2171 k = 0.3372 0.1947 0.2368 ( 4192 PWs) bands (ev): -24.8493 -24.8493 -24.8493 -24.8493 -7.7254 -7.7254 -7.7254 -7.7254 -6.6420 -6.6420 -6.6420 -6.6420 -6.5566 -6.5566 -6.5566 -6.5566 -1.1347 -1.1347 -1.1347 -1.1347 4.4919 4.4919 4.4919 4.4919 5.5768 5.5768 5.5768 5.5768 5.9499 5.9499 5.9499 5.9499 6.9234 6.9234 6.9234 6.9234 7.5891 7.5891 7.5891 7.5891 7.8940 7.8940 7.8940 7.8940 9.2371 9.2371 9.2371 9.2371 9.6736 9.6736 9.6736 9.6736 11.7122 11.7122 11.7122 11.7122 13.2448 13.2448 13.2448 13.2448 k = 0.3488 0.2014 0.2368 ( 4196 PWs) bands (ev): -24.8489 -24.8489 -24.8489 -24.8489 -7.7272 -7.7272 -7.7272 -7.7272 -6.6453 -6.6453 -6.6453 -6.6453 -6.5569 -6.5569 -6.5569 -6.5569 -1.1113 -1.1113 -1.1113 -1.1113 4.4910 4.4910 4.4910 4.4910 5.6041 5.6041 5.6041 5.6041 5.9450 5.9450 5.9450 5.9450 6.9214 6.9214 6.9214 6.9214 7.5776 7.5776 7.5776 7.5776 7.8178 7.8178 7.8178 7.8178 9.2838 9.2838 9.2838 9.2838 9.5999 9.5999 9.5999 9.5999 11.6605 11.6605 11.6605 11.6605 13.2701 13.2701 13.2701 13.2701 k = 0.3605 0.2081 0.2368 ( 4188 PWs) bands (ev): -24.8486 -24.8486 -24.8486 -24.8486 -7.7290 -7.7290 -7.7290 -7.7290 -6.6485 -6.6485 -6.6485 -6.6485 -6.5571 -6.5571 -6.5571 -6.5571 -1.0888 -1.0888 -1.0888 -1.0888 4.4910 4.4910 4.4910 4.4910 5.6288 5.6288 5.6288 5.6288 5.9417 5.9417 5.9417 5.9417 6.9192 6.9192 6.9192 6.9192 7.5569 7.5569 7.5569 7.5569 7.7564 7.7564 7.7564 7.7564 9.3184 9.3184 9.3184 9.3184 9.5412 9.5412 9.5412 9.5412 11.6108 11.6108 11.6108 11.6108 13.2931 13.2931 13.2931 13.2931 k = 0.3721 0.2148 0.2368 ( 4192 PWs) bands (ev): -24.8483 -24.8483 -24.8483 -24.8483 -7.7306 -7.7306 -7.7306 -7.7306 -6.6516 -6.6516 -6.6516 -6.6516 -6.5572 -6.5572 -6.5572 -6.5572 -1.0674 -1.0674 -1.0674 -1.0674 4.4919 4.4919 4.4919 4.4919 5.6504 5.6504 5.6504 5.6504 5.9404 5.9404 5.9404 5.9404 6.9170 6.9170 6.9170 6.9170 7.5237 7.5237 7.5237 7.5237 7.7136 7.7136 7.7136 7.7136 9.3236 9.3236 9.3236 9.3236 9.5146 9.5146 9.5146 9.5146 11.5632 11.5632 11.5632 11.5632 13.3138 13.3138 13.3138 13.3138 k = 0.3837 0.2215 0.2368 ( 4188 PWs) bands (ev): -24.8480 -24.8480 -24.8480 -24.8480 -7.7322 -7.7322 -7.7322 -7.7322 -6.6545 -6.6545 -6.6545 -6.6545 -6.5572 -6.5572 -6.5572 -6.5572 -1.0474 -1.0474 -1.0474 -1.0474 4.4934 4.4934 4.4934 4.4934 5.6685 5.6685 5.6685 5.6685 5.9411 5.9411 5.9411 5.9411 6.9147 6.9147 6.9147 6.9147 7.4798 7.4798 7.4798 7.4798 7.6880 7.6880 7.6880 7.6880 9.2910 9.2910 9.2910 9.2910 9.5285 9.5285 9.5285 9.5285 11.5178 11.5178 11.5178 11.5178 13.3320 13.3320 13.3320 13.3320 k = 0.3953 0.2283 0.2368 ( 4192 PWs) bands (ev): -24.8477 -24.8477 -24.8477 -24.8477 -7.7336 -7.7336 -7.7336 -7.7336 -6.6571 -6.6571 -6.6571 -6.6571 -6.5572 -6.5572 -6.5572 -6.5572 -1.0288 -1.0288 -1.0288 -1.0288 4.4956 4.4956 4.4956 4.4956 5.6829 5.6829 5.6829 5.6829 5.9438 5.9438 5.9438 5.9438 6.9125 6.9125 6.9125 6.9125 7.4315 7.4315 7.4315 7.4315 7.6735 7.6735 7.6735 7.6735 9.2400 9.2400 9.2400 9.2400 9.5633 9.5633 9.5633 9.5633 11.4750 11.4750 11.4750 11.4750 13.3479 13.3479 13.3479 13.3479 k = 0.4070 0.2350 0.2368 ( 4196 PWs) bands (ev): -24.8475 -24.8475 -24.8475 -24.8475 -7.7350 -7.7350 -7.7350 -7.7350 -6.6596 -6.6596 -6.6596 -6.6596 -6.5572 -6.5572 -6.5572 -6.5572 -1.0117 -1.0117 -1.0117 -1.0117 4.4983 4.4983 4.4983 4.4983 5.6937 5.6937 5.6937 5.6937 5.9481 5.9481 5.9481 5.9481 6.9103 6.9103 6.9103 6.9103 7.3842 7.3842 7.3842 7.3842 7.6651 7.6651 7.6651 7.6651 9.1857 9.1857 9.1857 9.1857 9.6040 9.6040 9.6040 9.6040 11.4351 11.4351 11.4351 11.4351 13.3616 13.3616 13.3616 13.3616 k = 0.4186 0.2417 0.2368 ( 4198 PWs) bands (ev): -24.8472 -24.8472 -24.8472 -24.8472 -7.7362 -7.7362 -7.7362 -7.7362 -6.6618 -6.6618 -6.6618 -6.6618 -6.5572 -6.5572 -6.5572 -6.5572 -0.9964 -0.9964 -0.9964 -0.9964 4.5012 4.5012 4.5012 4.5012 5.7012 5.7012 5.7012 5.7012 5.9535 5.9535 5.9535 5.9535 6.9082 6.9082 6.9082 6.9082 7.3409 7.3409 7.3409 7.3409 7.6599 7.6599 7.6599 7.6599 9.1335 9.1335 9.1335 9.1335 9.6449 9.6449 9.6449 9.6449 11.3982 11.3982 11.3982 11.3982 13.3731 13.3731 13.3731 13.3731 k = 0.4302 0.2484 0.2368 ( 4194 PWs) bands (ev): -24.8470 -24.8470 -24.8470 -24.8470 -7.7372 -7.7372 -7.7372 -7.7372 -6.6638 -6.6638 -6.6638 -6.6638 -6.5571 -6.5571 -6.5571 -6.5571 -0.9828 -0.9828 -0.9828 -0.9828 4.5043 4.5043 4.5043 4.5043 5.7061 5.7061 5.7061 5.7061 5.9596 5.9596 5.9596 5.9596 6.9063 6.9063 6.9063 6.9063 7.3029 7.3029 7.3029 7.3029 7.6565 7.6565 7.6565 7.6565 9.0858 9.0858 9.0858 9.0858 9.6835 9.6835 9.6835 9.6835 11.3649 11.3649 11.3649 11.3649 13.3826 13.3826 13.3826 13.3826 k = 0.4419 0.2551 0.2368 ( 4196 PWs) bands (ev): -24.8469 -24.8469 -24.8469 -24.8469 -7.7381 -7.7381 -7.7381 -7.7381 -6.6654 -6.6654 -6.6654 -6.6654 -6.5570 -6.5570 -6.5570 -6.5570 -0.9712 -0.9712 -0.9712 -0.9712 4.5074 4.5074 4.5074 4.5074 5.7089 5.7089 5.7089 5.7089 5.9655 5.9655 5.9655 5.9655 6.9047 6.9047 6.9047 6.9047 7.2708 7.2708 7.2708 7.2708 7.6541 7.6541 7.6541 7.6541 9.0439 9.0439 9.0439 9.0439 9.7183 9.7183 9.7183 9.7183 11.3355 11.3355 11.3355 11.3355 13.3902 13.3902 13.3902 13.3902 k = 0.4535 0.2618 0.2368 ( 4180 PWs) bands (ev): -24.8467 -24.8467 -24.8467 -24.8467 -7.7389 -7.7389 -7.7389 -7.7389 -6.6668 -6.6668 -6.6668 -6.6668 -6.5570 -6.5570 -6.5570 -6.5570 -0.9615 -0.9615 -0.9615 -0.9615 4.5102 4.5102 4.5102 4.5102 5.7102 5.7102 5.7102 5.7102 5.9709 5.9709 5.9709 5.9709 6.9033 6.9033 6.9033 6.9033 7.2448 7.2448 7.2448 7.2448 7.6525 7.6525 7.6525 7.6525 9.0085 9.0085 9.0085 9.0085 9.7483 9.7483 9.7483 9.7483 11.3106 11.3106 11.3106 11.3106 13.3962 13.3962 13.3962 13.3962 k = 0.4651 0.2685 0.2368 ( 4180 PWs) bands (ev): -24.8466 -24.8466 -24.8466 -24.8466 -7.7395 -7.7395 -7.7395 -7.7395 -6.6679 -6.6679 -6.6679 -6.6679 -6.5569 -6.5569 -6.5569 -6.5569 -0.9539 -0.9539 -0.9539 -0.9539 4.5125 4.5125 4.5125 4.5125 5.7107 5.7107 5.7107 5.7107 5.9753 5.9753 5.9753 5.9753 6.9022 6.9022 6.9022 6.9022 7.2249 7.2249 7.2249 7.2249 7.6513 7.6513 7.6513 7.6513 8.9804 8.9804 8.9804 8.9804 9.7725 9.7725 9.7725 9.7725 11.2905 11.2905 11.2905 11.2905 13.4006 13.4006 13.4006 13.4006 k = 0.4767 0.2752 0.2368 ( 4196 PWs) bands (ev): -24.8466 -24.8466 -24.8466 -24.8466 -7.7399 -7.7399 -7.7399 -7.7399 -6.6687 -6.6687 -6.6687 -6.6687 -6.5569 -6.5569 -6.5569 -6.5569 -0.9484 -0.9484 -0.9484 -0.9484 4.5144 4.5144 4.5144 4.5144 5.7108 5.7108 5.7108 5.7108 5.9786 5.9786 5.9786 5.9786 6.9015 6.9015 6.9015 6.9015 7.2108 7.2108 7.2108 7.2108 7.6506 7.6506 7.6506 7.6506 8.9600 8.9600 8.9600 8.9600 9.7904 9.7904 9.7904 9.7904 11.2758 11.2758 11.2758 11.2758 13.4037 13.4037 13.4037 13.4037 k = 0.4884 0.2820 0.2368 ( 4184 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7401 -7.7401 -7.7401 -7.7401 -6.6692 -6.6692 -6.6692 -6.6692 -6.5569 -6.5569 -6.5569 -6.5569 -0.9451 -0.9451 -0.9451 -0.9451 4.5155 4.5155 4.5155 4.5155 5.7107 5.7107 5.7107 5.7107 5.9806 5.9806 5.9806 5.9806 6.9011 6.9011 6.9011 6.9011 7.2024 7.2024 7.2024 7.2024 7.6501 7.6501 7.6501 7.6501 8.9476 8.9476 8.9476 8.9476 9.8014 9.8014 9.8014 9.8014 11.2668 11.2668 11.2668 11.2668 13.4055 13.4055 13.4055 13.4055 k = 0.5000 0.2887 0.2368 ( 4184 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7402 -7.7402 -7.7402 -7.7402 -6.6693 -6.6693 -6.6693 -6.6693 -6.5569 -6.5569 -6.5569 -6.5569 -0.9440 -0.9440 -0.9440 -0.9440 4.5159 4.5159 4.5159 4.5159 5.7106 5.7106 5.7106 5.7106 5.9813 5.9813 5.9813 5.9813 6.9009 6.9009 6.9009 6.9009 7.1997 7.1997 7.1997 7.1997 7.6500 7.6500 7.6500 7.6500 8.9434 8.9434 8.9434 8.9434 9.8051 9.8051 9.8051 9.8051 11.2638 11.2638 11.2638 11.2638 13.4061 13.4061 13.4061 13.4061 k = 0.5000 0.2887 0.2368 ( 4184 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7402 -7.7402 -7.7402 -7.7402 -6.6693 -6.6693 -6.6693 -6.6693 -6.5569 -6.5569 -6.5569 -6.5569 -0.9440 -0.9440 -0.9440 -0.9440 4.5159 4.5159 4.5159 4.5159 5.7106 5.7106 5.7106 5.7106 5.9813 5.9813 5.9813 5.9813 6.9009 6.9009 6.9009 6.9009 7.1997 7.1997 7.1997 7.1997 7.6500 7.6500 7.6500 7.6500 8.9434 8.9434 8.9434 8.9434 9.8051 9.8051 9.8051 9.8051 11.2638 11.2638 11.2638 11.2638 13.4061 13.4061 13.4061 13.4061 k = 0.4933 0.3002 0.2368 ( 4192 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7403 -7.7403 -7.7402 -7.7402 -6.6693 -6.6693 -6.6692 -6.6692 -6.5570 -6.5570 -6.5569 -6.5569 -0.9453 -0.9453 -0.9420 -0.9420 4.5157 4.5157 4.5166 4.5166 5.7078 5.7078 5.7135 5.7135 5.9751 5.9751 5.9897 5.9897 6.8841 6.8841 6.9171 6.9171 7.1889 7.1889 7.2087 7.2087 7.6453 7.6453 7.6541 7.6541 8.9108 8.9108 8.9680 8.9680 9.7996 9.7996 9.8130 9.8130 11.2633 11.2633 11.2652 11.2652 13.4042 13.4042 13.4206 13.4206 k = 0.4867 0.3118 0.2368 ( 4188 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7404 -7.7404 -7.7402 -7.7402 -6.6692 -6.6692 -6.6690 -6.6690 -6.5575 -6.5575 -6.5573 -6.5573 -0.9458 -0.9458 -0.9393 -0.9393 4.5160 4.5160 4.5179 4.5179 5.7051 5.7051 5.7161 5.7161 5.9715 5.9715 6.0000 6.0000 6.8667 6.8667 6.9325 6.9325 7.1765 7.1765 7.2160 7.2160 7.6398 7.6398 7.6578 7.6578 8.8706 8.8706 8.9841 8.9841 9.7966 9.7966 9.8235 9.8235 11.2637 11.2637 11.2674 11.2674 13.4151 13.4151 13.4473 13.4473 k = 0.4800 0.3233 0.2368 ( 4192 PWs) bands (ev): -24.8464 -24.8464 -24.8464 -24.8464 -7.7405 -7.7405 -7.7402 -7.7402 -6.6690 -6.6690 -6.6687 -6.6687 -6.5582 -6.5582 -6.5579 -6.5579 -0.9456 -0.9456 -0.9359 -0.9359 4.5169 4.5169 4.5199 4.5199 5.7029 5.7029 5.7184 5.7184 5.9707 5.9707 6.0119 6.0119 6.8489 6.8489 6.9471 6.9471 7.1625 7.1625 7.2216 7.2216 7.6336 7.6336 7.6611 7.6611 8.8235 8.8235 8.9917 8.9917 9.7960 9.7960 9.8363 9.8363 11.2648 11.2648 11.2705 11.2705 13.4387 13.4387 13.4855 13.4855 k = 0.4733 0.3349 0.2368 ( 4196 PWs) bands (ev): -24.8464 -24.8464 -24.8464 -24.8464 -7.7406 -7.7406 -7.7402 -7.7402 -6.6686 -6.6686 -6.6683 -6.6683 -6.5592 -6.5592 -6.5587 -6.5587 -0.9447 -0.9447 -0.9318 -0.9318 4.5181 4.5181 4.5224 4.5224 5.7012 5.7012 5.7201 5.7201 5.9731 5.9731 6.0249 6.0249 6.8307 6.8307 6.9606 6.9606 7.1471 7.1471 7.2255 7.2255 7.6263 7.6263 7.6639 7.6639 8.7705 8.7705 8.9911 8.9911 9.7977 9.7977 9.8516 9.8516 11.2666 11.2666 11.2744 11.2744 13.4746 13.4746 13.5342 13.5342 k = 0.4667 0.3464 0.2368 ( 4208 PWs) bands (ev): -24.8464 -24.8464 -24.8464 -24.8464 -7.7408 -7.7408 -7.7402 -7.7402 -6.6682 -6.6682 -6.6678 -6.6678 -6.5604 -6.5604 -6.5598 -6.5598 -0.9431 -0.9431 -0.9271 -0.9271 4.5198 4.5198 4.5255 4.5255 5.7000 5.7000 5.7212 5.7212 5.9788 5.9788 6.0389 6.0389 6.8122 6.8122 6.9731 6.9731 7.1305 7.1305 7.2278 7.2278 7.6179 7.6179 7.6665 7.6665 8.7125 8.7125 8.9826 8.9826 9.8018 9.8018 9.8691 9.8691 11.2690 11.2690 11.2790 11.2790 13.5223 13.5223 13.5923 13.5923 k = 0.4600 0.3580 0.2368 ( 4200 PWs) bands (ev): -24.8463 -24.8463 -24.8463 -24.8463 -7.7409 -7.7409 -7.7403 -7.7403 -6.6677 -6.6677 -6.6672 -6.6672 -6.5618 -6.5618 -6.5611 -6.5611 -0.9409 -0.9409 -0.9217 -0.9217 4.5218 4.5218 4.5292 4.5292 5.6994 5.6994 5.7217 5.7217 5.9879 5.9879 6.0537 6.0537 6.7935 6.7935 6.9844 6.9844 7.1128 7.1128 7.2285 7.2285 7.6081 7.6081 7.6687 7.6687 8.6507 8.6507 8.9668 8.9668 9.8082 9.8082 9.8888 9.8888 11.2719 11.2719 11.2842 11.2842 13.5807 13.5807 13.6586 13.6586 k = 0.4533 0.3695 0.2368 ( 4192 PWs) bands (ev): -24.8463 -24.8463 -24.8462 -24.8462 -7.7411 -7.7411 -7.7404 -7.7404 -6.6671 -6.6671 -6.6665 -6.6665 -6.5634 -6.5634 -6.5626 -6.5626 -0.9380 -0.9380 -0.9159 -0.9159 4.5242 4.5242 4.5335 4.5335 5.6995 5.6995 5.7218 5.7218 6.0004 6.0004 6.0689 6.0689 6.7746 6.7746 6.9942 6.9942 7.0943 7.0943 7.2279 7.2279 7.5966 7.5966 7.6706 7.6706 8.5861 8.5861 8.9445 8.9445 9.8167 9.8167 9.9105 9.9105 11.2752 11.2752 11.2899 11.2899 13.6488 13.6488 13.7317 13.7317 k = 0.4467 0.3811 0.2368 ( 4194 PWs) bands (ev): -24.8462 -24.8462 -24.8462 -24.8462 -7.7413 -7.7413 -7.7405 -7.7405 -6.6665 -6.6665 -6.6658 -6.6658 -6.5652 -6.5652 -6.5643 -6.5643 -0.9346 -0.9346 -0.9095 -0.9095 4.5268 4.5268 4.5384 4.5384 5.7001 5.7001 5.7215 5.7215 6.0160 6.0160 6.0844 6.0844 6.7554 6.7554 7.0024 7.0024 7.0755 7.0755 7.2259 7.2259 7.5834 7.5834 7.6723 7.6723 8.5199 8.5199 8.9166 8.9166 9.8274 9.8274 9.9340 9.9340 11.2788 11.2788 11.2958 11.2958 13.7253 13.7253 13.8099 13.8099 k = 0.4400 0.3926 0.2368 ( 4196 PWs) bands (ev): -24.8461 -24.8461 -24.8461 -24.8461 -7.7415 -7.7415 -7.7406 -7.7406 -6.6658 -6.6658 -6.6650 -6.6650 -6.5671 -6.5671 -6.5661 -6.5661 -0.9307 -0.9307 -0.9027 -0.9027 4.5295 4.5295 4.5439 4.5439 5.7013 5.7013 5.7211 5.7211 6.0346 6.0346 6.1000 6.1000 6.7360 6.7360 7.0088 7.0088 7.0566 7.0566 7.2229 7.2229 7.5682 7.5682 7.6737 7.6737 8.4533 8.4533 8.8838 8.8838 9.8400 9.8400 9.9591 9.9591 11.2824 11.2824 11.3018 11.3018 13.8085 13.8085 13.8916 13.8916 k = 0.4333 0.4041 0.2368 ( 4192 PWs) bands (ev): -24.8460 -24.8460 -24.8460 -24.8460 -7.7418 -7.7418 -7.7407 -7.7407 -6.6650 -6.6650 -6.6641 -6.6641 -6.5692 -6.5692 -6.5681 -6.5681 -0.9263 -0.9263 -0.8955 -0.8955 4.5325 4.5325 4.5498 4.5498 5.7028 5.7028 5.7208 5.7208 6.0561 6.0561 6.1156 6.1156 6.7163 6.7163 7.0132 7.0132 7.0381 7.0381 7.2187 7.2187 7.5510 7.5510 7.6748 7.6748 8.3872 8.3872 8.8472 8.8472 9.8546 9.8546 9.9856 9.9856 11.2860 11.2860 11.3076 11.3076 13.8969 13.8969 13.9749 13.9749 k = 0.4267 0.4157 0.2368 ( 4196 PWs) bands (ev): -24.8460 -24.8460 -24.8459 -24.8459 -7.7420 -7.7420 -7.7409 -7.7409 -6.6642 -6.6642 -6.6632 -6.6632 -6.5714 -6.5714 -6.5702 -6.5702 -0.9216 -0.9216 -0.8881 -0.8881 4.5356 4.5356 4.5562 4.5562 5.7046 5.7046 5.7207 5.7207 6.0802 6.0802 6.1311 6.1311 6.6961 6.6961 7.0152 7.0152 7.0204 7.0204 7.2136 7.2136 7.5318 7.5318 7.6759 7.6759 8.3229 8.3229 8.8077 8.8077 9.8708 9.8708 10.0134 10.0134 11.2893 11.2893 11.3131 11.3131 13.9885 13.9885 14.0577 14.0577 k = 0.4200 0.4272 0.2368 ( 4188 PWs) bands (ev): -24.8459 -24.8459 -24.8458 -24.8458 -7.7423 -7.7423 -7.7411 -7.7411 -6.6633 -6.6633 -6.6623 -6.6623 -6.5736 -6.5736 -6.5723 -6.5723 -0.9165 -0.9165 -0.8805 -0.8805 4.5387 4.5387 4.5630 4.5630 5.7065 5.7065 5.7211 5.7211 6.1066 6.1066 6.1464 6.1464 6.6754 6.6754 7.0041 7.0041 7.0147 7.0147 7.2073 7.2073 7.5110 7.5110 7.6767 7.6767 8.2611 8.2611 8.7659 8.7659 9.8884 9.8884 10.0421 10.0421 11.2923 11.2923 11.3180 11.3180 14.0810 14.0810 14.1377 14.1377 k = 0.4133 0.4388 0.2368 ( 4186 PWs) bands (ev): -24.8458 -24.8458 -24.8457 -24.8457 -7.7425 -7.7425 -7.7413 -7.7413 -6.6625 -6.6625 -6.6613 -6.6613 -6.5759 -6.5759 -6.5745 -6.5745 -0.9112 -0.9112 -0.8728 -0.8728 4.5418 4.5418 4.5702 4.5702 5.7084 5.7084 5.7218 5.7218 6.1353 6.1353 6.1615 6.1615 6.6539 6.6539 6.9896 6.9896 7.0114 7.0114 7.1995 7.1995 7.4892 7.4892 7.6775 7.6775 8.2028 8.2028 8.7229 8.7229 9.9073 9.9073 10.0715 10.0715 11.2948 11.2948 11.3221 11.3221 14.1719 14.1719 14.2125 14.2125 k = 0.4067 0.4503 0.2368 ( 4194 PWs) bands (ev): -24.8457 -24.8457 -24.8457 -24.8457 -7.7428 -7.7428 -7.7415 -7.7415 -6.6616 -6.6616 -6.6604 -6.6604 -6.5781 -6.5781 -6.5766 -6.5766 -0.9058 -0.9058 -0.8651 -0.8651 4.5449 4.5449 4.5776 4.5776 5.7101 5.7101 5.7231 5.7231 6.1658 6.1658 6.1763 6.1763 6.6317 6.6317 6.9773 6.9773 7.0054 7.0054 7.1896 7.1896 7.4672 7.4672 7.6782 7.6782 8.1485 8.1485 8.6793 8.6793 9.9272 9.9272 10.1012 10.1012 11.2966 11.2966 11.3252 11.3252 14.2580 14.2580 14.2794 14.2794 k = 0.4000 0.4619 0.2368 ( 4186 PWs) bands (ev): -24.8456 -24.8456 -24.8456 -24.8456 -7.7431 -7.7431 -7.7417 -7.7417 -6.6608 -6.6608 -6.6595 -6.6595 -6.5803 -6.5803 -6.5787 -6.5787 -0.9003 -0.9003 -0.8575 -0.8575 4.5480 4.5480 4.5852 4.5852 5.7115 5.7115 5.7250 5.7250 6.1908 6.1908 6.1980 6.1980 6.6087 6.6087 6.9673 6.9673 6.9966 6.9966 7.1770 7.1770 7.4462 7.4462 7.6789 7.6789 8.0988 8.0988 8.6358 8.6358 9.9477 9.9477 10.1310 10.1310 11.2976 11.2976 11.3272 11.3272 14.3353 14.3353 14.3359 14.3359 k = 0.3933 0.4734 0.2368 ( 4178 PWs) bands (ev): -24.8455 -24.8455 -24.8455 -24.8455 -7.7433 -7.7433 -7.7419 -7.7419 -6.6600 -6.6600 -6.6586 -6.6586 -6.5825 -6.5825 -6.5807 -6.5807 -0.8948 -0.8948 -0.8501 -0.8501 4.5509 4.5509 4.5929 4.5929 5.7125 5.7125 5.7273 5.7273 6.2052 6.2052 6.2315 6.2315 6.5851 6.5851 6.9598 6.9598 6.9853 6.9853 7.1609 7.1609 7.4277 7.4277 7.6796 7.6796 8.0538 8.0538 8.5933 8.5933 9.9685 9.9685 10.1605 10.1605 11.2978 11.2978 11.3280 11.3280 14.3800 14.3800 14.3988 14.3988 k = 0.3867 0.4850 0.2368 ( 4170 PWs) bands (ev): -24.8454 -24.8454 -24.8454 -24.8454 -7.7436 -7.7436 -7.7421 -7.7421 -6.6593 -6.6593 -6.6578 -6.6578 -6.5845 -6.5845 -6.5826 -6.5826 -0.8895 -0.8895 -0.8431 -0.8431 4.5537 4.5537 4.6005 4.6005 5.7129 5.7129 5.7300 5.7300 6.2195 6.2195 6.2659 6.2659 6.5611 6.5611 6.9548 6.9548 6.9718 6.9718 7.1410 7.1410 7.4125 7.4125 7.6804 7.6804 8.0136 8.0136 8.5522 8.5522 9.9892 9.9892 10.1893 10.1893 11.2972 11.2972 11.3275 11.3275 14.4115 14.4115 14.4439 14.4439 k = 0.3800 0.4965 0.2368 ( 4170 PWs) bands (ev): -24.8454 -24.8454 -24.8453 -24.8453 -7.7439 -7.7439 -7.7423 -7.7423 -6.6586 -6.6586 -6.6571 -6.6571 -6.5863 -6.5863 -6.5844 -6.5844 -0.8845 -0.8845 -0.8364 -0.8364 4.5564 4.5564 4.6078 4.6078 5.7128 5.7128 5.7330 5.7330 6.2336 6.2336 6.3007 6.3007 6.5370 6.5370 6.9519 6.9519 6.9565 6.9565 7.1176 7.1176 7.4013 7.4013 7.6813 7.6813 7.9781 7.9781 8.5135 8.5135 10.0093 10.0093 10.2169 10.2169 11.2957 11.2957 11.3257 11.3257 14.4326 14.4326 14.4703 14.4703 k = 0.3733 0.5081 0.2368 ( 4174 PWs) bands (ev): -24.8453 -24.8453 -24.8452 -24.8452 -7.7441 -7.7441 -7.7425 -7.7425 -6.6580 -6.6580 -6.6565 -6.6565 -6.5879 -6.5879 -6.5860 -6.5860 -0.8797 -0.8797 -0.8303 -0.8303 4.5588 4.5588 4.6148 4.6148 5.7121 5.7121 5.7362 5.7362 6.2477 6.2477 6.3352 6.3352 6.5132 6.5132 6.9402 6.9402 6.9509 6.9509 7.0919 7.0919 7.3937 7.3937 7.6823 7.6823 7.9474 7.9474 8.4776 8.4776 10.0284 10.0284 10.2427 10.2427 11.2935 11.2935 11.3229 11.3229 14.4467 14.4467 14.4841 14.4841 k = 0.3667 0.5196 0.2368 ( 4178 PWs) bands (ev): -24.8452 -24.8452 -24.8452 -24.8452 -7.7443 -7.7443 -7.7427 -7.7427 -6.6575 -6.6575 -6.6560 -6.6560 -6.5893 -6.5893 -6.5873 -6.5873 -0.8755 -0.8755 -0.8249 -0.8249 4.5610 4.5610 4.6213 4.6213 5.7110 5.7110 5.7394 5.7394 6.2616 6.2616 6.3683 6.3683 6.4902 6.4902 6.9235 6.9235 6.9512 6.9512 7.0654 7.0654 7.3891 7.3891 7.6833 7.6833 7.9212 7.9212 8.4455 8.4455 10.0460 10.0460 10.2663 10.2663 11.2908 11.2908 11.3193 11.3193 14.4570 14.4570 14.4920 14.4920 k = 0.3600 0.5312 0.2368 ( 4186 PWs) bands (ev): -24.8452 -24.8452 -24.8451 -24.8451 -7.7445 -7.7445 -7.7428 -7.7428 -6.6572 -6.6572 -6.6556 -6.6556 -6.5905 -6.5905 -6.5885 -6.5885 -0.8718 -0.8718 -0.8202 -0.8202 4.5630 4.5630 4.6269 4.6269 5.7096 5.7096 5.7424 5.7424 6.2752 6.2752 6.3990 6.3990 6.4686 6.4686 6.9078 6.9078 6.9524 6.9524 7.0397 7.0397 7.3867 7.3867 7.6843 7.6843 7.8996 7.8996 8.4176 8.4176 10.0616 10.0616 10.2871 10.2871 11.2877 11.2877 11.3151 11.3151 14.4657 14.4657 14.4979 14.4979 k = 0.3533 0.5427 0.2368 ( 4190 PWs) bands (ev): -24.8451 -24.8451 -24.8451 -24.8451 -7.7447 -7.7447 -7.7430 -7.7430 -6.6569 -6.6569 -6.6553 -6.6553 -6.5914 -6.5914 -6.5893 -6.5893 -0.8687 -0.8687 -0.8164 -0.8164 4.5645 4.5645 4.6316 4.6316 5.7081 5.7081 5.7450 5.7450 6.2880 6.2880 6.4256 6.4256 6.4493 6.4493 6.8942 6.8942 6.9540 6.9540 7.0165 7.0165 7.3856 7.3856 7.6852 7.6852 7.8826 7.8826 8.3949 8.3949 10.0746 10.0746 10.3043 10.3043 11.2846 11.2846 11.3110 11.3110 14.4737 14.4737 14.5036 14.5036 k = 0.3467 0.5543 0.2368 ( 4198 PWs) bands (ev): -24.8451 -24.8451 -24.8450 -24.8450 -7.7448 -7.7448 -7.7431 -7.7431 -6.6567 -6.6567 -6.6551 -6.6551 -6.5921 -6.5921 -6.5900 -6.5900 -0.8664 -0.8664 -0.8135 -0.8135 4.5657 4.5657 4.6352 4.6352 5.7067 5.7067 5.7471 5.7471 6.2991 6.2991 6.4334 6.4334 6.4463 6.4463 6.8842 6.8842 6.9556 6.9556 6.9976 6.9976 7.3854 7.3854 7.6860 7.6860 7.8703 7.8703 8.3779 8.3779 10.0846 10.0846 10.3174 10.3174 11.2819 11.2819 11.3073 11.3073 14.4809 14.4809 14.5090 14.5090 k = 0.3400 0.5658 0.2368 ( 4190 PWs) bands (ev): -24.8451 -24.8451 -24.8450 -24.8450 -7.7449 -7.7449 -7.7432 -7.7432 -6.6566 -6.6566 -6.6550 -6.6550 -6.5925 -6.5925 -6.5903 -6.5903 -0.8650 -0.8650 -0.8117 -0.8117 4.5665 4.5665 4.6375 4.6375 5.7057 5.7057 5.7484 5.7484 6.3070 6.3070 6.4225 6.4225 6.4595 6.4595 6.8784 6.8784 6.9567 6.9567 6.9848 6.9848 7.3854 7.3854 7.6866 7.6866 7.8628 7.8628 8.3673 8.3673 10.0909 10.0909 10.3256 10.3256 11.2799 11.2799 11.3046 11.3046 14.4866 14.4866 14.5134 14.5134 k = 0.3333 0.5774 0.2368 ( 4194 PWs) bands (ev): -24.8450 -24.8450 -24.8450 -24.8450 -7.7449 -7.7449 -7.7432 -7.7432 -6.6566 -6.6566 -6.6550 -6.6550 -6.5926 -6.5926 -6.5904 -6.5904 -0.8645 -0.8645 -0.8111 -0.8111 4.5667 4.5667 4.6383 4.6383 5.7053 5.7053 5.7488 5.7488 6.3099 6.3099 6.4185 6.4185 6.4640 6.4640 6.8767 6.8767 6.9571 6.9571 6.9802 6.9802 7.3854 7.3854 7.6868 7.6868 7.8602 7.8602 8.3637 8.3637 10.0931 10.0931 10.3285 10.3285 11.2792 11.2792 11.3036 11.3036 14.4889 14.4889 14.5153 14.5153 k = 0.3333 0.5774 0.2368 ( 4194 PWs) bands (ev): -24.8450 -24.8450 -24.8450 -24.8450 -7.7449 -7.7449 -7.7432 -7.7432 -6.6566 -6.6566 -6.6550 -6.6550 -6.5926 -6.5926 -6.5904 -6.5904 -0.8645 -0.8645 -0.8111 -0.8111 4.5667 4.5667 4.6383 4.6383 5.7053 5.7053 5.7488 5.7488 6.3099 6.3099 6.4185 6.4185 6.4640 6.4640 6.8767 6.8767 6.9571 6.9571 6.9802 6.9802 7.3854 7.3854 7.6868 7.6868 7.8602 7.8602 8.3637 8.3637 10.0931 10.0931 10.3285 10.3285 11.2792 11.2792 11.3036 11.3036 14.4889 14.4889 14.5153 14.5153 k = 0.3267 0.5658 0.2368 ( 4190 PWs) bands (ev): -24.8451 -24.8451 -24.8450 -24.8450 -7.7449 -7.7449 -7.7432 -7.7432 -6.6566 -6.6566 -6.6550 -6.6550 -6.5925 -6.5925 -6.5903 -6.5903 -0.8650 -0.8650 -0.8118 -0.8118 4.5664 4.5664 4.6375 4.6375 5.7057 5.7057 5.7484 5.7484 6.3071 6.3071 6.4223 6.4223 6.4596 6.4596 6.8781 6.8781 6.9567 6.9567 6.9851 6.9851 7.3854 7.3854 7.6866 7.6866 7.8628 7.8628 8.3674 8.3674 10.0907 10.0907 10.3255 10.3255 11.2801 11.2801 11.3048 11.3048 14.4858 14.4858 14.5127 14.5127 k = 0.3200 0.5543 0.2368 ( 4198 PWs) bands (ev): -24.8451 -24.8451 -24.8450 -24.8450 -7.7448 -7.7448 -7.7431 -7.7431 -6.6567 -6.6567 -6.6550 -6.6550 -6.5921 -6.5921 -6.5900 -6.5900 -0.8666 -0.8666 -0.8137 -0.8137 4.5656 4.5656 4.6350 4.6350 5.7071 5.7071 5.7470 5.7470 6.2998 6.2998 6.4325 6.4325 6.4472 6.4472 6.8819 6.8819 6.9556 6.9556 6.9994 6.9994 7.3855 7.3855 7.6860 7.6860 7.8708 7.8708 8.3787 8.3787 10.0836 10.0836 10.3163 10.3163 11.2830 11.2830 11.3086 11.3086 14.4754 14.4754 14.5035 14.5035 k = 0.3133 0.5427 0.2368 ( 4192 PWs) bands (ev): -24.8451 -24.8451 -24.8451 -24.8451 -7.7446 -7.7446 -7.7429 -7.7429 -6.6567 -6.6567 -6.6550 -6.6550 -6.5916 -6.5916 -6.5895 -6.5895 -0.8695 -0.8695 -0.8171 -0.8171 4.5641 4.5641 4.6309 4.6309 5.7094 5.7094 5.7449 5.7449 6.2900 6.2900 6.4280 6.4280 6.4470 6.4470 6.8887 6.8887 6.9541 6.9541 7.0210 7.0210 7.3861 7.3861 7.6850 7.6850 7.8842 7.8842 8.3977 8.3977 10.0713 10.0713 10.3007 10.3007 11.2883 11.2883 11.3153 11.3153 14.4569 14.4569 14.4864 14.4864 k = 0.3067 0.5312 0.2368 ( 4192 PWs) bands (ev): -24.8452 -24.8452 -24.8451 -24.8451 -7.7444 -7.7444 -7.7427 -7.7427 -6.6567 -6.6567 -6.6550 -6.6550 -6.5909 -6.5909 -6.5888 -6.5888 -0.8735 -0.8735 -0.8219 -0.8219 4.5621 4.5621 4.6252 4.6252 5.7127 5.7127 5.7421 5.7421 6.2791 6.2791 6.4032 6.4032 6.4641 6.4641 6.8994 6.8994 6.9529 6.9529 7.0471 7.0471 7.3878 7.3878 7.6838 7.6838 7.9033 7.9033 8.4241 8.4241 10.0539 10.0539 10.2789 10.2789 11.2962 11.2962 11.3252 11.3252 14.4309 14.4309 14.4613 14.4613 k = 0.3000 0.5196 0.2368 ( 4192 PWs) bands (ev): -24.8453 -24.8453 -24.8452 -24.8452 -7.7440 -7.7440 -7.7424 -7.7424 -6.6566 -6.6566 -6.6549 -6.6549 -6.5901 -6.5901 -6.5880 -6.5880 -0.8789 -0.8789 -0.8282 -0.8282 4.5594 4.5594 4.6180 4.6180 5.7166 5.7166 5.7389 5.7389 6.2677 6.2677 6.3741 6.3741 6.4827 6.4827 6.9147 6.9147 6.9528 6.9528 7.0749 7.0749 7.3912 7.3912 7.6824 7.6824 7.9281 7.9281 8.4577 8.4577 10.0313 10.0313 10.2510 10.2510 11.3070 11.3070 11.3382 11.3382 14.3990 14.3990 14.4293 14.4293 k = 0.2933 0.5081 0.2368 ( 4180 PWs) bands (ev): -24.8454 -24.8454 -24.8453 -24.8453 -7.7436 -7.7436 -7.7420 -7.7420 -6.6564 -6.6564 -6.6547 -6.6547 -6.5891 -6.5891 -6.5870 -6.5870 -0.8856 -0.8856 -0.8360 -0.8360 4.5561 4.5561 4.6096 4.6096 5.7209 5.7209 5.7356 5.7356 6.2561 6.2561 6.3416 6.3416 6.5022 6.5022 6.9344 6.9344 6.9548 6.9548 7.1026 7.1026 7.3971 7.3971 7.6810 7.6810 7.9589 7.9589 8.4981 8.4981 10.0037 10.0037 10.2175 10.2175 11.3207 11.3207 11.3543 11.3543 14.3629 14.3629 14.3922 14.3922 k = 0.2867 0.4965 0.2368 ( 4176 PWs) bands (ev): -24.8455 -24.8455 -24.8454 -24.8454 -7.7431 -7.7431 -7.7415 -7.7415 -6.6560 -6.6560 -6.6543 -6.6543 -6.5880 -6.5880 -6.5859 -6.5859 -0.8937 -0.8937 -0.8454 -0.8454 4.5523 4.5523 4.6001 4.6001 5.7253 5.7253 5.7324 5.7324 6.2442 6.2442 6.3064 6.3064 6.5218 6.5218 6.9580 6.9580 6.9601 6.9601 7.1294 7.1294 7.4060 7.4060 7.6796 7.6796 7.9957 7.9957 8.5448 8.5448 9.9715 9.9715 10.1789 10.1789 11.3373 11.3373 11.3733 11.3733 14.3240 14.3240 14.3516 14.3516 k = 0.2800 0.4850 0.2368 ( 4176 PWs) bands (ev): -24.8456 -24.8456 -24.8456 -24.8456 -7.7425 -7.7425 -7.7409 -7.7409 -6.6556 -6.6556 -6.6538 -6.6538 -6.5869 -6.5869 -6.5848 -6.5848 -0.9032 -0.9032 -0.8563 -0.8563 4.5480 4.5480 4.5898 4.5898 5.7292 5.7292 5.7294 5.7294 6.2321 6.2321 6.2691 6.2691 6.5412 6.5412 6.9702 6.9702 6.9839 6.9839 7.1555 7.1555 7.4182 7.4182 7.6783 7.6783 8.0386 8.0386 8.5974 8.5974 9.9348 9.9348 10.1357 10.1357 11.3568 11.3568 11.3949 11.3949 14.2837 14.2837 14.3089 14.3089 k = 0.2733 0.4734 0.2368 ( 4184 PWs) bands (ev): -24.8458 -24.8458 -24.8457 -24.8457 -7.7417 -7.7417 -7.7403 -7.7403 -6.6550 -6.6550 -6.6532 -6.6532 -6.5857 -6.5857 -6.5836 -6.5836 -0.9141 -0.9141 -0.8688 -0.8688 4.5433 4.5433 4.5790 4.5790 5.7270 5.7270 5.7323 5.7323 6.2194 6.2194 6.2304 6.2304 6.5599 6.5599 6.9861 6.9861 7.0097 7.0097 7.1830 7.1830 7.4334 7.4334 7.6772 7.6772 8.0875 8.0875 8.6552 8.6552 9.8942 9.8942 10.0887 10.0887 11.3792 11.3792 11.4190 11.4190 14.2426 14.2426 14.2653 14.2653 k = 0.2667 0.4619 0.2368 ( 4188 PWs) bands (ev): -24.8460 -24.8460 -24.8459 -24.8459 -7.7409 -7.7409 -7.7395 -7.7395 -6.6542 -6.6542 -6.6524 -6.6524 -6.5845 -6.5845 -6.5823 -6.5823 -0.9264 -0.9264 -0.8828 -0.8828 4.5384 4.5384 4.5679 4.5679 5.7250 5.7250 5.7340 5.7340 6.1907 6.1907 6.2062 6.2062 6.5776 6.5776 7.0091 7.0091 7.0324 7.0324 7.2149 7.2149 7.4510 7.4510 7.6762 7.6762 8.1423 8.1423 8.7178 8.7178 9.8501 9.8501 10.0384 10.0384 11.4043 11.4043 11.4455 11.4455 14.2014 14.2014 14.2213 14.2213 k = 0.2600 0.4503 0.2368 ( 4184 PWs) bands (ev): -24.8462 -24.8462 -24.8461 -24.8461 -7.7400 -7.7400 -7.7386 -7.7386 -6.6532 -6.6532 -6.6513 -6.6513 -6.5832 -6.5832 -6.5810 -6.5810 -0.9401 -0.9401 -0.8983 -0.8983 4.5333 4.5333 4.5569 4.5569 5.7234 5.7234 5.7338 5.7338 6.1505 6.1505 6.1923 6.1923 6.5942 6.5942 7.0397 7.0397 7.0494 7.0494 7.2539 7.2539 7.4705 7.4705 7.6754 7.6754 8.2027 8.2027 8.7843 8.7843 9.8030 9.8030 9.9857 9.9857 11.4320 11.4320 11.4740 11.4740 14.1607 14.1607 14.1776 14.1776 k = 0.2533 0.4388 0.2368 ( 4180 PWs) bands (ev): -24.8464 -24.8464 -24.8463 -24.8463 -7.7389 -7.7389 -7.7376 -7.7376 -6.6521 -6.6521 -6.6501 -6.6501 -6.5819 -6.5819 -6.5797 -6.5797 -0.9551 -0.9551 -0.9153 -0.9153 4.5283 4.5283 4.5461 4.5461 5.7221 5.7221 5.7313 5.7313 6.1106 6.1106 6.1780 6.1780 6.6098 6.6098 7.0600 7.0600 7.0784 7.0784 7.3008 7.3008 7.4916 7.4916 7.6749 7.6749 8.2682 8.2682 8.8543 8.8543 9.7534 9.7534 9.9313 9.9313 11.4624 11.4624 11.5046 11.5046 14.1207 14.1207 14.1345 14.1345 k = 0.2467 0.4272 0.2368 ( 4188 PWs) bands (ev): -24.8466 -24.8466 -24.8466 -24.8466 -7.7378 -7.7378 -7.7365 -7.7365 -6.6507 -6.6507 -6.6487 -6.6487 -6.5806 -6.5806 -6.5784 -6.5784 -0.9715 -0.9715 -0.9336 -0.9336 4.5234 4.5234 4.5359 4.5359 5.7207 5.7207 5.7262 5.7262 6.0714 6.0714 6.1635 6.1635 6.6247 6.6247 7.0651 7.0651 7.1250 7.1250 7.3540 7.3540 7.5150 7.5150 7.6746 7.6746 8.3384 8.3384 8.9268 8.9268 9.7019 9.7019 9.8762 9.8762 11.4951 11.4951 11.5370 11.5370 14.0817 14.0817 14.0925 14.0925 k = 0.2400 0.4157 0.2368 ( 4186 PWs) bands (ev): -24.8469 -24.8469 -24.8469 -24.8469 -7.7365 -7.7365 -7.7353 -7.7353 -6.6492 -6.6492 -6.6471 -6.6471 -6.5793 -6.5793 -6.5770 -6.5770 -0.9891 -0.9891 -0.9533 -0.9533 4.5188 4.5188 4.5264 4.5264 5.7180 5.7180 5.7185 5.7185 6.0339 6.0339 6.1491 6.1491 6.6393 6.6393 7.0660 7.0660 7.1791 7.1791 7.4093 7.4093 7.5433 7.5433 7.6747 7.6747 8.4126 8.4126 9.0007 9.0007 9.6491 9.6491 9.8216 9.8216 11.5303 11.5303 11.5713 11.5713 14.0439 14.0439 14.0515 14.0515 k = 0.2333 0.4041 0.2368 ( 4186 PWs) bands (ev): -24.8472 -24.8472 -24.8471 -24.8471 -7.7351 -7.7351 -7.7340 -7.7340 -6.6475 -6.6475 -6.6454 -6.6454 -6.5779 -6.5779 -6.5756 -6.5756 -1.0079 -1.0079 -0.9742 -0.9742 4.5146 4.5146 4.5179 4.5179 5.7066 5.7066 5.7146 5.7146 5.9993 5.9993 6.1352 6.1352 6.6538 6.6538 7.0642 7.0642 7.2400 7.2400 7.4594 7.4594 7.5826 7.5826 7.6754 7.6754 8.4901 8.4901 9.0741 9.0741 9.5957 9.5957 9.7695 9.7695 11.5678 11.5678 11.6074 11.6074 14.0074 14.0074 14.0118 14.0118 k = 0.2267 0.3926 0.2368 ( 4186 PWs) bands (ev): -24.8475 -24.8475 -24.8475 -24.8475 -7.7337 -7.7337 -7.7326 -7.7326 -6.6456 -6.6456 -6.6434 -6.6434 -6.5766 -6.5766 -6.5742 -6.5742 -1.0279 -1.0279 -0.9962 -0.9962 4.5104 4.5104 4.5110 4.5110 5.6919 5.6919 5.7076 5.7076 5.9687 5.9687 6.1221 6.1221 6.6684 6.6684 7.0604 7.0604 7.3068 7.3068 7.4966 7.4966 7.6394 7.6394 7.6771 7.6771 8.5701 8.5701 9.1441 9.1441 9.5426 9.5426 9.7229 9.7229 11.6076 11.6076 11.6453 11.6453 13.9722 13.9722 13.9734 13.9734 k = 0.2200 0.3811 0.2368 ( 4184 PWs) bands (ev): -24.8478 -24.8478 -24.8478 -24.8478 -7.7321 -7.7321 -7.7311 -7.7311 -6.6435 -6.6435 -6.6413 -6.6413 -6.5752 -6.5752 -6.5728 -6.5728 -1.0490 -1.0490 -1.0194 -1.0194 4.5040 4.5040 4.5081 4.5081 5.6738 5.6738 5.6963 5.6963 5.9439 5.9439 6.1103 6.1103 6.6833 6.6833 7.0554 7.0554 7.3777 7.3777 7.5218 7.5218 7.6810 7.6810 7.7125 7.7125 8.6513 8.6513 9.2051 9.2051 9.4908 9.4908 9.6874 9.6874 11.6495 11.6495 11.6850 11.6850 13.9363 13.9363 13.9383 13.9383 k = 0.2133 0.3695 0.2368 ( 4180 PWs) bands (ev): -24.8482 -24.8482 -24.8481 -24.8481 -7.7305 -7.7305 -7.7295 -7.7295 -6.6413 -6.6413 -6.6390 -6.6390 -6.5738 -6.5738 -6.5713 -6.5713 -1.0710 -1.0710 -1.0435 -1.0435 4.4989 4.4989 4.5059 4.5059 5.6526 5.6526 5.6795 5.6795 5.9259 5.9259 6.0999 6.0999 6.6985 6.6985 7.0497 7.0497 7.4500 7.4500 7.5398 7.5398 7.6895 7.6895 7.7964 7.7964 8.7319 8.7319 9.2479 9.2479 9.4423 9.4423 9.6723 9.6723 11.6936 11.6936 11.7264 11.7264 13.9004 13.9004 13.9057 13.9057 k = 0.2067 0.3580 0.2368 ( 4182 PWs) bands (ev): -24.8485 -24.8485 -24.8485 -24.8485 -7.7287 -7.7287 -7.7279 -7.7279 -6.6390 -6.6390 -6.6367 -6.6367 -6.5723 -6.5723 -6.5698 -6.5698 -1.0939 -1.0939 -1.0684 -1.0684 4.4952 4.4952 4.5046 4.5046 5.6287 5.6287 5.6568 5.6568 5.9150 5.9150 6.0911 6.0911 6.7139 6.7139 7.0434 7.0434 7.5169 7.5169 7.5536 7.5536 7.7087 7.7087 7.8876 7.8876 8.8090 8.8090 9.2628 9.2628 9.3999 9.3999 9.6872 9.6872 11.7398 11.7398 11.7695 11.7695 13.8654 13.8654 13.8741 13.8741 k = 0.2000 0.3464 0.2368 ( 4188 PWs) bands (ev): -24.8489 -24.8489 -24.8489 -24.8489 -7.7269 -7.7269 -7.7262 -7.7262 -6.6366 -6.6366 -6.6342 -6.6342 -6.5708 -6.5708 -6.5683 -6.5683 -1.1176 -1.1176 -1.0941 -1.0941 4.4928 4.4928 4.5042 4.5042 5.6022 5.6022 5.6292 5.6292 5.9106 5.9106 6.0838 6.0838 6.7295 6.7295 7.0368 7.0368 7.5646 7.5646 7.5667 7.5667 7.7500 7.7500 7.9845 7.9845 8.8772 8.8772 9.2486 9.2486 9.3690 9.3690 9.7335 9.7335 11.7880 11.7880 11.8144 11.8144 13.8306 13.8306 13.8431 13.8431 k = 0.1933 0.3349 0.2368 ( 4186 PWs) bands (ev): -24.8493 -24.8493 -24.8492 -24.8492 -7.7251 -7.7251 -7.7244 -7.7244 -6.6340 -6.6340 -6.6316 -6.6316 -6.5692 -6.5692 -6.5667 -6.5667 -1.1419 -1.1419 -1.1204 -1.1204 4.4917 4.4917 4.5047 4.5047 5.5738 5.5738 5.5978 5.5978 5.9114 5.9114 6.0780 6.0780 6.7453 6.7453 7.0302 7.0302 7.5736 7.5736 7.5932 7.5932 7.8191 7.8191 8.0861 8.0861 8.9277 8.9277 9.2139 9.2139 9.3585 9.3585 9.8025 9.8025 11.8382 11.8382 11.8610 11.8610 13.7944 13.7944 13.8118 13.8118 k = 0.1867 0.3233 0.2368 ( 4194 PWs) bands (ev): -24.8497 -24.8497 -24.8496 -24.8496 -7.7232 -7.7232 -7.7225 -7.7225 -6.6315 -6.6315 -6.6290 -6.6290 -6.5675 -6.5675 -6.5650 -6.5650 -1.1669 -1.1669 -1.1472 -1.1472 4.4919 4.4919 4.5061 4.5061 5.5438 5.5438 5.5641 5.5641 5.9159 5.9159 6.0737 6.0737 6.7611 6.7611 7.0235 7.0235 7.5808 7.5808 7.6041 7.6041 7.9080 7.9080 8.1916 8.1916 8.9512 8.9512 9.1677 9.1677 9.3777 9.3777 9.8854 9.8854 11.8903 11.8903 11.9092 11.9092 13.7533 13.7533 13.7788 13.7788 k = 0.1800 0.3118 0.2368 ( 4194 PWs) bands (ev): -24.8501 -24.8501 -24.8500 -24.8500 -7.7212 -7.7212 -7.7206 -7.7206 -6.6288 -6.6288 -6.6264 -6.6264 -6.5656 -6.5656 -6.5632 -6.5632 -1.1922 -1.1922 -1.1744 -1.1744 4.4934 4.4934 4.5084 4.5084 5.5128 5.5128 5.5291 5.5291 5.9232 5.9232 6.0707 6.0707 6.7767 6.7767 7.0169 7.0169 7.5865 7.5865 7.6075 7.6075 8.0081 8.0081 8.3004 8.3004 8.9463 8.9463 9.1156 9.1156 9.4282 9.4282 9.9765 9.9765 11.9441 11.9441 11.9590 11.9590 13.7001 13.7001 13.7412 13.7412 k = 0.1733 0.3002 0.2368 ( 4192 PWs) bands (ev): -24.8505 -24.8505 -24.8505 -24.8505 -7.7192 -7.7192 -7.7187 -7.7187 -6.6262 -6.6262 -6.6238 -6.6238 -6.5637 -6.5637 -6.5613 -6.5613 -1.2179 -1.2179 -1.2018 -1.2018 4.4961 4.4961 4.5116 4.5116 5.4811 5.4811 5.4936 5.4936 5.9325 5.9325 6.0688 6.0688 6.7921 6.7921 7.0104 7.0104 7.5909 7.5909 7.6072 7.6072 8.1152 8.1152 8.4120 8.4120 8.9214 8.9214 9.0606 9.0606 9.5018 9.5018 10.0727 10.0727 11.9996 11.9996 12.0102 12.0102 13.6282 13.6282 13.6948 13.6948 k = 0.1667 0.2887 0.2368 ( 4200 PWs) bands (ev): -24.8509 -24.8509 -24.8509 -24.8509 -7.7172 -7.7172 -7.7167 -7.7167 -6.6237 -6.6237 -6.6213 -6.6213 -6.5616 -6.5616 -6.5592 -6.5592 -1.2438 -1.2438 -1.2293 -1.2293 4.4999 4.4999 4.5155 4.5155 5.4492 5.4492 5.4584 5.4584 5.9432 5.9432 6.0680 6.0680 6.8071 6.8071 7.0041 7.0041 7.5939 7.5939 7.6048 7.6048 8.2274 8.2274 8.5252 8.5252 8.8865 8.8865 9.0049 9.0049 9.5894 9.5894 10.1722 10.1722 12.0565 12.0565 12.0627 12.0627 13.5414 13.5414 13.6354 13.6354 k = 0.1600 0.2771 0.2368 ( 4192 PWs) bands (ev): -24.8513 -24.8513 -24.8513 -24.8513 -7.7152 -7.7152 -7.7148 -7.7148 -6.6212 -6.6212 -6.6189 -6.6189 -6.5593 -6.5593 -6.5570 -6.5570 -1.2698 -1.2698 -1.2569 -1.2569 4.5047 4.5047 4.5202 4.5202 5.4174 5.4174 5.4237 5.4237 5.9549 5.9549 6.0682 6.0682 6.8216 6.8216 6.9980 6.9980 7.5958 7.5958 7.6010 7.6010 8.3431 8.3431 8.6363 8.6363 8.8504 8.8504 8.9498 8.9498 9.6854 9.6854 10.2738 10.2738 12.1147 12.1147 12.1163 12.1163 13.4479 13.4479 13.5628 13.5628 k = 0.1533 0.2656 0.2368 ( 4188 PWs) bands (ev): -24.8518 -24.8518 -24.8517 -24.8517 -7.7132 -7.7132 -7.7128 -7.7128 -6.6188 -6.6188 -6.6166 -6.6166 -6.5568 -6.5568 -6.5547 -6.5547 -1.2958 -1.2958 -1.2843 -1.2843 4.5104 4.5104 4.5256 4.5256 5.3861 5.3861 5.3899 5.3899 5.9673 5.9673 6.0693 6.0693 6.8355 6.8355 6.9920 6.9920 7.5963 7.5963 7.5964 7.5964 8.4606 8.4606 8.7219 8.7219 8.8395 8.8395 8.8970 8.8970 9.7865 9.7865 10.3768 10.3768 12.1706 12.1706 12.1739 12.1739 13.3528 13.3528 13.4813 13.4813 k = 0.1467 0.2540 0.2368 ( 4188 PWs) bands (ev): -24.8522 -24.8522 -24.8522 -24.8522 -7.7111 -7.7111 -7.7108 -7.7108 -6.6165 -6.6165 -6.6145 -6.6145 -6.5541 -6.5541 -6.5521 -6.5521 -1.3217 -1.3217 -1.3116 -1.3116 4.5167 4.5167 4.5314 4.5314 5.3556 5.3556 5.3575 5.3575 5.9801 5.9801 6.0712 6.0712 6.8486 6.8486 6.9863 6.9863 7.5909 7.5909 7.5959 7.5959 8.5755 8.5755 8.7200 8.7200 8.8510 8.8510 8.9173 8.9173 9.8909 9.8909 10.4804 10.4804 12.2253 12.2253 12.2338 12.2338 13.2587 13.2587 13.3954 13.3954 k = 0.1400 0.2425 0.2368 ( 4196 PWs) bands (ev): -24.8526 -24.8526 -24.8526 -24.8526 -7.7092 -7.7092 -7.7089 -7.7089 -6.6144 -6.6144 -6.6126 -6.6126 -6.5512 -6.5512 -6.5494 -6.5494 -1.3473 -1.3473 -1.3384 -1.3384 4.5235 4.5235 4.5375 4.5375 5.3261 5.3261 5.3265 5.3265 5.9932 5.9932 6.0738 6.0738 6.8610 6.8610 6.9808 6.9808 7.5850 7.5850 7.5943 7.5943 8.6676 8.6676 8.6819 8.6819 8.8320 8.8320 9.0330 9.0330 9.9975 9.9975 10.5841 10.5841 12.2796 12.2796 12.2942 12.2942 13.1668 13.1668 13.3081 13.3081 k = 0.1333 0.2309 0.2368 ( 4196 PWs) bands (ev): -24.8531 -24.8531 -24.8530 -24.8530 -7.7072 -7.7072 -7.7069 -7.7069 -6.6125 -6.6125 -6.6108 -6.6108 -6.5482 -6.5482 -6.5465 -6.5465 -1.3725 -1.3725 -1.3648 -1.3648 4.5307 4.5307 4.5438 4.5438 5.2972 5.2972 5.2980 5.2980 6.0064 6.0064 6.0771 6.0771 6.8723 6.8723 6.9755 6.9755 7.5786 7.5786 7.5916 7.5916 8.6389 8.6389 8.6817 8.6817 8.8951 8.8951 9.1561 9.1561 10.1054 10.1054 10.6874 10.6874 12.3330 12.3330 12.3546 12.3546 13.0783 13.0783 13.2213 13.2213 k = 0.1267 0.2194 0.2368 ( 4188 PWs) bands (ev): -24.8535 -24.8535 -24.8535 -24.8535 -7.7053 -7.7053 -7.7051 -7.7051 -6.6107 -6.6107 -6.6092 -6.6092 -6.5449 -6.5449 -6.5434 -6.5434 -1.3973 -1.3973 -1.3907 -1.3907 4.5381 4.5381 4.5502 4.5502 5.2698 5.2698 5.2714 5.2714 6.0196 6.0196 6.0810 6.0810 6.8827 6.8827 6.9704 6.9704 7.5719 7.5719 7.5879 7.5879 8.5954 8.5954 8.6471 8.6471 9.0108 9.0108 9.2819 9.2819 10.2141 10.2141 10.7898 10.7898 12.3839 12.3839 12.4145 12.4145 12.9944 12.9944 13.1358 13.1358 k = 0.1200 0.2078 0.2368 ( 4178 PWs) bands (ev): -24.8539 -24.8539 -24.8539 -24.8539 -7.7034 -7.7034 -7.7032 -7.7032 -6.6092 -6.6092 -6.6079 -6.6079 -6.5415 -6.5415 -6.5402 -6.5402 -1.4215 -1.4215 -1.4158 -1.4158 4.5453 4.5453 4.5564 4.5564 5.2444 5.2444 5.2465 5.2465 6.0327 6.0327 6.0854 6.0854 6.8921 6.8921 6.9656 6.9656 7.5649 7.5649 7.5832 7.5832 8.5529 8.5529 8.6034 8.6034 9.1395 9.1395 9.4092 9.4092 10.3231 10.3231 10.8907 10.8907 12.4305 12.4305 12.4734 12.4734 12.9170 12.9170 13.0525 13.0525 k = 0.1133 0.1963 0.2368 ( 4182 PWs) bands (ev): -24.8543 -24.8543 -24.8543 -24.8543 -7.7016 -7.7016 -7.7014 -7.7014 -6.6078 -6.6078 -6.6067 -6.6067 -6.5380 -6.5380 -6.5369 -6.5369 -1.4450 -1.4450 -1.4402 -1.4402 4.5523 4.5523 4.5623 4.5623 5.2212 5.2212 5.2236 5.2236 6.0455 6.0455 6.0903 6.0903 6.9003 6.9003 6.9610 6.9610 7.5578 7.5578 7.5775 7.5775 8.5119 8.5119 8.5588 8.5588 9.2729 9.2729 9.5373 9.5373 10.4318 10.4318 10.9896 10.9896 12.4686 12.4686 12.5306 12.5306 12.8494 12.8494 12.9718 12.9718 k = 0.1067 0.1848 0.2368 ( 4182 PWs) bands (ev): -24.8547 -24.8547 -24.8547 -24.8547 -7.6998 -7.6998 -7.6997 -7.6997 -6.6066 -6.6066 -6.6056 -6.6056 -6.5344 -6.5344 -6.5334 -6.5334 -1.4678 -1.4678 -1.4638 -1.4638 4.5589 4.5589 4.5677 4.5677 5.2003 5.2003 5.2028 5.2028 6.0581 6.0581 6.0957 6.0957 6.9074 6.9074 6.9567 6.9567 7.5506 7.5506 7.5710 7.5710 8.4727 8.4727 8.5150 8.5150 9.4090 9.4090 9.6657 9.6657 10.5399 10.5399 11.0858 11.0858 12.4913 12.4913 12.5851 12.5851 12.7986 12.7986 12.8944 12.8944 k = 0.1000 0.1732 0.2368 ( 4170 PWs) bands (ev): -24.8551 -24.8551 -24.8551 -24.8551 -7.6982 -7.6982 -7.6981 -7.6981 -6.6056 -6.6056 -6.6048 -6.6048 -6.5307 -6.5307 -6.5299 -6.5299 -1.4896 -1.4896 -1.4863 -1.4863 4.5648 4.5648 4.5725 4.5725 5.1817 5.1817 5.1841 5.1841 6.0704 6.0704 6.1014 6.1014 6.9134 6.9134 6.9527 6.9527 7.5433 7.5433 7.5637 7.5637 8.4355 8.4355 8.4731 8.4731 9.5466 9.5466 9.7939 9.7939 10.6468 10.6468 11.1788 11.1788 12.4886 12.4886 12.6343 12.6343 12.7737 12.7737 12.8225 12.8225 k = 0.0933 0.1617 0.2368 ( 4166 PWs) bands (ev): -24.8555 -24.8555 -24.8554 -24.8554 -7.6966 -7.6966 -7.6965 -7.6965 -6.6047 -6.6047 -6.6040 -6.6040 -6.5271 -6.5271 -6.5264 -6.5264 -1.5105 -1.5105 -1.5078 -1.5078 4.5700 4.5700 4.5765 4.5765 5.1655 5.1655 5.1678 5.1678 6.0822 6.0822 6.1075 6.1075 6.9182 6.9182 6.9490 6.9490 7.5360 7.5360 7.5557 7.5557 8.4006 8.4006 8.4332 8.4332 9.6853 9.6853 9.9215 9.9215 10.7521 10.7521 11.2679 11.2679 12.4584 12.4584 12.6664 12.6664 12.7672 12.7672 12.7765 12.7765 k = 0.0867 0.1501 0.2368 ( 4172 PWs) bands (ev): -24.8558 -24.8558 -24.8558 -24.8558 -7.6951 -7.6951 -7.6950 -7.6950 -6.6040 -6.6040 -6.6034 -6.6034 -6.5235 -6.5235 -6.5230 -6.5230 -1.5304 -1.5304 -1.5282 -1.5282 4.5743 4.5743 4.5797 4.5797 5.1517 5.1517 5.1537 5.1537 6.0935 6.0935 6.1137 6.1137 6.9221 6.9221 6.9456 6.9456 7.5287 7.5287 7.5472 7.5472 8.3679 8.3679 8.3958 8.3958 9.8245 9.8245 10.0481 10.0481 10.8553 10.8553 11.3523 11.3523 12.4102 12.4102 12.6410 12.6410 12.7684 12.7684 12.7973 12.7973 k = 0.0800 0.1386 0.2368 ( 4188 PWs) bands (ev): -24.8561 -24.8561 -24.8561 -24.8561 -7.6937 -7.6937 -7.6936 -7.6936 -6.6034 -6.6034 -6.6029 -6.6029 -6.5200 -6.5200 -6.5196 -6.5196 -1.5491 -1.5491 -1.5474 -1.5474 4.5777 4.5777 4.5821 4.5821 5.1402 5.1402 5.1419 5.1419 6.1042 6.1042 6.1201 6.1201 6.9250 6.9250 6.9425 6.9425 7.5216 7.5216 7.5383 7.5383 8.3375 8.3375 8.3608 8.3608 9.9638 9.9638 10.1732 10.1732 10.9557 10.9557 11.4312 11.4312 12.3537 12.3537 12.5803 12.5803 12.8035 12.8035 12.8258 12.8258 k = 0.0733 0.1270 0.2368 ( 4184 PWs) bands (ev): -24.8565 -24.8565 -24.8565 -24.8565 -7.6924 -7.6924 -7.6923 -7.6923 -6.6028 -6.6028 -6.6025 -6.6025 -6.5166 -6.5166 -6.5162 -6.5162 -1.5666 -1.5666 -1.5653 -1.5653 4.5801 4.5801 4.5835 4.5835 5.1308 5.1308 5.1322 5.1322 6.1144 6.1144 6.1265 6.1265 6.9270 6.9270 6.9396 6.9396 7.5145 7.5145 7.5291 7.5291 8.3095 8.3095 8.3285 8.3285 10.1026 10.1026 10.2964 10.2964 11.0530 11.0530 11.5037 11.5037 12.2944 12.2944 12.5141 12.5141 12.8420 12.8420 12.8567 12.8567 k = 0.0667 0.1155 0.2368 ( 4186 PWs) bands (ev): -24.8567 -24.8567 -24.8567 -24.8567 -7.6912 -7.6912 -7.6911 -7.6911 -6.6024 -6.6024 -6.6022 -6.6022 -6.5133 -6.5133 -6.5131 -6.5131 -1.5829 -1.5829 -1.5819 -1.5819 4.5816 4.5816 4.5842 4.5842 5.1234 5.1234 5.1245 5.1245 6.1238 6.1238 6.1329 6.1329 6.9283 6.9283 6.9371 6.9371 7.5077 7.5077 7.5200 7.5200 8.2839 8.2839 8.2990 8.2990 10.2405 10.2405 10.4171 10.4171 11.1465 11.1465 11.5691 11.5691 12.2348 12.2348 12.4471 12.4471 12.8788 12.8788 12.8875 12.8875 k = 0.0600 0.1039 0.2368 ( 4182 PWs) bands (ev): -24.8570 -24.8570 -24.8570 -24.8570 -7.6901 -7.6901 -7.6900 -7.6900 -6.6021 -6.6021 -6.6019 -6.6019 -6.5103 -6.5103 -6.5101 -6.5101 -1.5978 -1.5978 -1.5970 -1.5970 4.5823 4.5823 4.5842 4.5842 5.1179 5.1179 5.1187 5.1187 6.1326 6.1326 6.1392 6.1392 6.9290 6.9290 6.9349 6.9349 7.5010 7.5010 7.5110 7.5110 8.2607 8.2607 8.2722 8.2722 10.3769 10.3769 10.5349 10.5349 11.2355 11.2355 11.6262 11.6262 12.1761 12.1761 12.3800 12.3800 12.9128 12.9128 12.9172 12.9172 k = 0.0533 0.0924 0.2368 ( 4186 PWs) bands (ev): -24.8573 -24.8573 -24.8573 -24.8573 -7.6891 -7.6891 -7.6891 -7.6891 -6.6018 -6.6018 -6.6017 -6.6017 -6.5075 -6.5075 -6.5073 -6.5073 -1.6113 -1.6113 -1.6107 -1.6107 4.5823 4.5823 4.5837 4.5837 5.1138 5.1138 5.1144 5.1144 6.1406 6.1406 6.1452 6.1452 6.9292 6.9292 6.9329 6.9329 7.4947 7.4947 7.5023 7.5023 8.2399 8.2399 8.2483 8.2483 10.5112 10.5112 10.6491 10.6491 11.3195 11.3195 11.6742 11.6742 12.1194 12.1194 12.3126 12.3126 12.9438 12.9438 12.9452 12.9452 k = 0.0467 0.0808 0.2368 ( 4194 PWs) bands (ev): -24.8575 -24.8575 -24.8575 -24.8575 -7.6882 -7.6882 -7.6882 -7.6882 -6.6016 -6.6016 -6.6015 -6.6015 -6.5049 -6.5049 -6.5048 -6.5048 -1.6233 -1.6233 -1.6230 -1.6230 4.5817 4.5817 4.5827 4.5827 5.1110 5.1110 5.1114 5.1114 6.1478 6.1478 6.1508 6.1508 6.9290 6.9290 6.9312 6.9312 7.4886 7.4886 7.4942 7.4942 8.2214 8.2214 8.2273 8.2273 10.6424 10.6424 10.7590 10.7590 11.3977 11.3977 11.7117 11.7117 12.0653 12.0653 12.2447 12.2447 12.9713 12.9713 12.9716 12.9716 k = 0.0400 0.0693 0.2368 ( 4200 PWs) bands (ev): -24.8577 -24.8577 -24.8577 -24.8577 -7.6874 -7.6874 -7.6874 -7.6874 -6.6015 -6.6015 -6.6014 -6.6014 -6.5026 -6.5026 -6.5026 -6.5026 -1.6338 -1.6338 -1.6336 -1.6336 4.5808 4.5808 4.5814 4.5814 5.1093 5.1093 5.1095 5.1095 6.1541 6.1541 6.1560 6.1560 6.9285 6.9285 6.9298 6.9298 7.4831 7.4831 7.4868 7.4868 8.2054 8.2054 8.2092 8.2092 10.7696 10.7696 10.8640 10.8640 11.4695 11.4695 11.7372 11.7372 12.0153 12.0153 12.1761 12.1761 12.9953 12.9953 12.9964 12.9964 k = 0.0333 0.0577 0.2368 ( 4204 PWs) bands (ev): -24.8578 -24.8578 -24.8578 -24.8578 -7.6868 -7.6868 -7.6868 -7.6868 -6.6013 -6.6013 -6.6013 -6.6013 -6.5006 -6.5006 -6.5006 -6.5006 -1.6428 -1.6428 -1.6427 -1.6427 4.5797 4.5797 4.5801 4.5801 5.1083 5.1083 5.1084 5.1084 6.1595 6.1595 6.1606 6.1606 6.9279 6.9279 6.9286 6.9286 7.4781 7.4781 7.4804 7.4804 8.1917 8.1917 8.1940 8.1940 10.8913 10.8913 10.9629 10.9629 11.5339 11.5339 11.7489 11.7489 11.9716 11.9716 12.1069 12.1069 13.0168 13.0168 13.0180 13.0180 k = 0.0267 0.0462 0.2368 ( 4212 PWs) bands (ev): -24.8580 -24.8580 -24.8580 -24.8580 -7.6862 -7.6862 -7.6862 -7.6862 -6.6012 -6.6012 -6.6012 -6.6012 -6.4990 -6.4990 -6.4990 -6.4990 -1.6502 -1.6502 -1.6502 -1.6502 4.5786 4.5786 4.5788 4.5788 5.1078 5.1078 5.1078 5.1078 6.1640 6.1640 6.1645 6.1645 6.9273 6.9273 6.9276 6.9276 7.4737 7.4737 7.4749 7.4749 8.1805 8.1805 8.1817 8.1817 11.0054 11.0054 11.0545 11.0545 11.5897 11.5897 11.7451 11.7451 11.9366 11.9366 12.0384 12.0384 13.0354 13.0354 13.0363 13.0363 k = 0.0200 0.0346 0.2368 ( 4212 PWs) bands (ev): -24.8581 -24.8581 -24.8581 -24.8581 -7.6858 -7.6858 -7.6858 -7.6858 -6.6012 -6.6012 -6.6012 -6.6012 -6.4977 -6.4977 -6.4977 -6.4977 -1.6560 -1.6560 -1.6560 -1.6560 4.5775 4.5775 4.5776 4.5776 5.1076 5.1076 5.1076 5.1076 6.1675 6.1675 6.1677 6.1677 6.9268 6.9268 6.9269 6.9269 7.4701 7.4701 7.4706 7.4706 8.1716 8.1716 8.1721 8.1721 11.1084 11.1084 11.1366 11.1366 11.6350 11.6350 11.7275 11.7275 11.9112 11.9112 11.9735 11.9735 13.0506 13.0506 13.0511 13.0511 k = 0.0133 0.0231 0.2368 ( 4212 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6855 -7.6855 -7.6855 -7.6855 -6.6011 -6.6011 -6.6011 -6.6011 -6.4968 -6.4968 -6.4968 -6.4968 -1.6602 -1.6602 -1.6602 -1.6602 4.5767 4.5767 4.5767 4.5767 5.1076 5.1076 5.1076 5.1076 6.1700 6.1700 6.1700 6.1700 6.9263 6.9263 6.9264 6.9264 7.4674 7.4674 7.4676 7.4676 8.1653 8.1653 8.1654 8.1654 11.1943 11.1943 11.2057 11.2057 11.6661 11.6661 11.7037 11.7037 11.8927 11.8927 11.9183 11.9183 13.0619 13.0619 13.0620 13.0620 k = 0.0067 0.0115 0.2368 ( 4216 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6853 -7.6853 -7.6853 -7.6853 -6.6011 -6.6011 -6.6011 -6.6011 -6.4962 -6.4962 -6.4962 -6.4962 -1.6627 -1.6627 -1.6627 -1.6627 4.5761 4.5761 4.5761 4.5761 5.1077 5.1077 5.1077 5.1077 6.1715 6.1715 6.1715 6.1715 6.9261 6.9261 6.9261 6.9261 7.4657 7.4657 7.4657 7.4657 8.1614 8.1614 8.1614 8.1614 11.2533 11.2533 11.2551 11.2551 11.6791 11.6791 11.6850 11.6850 11.8791 11.8791 11.8831 11.8831 13.0688 13.0688 13.0688 13.0688 k = 0.0000 0.0000 0.2368 ( 4234 PWs) bands (ev): -24.8582 -24.8582 -24.8582 -24.8582 -7.6853 -7.6853 -7.6853 -7.6853 -6.6011 -6.6011 -6.6011 -6.6011 -6.4960 -6.4960 -6.4960 -6.4960 -1.6635 -1.6635 -1.6635 -1.6635 4.5760 4.5760 4.5760 4.5760 5.1077 5.1077 5.1077 5.1077 6.1720 6.1720 6.1720 6.1720 6.9260 6.9260 6.9260 6.9260 7.4651 7.4651 7.4651 7.4651 8.1601 8.1601 8.1601 8.1601 11.2742 11.2742 11.2742 11.2742 11.6794 11.6794 11.6794 11.6794 11.8728 11.8728 11.8728 11.8728 13.0711 13.0711 13.0711 13.0711 k = 0.5000 0.2887 0.2368 ( 4184 PWs) bands (ev): -24.8465 -24.8465 -24.8465 -24.8465 -7.7402 -7.7402 -7.7402 -7.7402 -6.6693 -6.6693 -6.6693 -6.6693 -6.5569 -6.5569 -6.5569 -6.5569 -0.9440 -0.9440 -0.9440 -0.9440 4.5159 4.5159 4.5159 4.5159 5.7106 5.7106 5.7106 5.7106 5.9813 5.9813 5.9813 5.9813 6.9009 6.9009 6.9009 6.9009 7.1997 7.1997 7.1997 7.1997 7.6500 7.6500 7.6500 7.6500 8.9434 8.9434 8.9434 8.9434 9.8051 9.8051 9.8051 9.8051 11.2638 11.2638 11.2638 11.2638 13.4061 13.4061 13.4061 13.4061 k = 0.5000 0.2887 0.2236 ( 4192 PWs) bands (ev): -24.8466 -24.8466 -24.8464 -24.8464 -7.7405 -7.7405 -7.7399 -7.7399 -6.6699 -6.6699 -6.6688 -6.6688 -6.5588 -6.5588 -6.5549 -6.5549 -0.9521 -0.9521 -0.9359 -0.9359 4.4914 4.4914 4.5407 4.5407 5.7009 5.7009 5.7199 5.7199 5.9722 5.9722 5.9910 5.9910 6.8934 6.8934 6.9084 6.9084 7.1881 7.1881 7.2112 7.2112 7.6421 7.6421 7.6577 7.6577 8.9187 8.9187 8.9681 8.9681 9.7970 9.7970 9.8123 9.8123 11.1981 11.1981 11.3325 11.3325 13.3730 13.3730 13.4435 13.4435 k = 0.5000 0.2887 0.2105 ( 4192 PWs) bands (ev): -24.8467 -24.8467 -24.8462 -24.8462 -7.7409 -7.7409 -7.7396 -7.7396 -6.6704 -6.6704 -6.6684 -6.6684 -6.5607 -6.5607 -6.5528 -6.5528 -0.9602 -0.9602 -0.9278 -0.9278 4.4673 4.4673 4.5657 4.5657 5.6907 5.6907 5.7286 5.7286 5.9638 5.9638 6.0012 6.0012 6.8860 6.8860 6.9157 6.9157 7.1765 7.1765 7.2227 7.2227 7.6341 7.6341 7.6653 7.6653 8.8942 8.8942 8.9925 8.9925 9.7883 9.7883 9.8186 9.8186 11.1358 11.1358 11.4036 11.4036 13.3447 13.3447 13.4848 13.4848 k = 0.5000 0.2887 0.1973 ( 4192 PWs) bands (ev): -24.8469 -24.8469 -24.8461 -24.8461 -7.7412 -7.7412 -7.7394 -7.7394 -6.6710 -6.6710 -6.6680 -6.6680 -6.5624 -6.5624 -6.5507 -6.5507 -0.9681 -0.9681 -0.9198 -0.9198 4.4439 4.4439 4.5907 4.5907 5.6803 5.6803 5.7368 5.7368 5.9559 5.9559 6.0118 6.0118 6.8785 6.8785 6.9229 6.9229 7.1651 7.1651 7.2340 7.2340 7.6260 7.6260 7.6727 7.6727 8.8699 8.8699 9.0164 9.0164 9.7791 9.7791 9.8236 9.8236 11.0775 11.0775 11.4763 11.4763 13.3217 13.3217 13.5297 13.5297 k = 0.5000 0.2887 0.1841 ( 4192 PWs) bands (ev): -24.8470 -24.8470 -24.8460 -24.8460 -7.7415 -7.7415 -7.7391 -7.7391 -6.6717 -6.6717 -6.6676 -6.6676 -6.5641 -6.5641 -6.5487 -6.5487 -0.9758 -0.9758 -0.9120 -0.9120 4.4213 4.4213 4.6155 4.6155 5.6696 5.6696 5.7444 5.7444 5.9487 5.9487 6.0228 6.0228 6.8711 6.8711 6.9300 6.9300 7.1539 7.1539 7.2451 7.2451 7.6178 7.6178 7.6798 7.6798 8.8461 8.8461 9.0397 9.0397 9.7698 9.7698 9.8272 9.8272 11.0234 11.0234 11.5499 11.5499 13.3044 13.3044 13.5778 13.5778 k = 0.5000 0.2887 0.1710 ( 4188 PWs) bands (ev): -24.8471 -24.8471 -24.8459 -24.8459 -7.7418 -7.7418 -7.7389 -7.7389 -6.6723 -6.6723 -6.6674 -6.6674 -6.5656 -6.5656 -6.5466 -6.5466 -0.9833 -0.9833 -0.9044 -0.9044 4.3996 4.3996 4.6399 4.6399 5.6589 5.6589 5.7514 5.7514 5.9420 5.9420 6.0342 6.0342 6.8638 6.8638 6.9369 6.9369 7.1428 7.1428 7.2559 7.2559 7.6096 7.6096 7.6868 7.6868 8.8230 8.8230 9.0622 9.0622 9.7605 9.7605 9.8294 9.8294 10.9737 10.9737 11.6234 11.6234 13.2935 13.2935 13.6286 13.6286 k = 0.5000 0.2887 0.1578 ( 4192 PWs) bands (ev): -24.8472 -24.8472 -24.8458 -24.8458 -7.7421 -7.7421 -7.7386 -7.7386 -6.6729 -6.6729 -6.6671 -6.6671 -6.5670 -6.5670 -6.5446 -6.5446 -0.9904 -0.9904 -0.8971 -0.8971 4.3790 4.3790 4.6637 4.6637 5.6481 5.6481 5.7578 5.7578 5.9359 5.9359 6.0456 6.0456 6.8567 6.8567 6.9435 6.9435 7.1322 7.1322 7.2665 7.2665 7.6014 7.6014 7.6935 7.6935 8.8007 8.8007 9.0837 9.0837 9.7514 9.7514 9.8301 9.8301 10.9288 10.9288 11.6959 11.6959 13.2897 13.2897 13.6818 13.6818 k = 0.5000 0.2887 0.1447 ( 4196 PWs) bands (ev): -24.8473 -24.8473 -24.8457 -24.8457 -7.7425 -7.7425 -7.7384 -7.7384 -6.6736 -6.6736 -6.6670 -6.6670 -6.5683 -6.5683 -6.5426 -6.5426 -0.9972 -0.9972 -0.8902 -0.8902 4.3595 4.3595 4.6867 4.6867 5.6374 5.6374 5.7637 5.7637 5.9305 5.9305 6.0571 6.0571 6.8498 6.8498 6.9498 6.9498 7.1219 7.1219 7.2766 7.2766 7.5933 7.5933 7.6999 7.6999 8.7795 8.7795 9.1040 9.1040 9.7427 9.7427 9.8293 9.8293 10.8886 10.8886 11.7662 11.7662 13.2936 13.2936 13.7367 13.7367 k = 0.5000 0.2887 0.1315 ( 4196 PWs) bands (ev): -24.8474 -24.8474 -24.8456 -24.8456 -7.7427 -7.7427 -7.7382 -7.7382 -6.6742 -6.6742 -6.6669 -6.6669 -6.5694 -6.5694 -6.5407 -6.5407 -1.0036 -1.0036 -0.8836 -0.8836 4.3414 4.3414 4.7088 4.7088 5.6270 5.6270 5.7689 5.7689 5.9255 5.9255 6.0685 6.0685 6.8431 6.8431 6.9559 6.9559 7.1121 7.1121 7.2863 7.2863 7.5854 7.5854 7.7059 7.7059 8.7594 8.7594 9.1230 9.1230 9.7345 9.7345 9.8273 9.8273 10.8530 10.8530 11.8332 11.8332 13.3062 13.3062 13.7929 13.7929 k = 0.5000 0.2887 0.1184 ( 4196 PWs) bands (ev): -24.8475 -24.8475 -24.8455 -24.8455 -7.7430 -7.7430 -7.7381 -7.7381 -6.6748 -6.6748 -6.6668 -6.6668 -6.5705 -6.5705 -6.5390 -6.5390 -1.0095 -1.0095 -0.8775 -0.8775 4.3246 4.3246 4.7296 4.7296 5.6169 5.6169 5.7736 5.7736 5.9211 5.9211 6.0795 6.0795 6.8368 6.8368 6.9615 6.9615 7.1028 7.1028 7.2955 7.2955 7.5776 7.5776 7.7117 7.7117 8.7406 8.7406 9.1404 9.1404 9.7270 9.7270 9.8240 9.8240 10.8220 10.8220 11.8957 11.8957 13.3280 13.3280 13.8494 13.8494 k = 0.5000 0.2887 0.1052 ( 4186 PWs) bands (ev): -24.8476 -24.8476 -24.8454 -24.8454 -7.7433 -7.7433 -7.7379 -7.7379 -6.6753 -6.6753 -6.6668 -6.6668 -6.5714 -6.5714 -6.5373 -6.5373 -1.0149 -1.0149 -0.8720 -0.8720 4.3094 4.3094 4.7490 4.7490 5.6074 5.6074 5.7777 5.7777 5.9172 5.9172 6.0900 6.0900 6.8309 6.8309 6.9667 6.9667 7.0943 7.0943 7.3041 7.3041 7.5702 7.5702 7.7170 7.7170 8.7234 8.7234 9.1563 9.1563 9.7202 9.7202 9.8199 9.8199 10.7954 10.7954 11.9526 11.9526 13.3597 13.3597 13.9055 13.9055 k = 0.5000 0.2887 0.0921 ( 4186 PWs) bands (ev): -24.8477 -24.8477 -24.8453 -24.8453 -7.7435 -7.7435 -7.7378 -7.7378 -6.6758 -6.6758 -6.6668 -6.6668 -6.5721 -6.5721 -6.5358 -6.5358 -1.0198 -1.0198 -0.8669 -0.8669 4.2957 4.2957 4.7668 4.7668 5.5985 5.5985 5.7813 5.7813 5.9137 5.9137 6.0999 6.0999 6.8254 6.8254 6.9715 6.9715 7.0864 7.0864 7.3120 7.3120 7.5632 7.5632 7.7219 7.7219 8.7077 8.7077 9.1705 9.1705 9.7142 9.7142 9.8152 9.8152 10.7729 10.7729 12.0033 12.0033 13.4015 13.4015 13.9600 13.9600 k = 0.5000 0.2887 0.0789 ( 4190 PWs) bands (ev): -24.8477 -24.8477 -24.8452 -24.8452 -7.7437 -7.7437 -7.7377 -7.7377 -6.6762 -6.6762 -6.6668 -6.6668 -6.5728 -6.5728 -6.5345 -6.5345 -1.0241 -1.0241 -0.8625 -0.8625 4.2837 4.2837 4.7828 4.7828 5.5905 5.5905 5.7844 5.7844 5.9108 5.9108 6.1089 6.1089 6.8204 6.8204 6.9758 6.9758 7.0794 7.0794 7.3192 7.3192 7.5567 7.5567 7.7262 7.7262 8.6939 8.6939 9.1829 9.1829 9.7090 9.7090 9.8102 9.8102 10.7542 10.7542 12.0470 12.0470 13.4535 13.4535 14.0117 14.0117 k = 0.5000 0.2887 0.0658 ( 4196 PWs) bands (ev): -24.8478 -24.8478 -24.8452 -24.8452 -7.7439 -7.7439 -7.7376 -7.7376 -6.6766 -6.6766 -6.6669 -6.6669 -6.5733 -6.5733 -6.5334 -6.5334 -1.0278 -1.0278 -0.8586 -0.8586 4.2734 4.2734 4.7967 4.7967 5.5833 5.5833 5.7870 5.7870 5.9083 5.9083 6.1169 6.1169 6.8160 6.8160 6.9795 6.9795 7.0733 7.0733 7.3256 7.3256 7.5509 7.5509 7.7300 7.7300 8.6819 8.6819 9.1934 9.1934 9.7047 9.7047 9.8053 9.8053 10.7391 10.7391 12.0834 12.0834 13.5151 13.5151 14.0590 14.0590 k = 0.5000 0.2887 0.0526 ( 4192 PWs) bands (ev): -24.8478 -24.8478 -24.8451 -24.8451 -7.7441 -7.7441 -7.7375 -7.7375 -6.6770 -6.6770 -6.6669 -6.6669 -6.5737 -6.5737 -6.5324 -6.5324 -1.0309 -1.0309 -0.8555 -0.8555 4.2649 4.2649 4.8085 4.8085 5.5772 5.5772 5.7891 5.7891 5.9062 5.9062 6.1237 6.1237 6.8123 6.8123 6.9826 6.9826 7.0682 7.0682 7.3310 7.3310 7.5459 7.5459 7.7332 7.7332 8.6720 8.6720 9.2020 9.2020 9.7012 9.7012 9.8008 9.8008 10.7271 10.7271 12.1127 12.1127 13.5856 13.5856 14.0997 14.0997 k = 0.5000 0.2887 0.0395 ( 4196 PWs) bands (ev): -24.8479 -24.8479 -24.8451 -24.8451 -7.7442 -7.7442 -7.7374 -7.7374 -6.6772 -6.6772 -6.6669 -6.6669 -6.5741 -6.5741 -6.5316 -6.5316 -1.0333 -1.0333 -0.8530 -0.8530 4.2583 4.2583 4.8178 4.8178 5.5724 5.5724 5.7907 5.7907 5.9046 5.9046 6.1292 6.1292 6.8094 6.8094 6.9851 6.9851 7.0642 7.0642 7.3354 7.3354 7.5418 7.5418 7.7358 7.7358 8.6641 8.6641 9.2087 9.2087 9.6986 9.6986 9.7969 9.7969 10.7182 10.7182 12.1349 12.1349 13.6634 13.6634 14.1301 14.1301 k = 0.5000 0.2887 0.0263 ( 4192 PWs) bands (ev): -24.8479 -24.8479 -24.8451 -24.8451 -7.7443 -7.7443 -7.7374 -7.7374 -6.6774 -6.6774 -6.6670 -6.6670 -6.5743 -6.5743 -6.5311 -6.5311 -1.0350 -1.0350 -0.8511 -0.8511 4.2535 4.2535 4.8245 4.8245 5.5688 5.5688 5.7919 5.7919 5.9035 5.9035 6.1331 6.1331 6.8072 6.8072 6.9869 6.9869 7.0612 7.0612 7.3386 7.3386 7.5387 7.5387 7.7376 7.7376 8.6585 8.6585 9.2135 9.2135 9.6967 9.6967 9.7940 9.7940 10.7119 10.7119 12.1505 12.1505 13.7460 13.7460 14.1317 14.1317 k = 0.5000 0.2887 0.0132 ( 4196 PWs) bands (ev): -24.8479 -24.8479 -24.8451 -24.8451 -7.7444 -7.7444 -7.7373 -7.7373 -6.6775 -6.6775 -6.6670 -6.6670 -6.5744 -6.5744 -6.5308 -6.5308 -1.0360 -1.0360 -0.8501 -0.8501 4.2506 4.2506 4.8286 4.8286 5.5666 5.5666 5.7926 5.7926 5.9028 5.9028 6.1356 6.1356 6.8059 6.8059 6.9880 6.9880 7.0594 7.0594 7.3406 7.3406 7.5369 7.5369 7.7387 7.7387 8.6550 8.6550 9.2164 9.2164 9.6956 9.6956 9.7921 9.7921 10.7082 10.7082 12.1597 12.1597 13.8270 13.8270 14.0699 14.0699 k = 0.5000 0.2887-0.0000 ( 4210 PWs) bands (ev): -24.8479 -24.8479 -24.8450 -24.8450 -7.7444 -7.7444 -7.7373 -7.7373 -6.6775 -6.6775 -6.6670 -6.6670 -6.5745 -6.5745 -6.5306 -6.5306 -1.0364 -1.0364 -0.8497 -0.8497 4.2496 4.2496 4.8300 4.8300 5.5659 5.5659 5.7928 5.7928 5.9026 5.9026 6.1364 6.1364 6.8055 6.8055 6.9884 6.9884 7.0588 7.0588 7.3412 7.3412 7.5362 7.5362 7.7391 7.7391 8.6539 8.6539 9.2174 9.2174 9.6952 9.6952 9.7915 9.7915 10.7070 10.7070 12.1627 12.1627 13.8737 13.8737 14.0235 14.0235 k = 0.3333 0.5774-0.0000 ( 4164 PWs) bands (ev): -24.8464 -24.8464 -24.8436 -24.8436 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6378 -6.6378 -6.6201 -6.6201 -6.5612 -6.5612 -0.8653 -0.8653 -0.8117 -0.8117 4.5728 4.5728 4.6410 4.6410 5.6930 5.6930 5.7471 5.7471 6.2740 6.2740 6.3624 6.3624 6.4477 6.4477 6.8485 6.8485 6.8824 6.8824 7.3014 7.3014 7.3992 7.3992 7.6361 7.6361 7.8591 7.8591 8.3724 8.3724 9.8154 9.8154 10.0090 10.0090 11.8493 11.8493 11.8902 11.8902 13.6546 13.6546 13.6916 13.6916 k = 0.3333 0.5774 0.0132 ( 4173 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7473 -7.7473 -7.7417 -7.7417 -6.6736 -6.6736 -6.6379 -6.6379 -6.6200 -6.6200 -6.5613 -6.5613 -0.8653 -0.8653 -0.8117 -0.8117 4.5728 4.5728 4.6410 4.6410 5.6931 5.6931 5.7471 5.7471 6.2746 6.2746 6.3623 6.3623 6.4479 6.4479 6.8486 6.8486 6.8824 6.8824 7.2995 7.2995 7.3991 7.3991 7.6367 7.6367 7.8592 7.8592 8.3723 8.3723 9.8171 9.8171 10.0108 10.0108 11.8449 11.8449 11.8855 11.8855 13.6594 13.6594 13.6965 13.6965 k = 0.3333 0.5774 0.0263 ( 4176 PWs) bands (ev): -24.8464 -24.8464 -24.8437 -24.8437 -7.7473 -7.7473 -7.7417 -7.7417 -6.6734 -6.6734 -6.6381 -6.6381 -6.6196 -6.6196 -6.5617 -6.5617 -0.8653 -0.8653 -0.8117 -0.8117 4.5727 4.5727 4.6409 4.6409 5.6934 5.6934 5.7472 5.7472 6.2763 6.2763 6.3619 6.3619 6.4485 6.4485 6.8490 6.8490 6.8826 6.8826 7.2938 7.2938 7.3988 7.3988 7.6384 7.6384 7.8592 7.8592 8.3721 8.3721 9.8222 9.8222 10.0162 10.0162 11.8319 11.8319 11.8716 11.8716 13.6739 13.6739 13.7108 13.7108 k = 0.3333 0.5774 0.0395 ( 4170 PWs) bands (ev): -24.8463 -24.8463 -24.8437 -24.8437 -7.7472 -7.7472 -7.7418 -7.7418 -6.6730 -6.6730 -6.6384 -6.6384 -6.6191 -6.6191 -6.5623 -6.5623 -0.8653 -0.8653 -0.8116 -0.8116 4.5724 4.5724 4.6408 4.6408 5.6939 5.6939 5.7472 5.7472 6.2792 6.2792 6.3614 6.3614 6.4495 6.4495 6.8496 6.8496 6.8829 6.8829 7.2846 7.2846 7.3983 7.3983 7.6411 7.6411 7.8593 7.8593 8.3718 8.3718 9.8306 9.8306 10.0251 10.0251 11.8110 11.8110 11.8490 11.8490 13.6973 13.6973 13.7340 13.7340 k = 0.3333 0.5774 0.0526 ( 4173 PWs) bands (ev): -24.8463 -24.8463 -24.8437 -24.8437 -7.7471 -7.7471 -7.7418 -7.7418 -6.6726 -6.6726 -6.6389 -6.6389 -6.6184 -6.6184 -6.5631 -6.5631 -0.8652 -0.8652 -0.8116 -0.8116 4.5721 4.5721 4.6407 4.6407 5.6945 5.6945 5.7473 5.7473 6.2830 6.2830 6.3608 6.3608 6.4509 6.4509 6.8506 6.8506 6.8833 6.8833 7.2722 7.2722 7.3976 7.3976 7.6445 7.6445 7.8594 7.8594 8.3713 8.3713 9.8422 9.8422 10.0375 10.0375 11.7829 11.7829 11.8187 11.8187 13.7291 13.7291 13.7655 13.7655 k = 0.3333 0.5774 0.0658 ( 4191 PWs) bands (ev): -24.8463 -24.8463 -24.8438 -24.8438 -7.7470 -7.7470 -7.7419 -7.7419 -6.6720 -6.6720 -6.6395 -6.6395 -6.6175 -6.6175 -6.5641 -6.5641 -0.8652 -0.8652 -0.8116 -0.8116 4.5717 4.5717 4.6405 4.6405 5.6954 5.6954 5.7474 5.7474 6.2875 6.2875 6.3605 6.3605 6.4524 6.4524 6.8518 6.8518 6.8838 6.8838 7.2568 7.2568 7.3967 7.3967 7.6486 7.6486 7.8595 7.8595 8.3708 8.3708 9.8567 9.8567 10.0531 10.0531 11.7487 11.7487 11.7818 11.7818 13.7683 13.7683 13.8041 13.8041 k = 0.3333 0.5774 0.0789 ( 4197 PWs) bands (ev): -24.8462 -24.8462 -24.8438 -24.8438 -7.7469 -7.7469 -7.7419 -7.7419 -6.6712 -6.6712 -6.6402 -6.6402 -6.6163 -6.6163 -6.5654 -6.5654 -0.8651 -0.8651 -0.8115 -0.8115 4.5713 4.5713 4.6403 4.6403 5.6963 5.6963 5.7476 5.7476 6.2925 6.2925 6.3606 6.3606 6.4541 6.4541 6.8534 6.8534 6.8845 6.8845 7.2390 7.2390 7.3957 7.3957 7.6529 7.6529 7.8596 7.8596 8.3702 8.3702 9.8739 9.8739 10.0717 10.0717 11.7097 11.7097 11.7395 11.7395 13.8140 13.8140 13.8490 13.8490 k = 0.3333 0.5774 0.0921 ( 4194 PWs) bands (ev): -24.8461 -24.8461 -24.8439 -24.8439 -7.7467 -7.7467 -7.7420 -7.7420 -6.6704 -6.6704 -6.6410 -6.6410 -6.6150 -6.6150 -6.5668 -6.5668 -0.8651 -0.8651 -0.8115 -0.8115 4.5708 4.5708 4.6401 4.6401 5.6973 5.6973 5.7477 5.7477 6.2975 6.2975 6.3617 6.3617 6.4559 6.4559 6.8554 6.8554 6.8854 6.8854 7.2190 7.2190 7.3946 7.3946 7.6575 7.6575 7.8598 7.8598 8.3695 8.3695 9.8935 9.8935 10.0931 10.0931 11.6670 11.6670 11.6930 11.6930 13.8651 13.8651 13.8990 13.8990 k = 0.3333 0.5774 0.1052 ( 4185 PWs) bands (ev): -24.8461 -24.8461 -24.8440 -24.8440 -7.7466 -7.7466 -7.7421 -7.7421 -6.6695 -6.6695 -6.6420 -6.6420 -6.6135 -6.6135 -6.5684 -6.5684 -0.8650 -0.8650 -0.8115 -0.8115 4.5703 4.5703 4.6399 4.6399 5.6984 5.6984 5.7478 5.7478 6.3020 6.3020 6.3639 6.3639 6.4576 6.4576 6.8578 6.8578 6.8865 6.8865 7.1974 7.1974 7.3934 7.3934 7.6619 7.6619 7.8599 7.8599 8.3687 8.3687 9.9150 9.9150 10.1169 10.1169 11.6219 11.6219 11.6437 11.6437 13.9208 13.9208 13.9534 13.9534 k = 0.3333 0.5774 0.1184 ( 4188 PWs) bands (ev): -24.8460 -24.8460 -24.8440 -24.8440 -7.7464 -7.7464 -7.7422 -7.7422 -6.6684 -6.6684 -6.6431 -6.6431 -6.6119 -6.6119 -6.5703 -6.5703 -0.8649 -0.8649 -0.8114 -0.8114 4.5698 4.5698 4.6396 4.6396 5.6994 5.6994 5.7480 5.7480 6.3057 6.3057 6.3677 6.3677 6.4593 6.4593 6.8606 6.8606 6.8881 6.8881 7.1745 7.1745 7.3922 7.3922 7.6662 7.6662 7.8600 7.8600 8.3680 8.3680 9.9380 9.9380 10.1427 10.1427 11.5757 11.5757 11.5927 11.5927 13.9803 13.9803 14.0111 14.0111 k = 0.3333 0.5774 0.1315 ( 4194 PWs) bands (ev): -24.8459 -24.8459 -24.8441 -24.8441 -7.7462 -7.7462 -7.7423 -7.7423 -6.6673 -6.6673 -6.6442 -6.6442 -6.6101 -6.6101 -6.5722 -6.5722 -0.8648 -0.8648 -0.8114 -0.8114 4.5692 4.5692 4.6394 4.6394 5.7005 5.7005 5.7481 5.7481 6.3083 6.3083 6.3731 6.3731 6.4607 6.4607 6.8636 6.8636 6.8903 6.8903 7.1506 7.1506 7.3910 7.3910 7.6703 7.6703 7.8601 7.8601 8.3672 8.3672 9.9620 9.9620 10.1699 10.1699 11.5295 11.5295 11.5414 11.5414 14.0428 14.0428 14.0715 14.0715 k = 0.3333 0.5774 0.1447 ( 4194 PWs) bands (ev): -24.8458 -24.8458 -24.8442 -24.8442 -7.7460 -7.7460 -7.7425 -7.7425 -6.6661 -6.6661 -6.6455 -6.6455 -6.6081 -6.6081 -6.5743 -6.5743 -0.8648 -0.8648 -0.8113 -0.8113 4.5687 4.5687 4.6392 4.6392 5.7015 5.7015 5.7483 5.7483 6.3099 6.3099 6.3798 6.3798 6.4620 6.4620 6.8668 6.8668 6.8934 6.8934 7.1263 7.1263 7.3898 7.3898 7.6740 7.6740 7.8601 7.8601 8.3665 8.3665 9.9862 9.9862 10.1978 10.1978 11.4846 11.4846 11.4909 11.4909 14.1077 14.1077 14.1337 14.1337 k = 0.3333 0.5774 0.1578 ( 4185 PWs) bands (ev): -24.8457 -24.8457 -24.8443 -24.8443 -7.7458 -7.7458 -7.7426 -7.7426 -6.6648 -6.6648 -6.6468 -6.6468 -6.6060 -6.6060 -6.5766 -6.5766 -0.8647 -0.8647 -0.8113 -0.8113 4.5682 4.5682 4.6390 4.6390 5.7024 5.7024 5.7484 5.7484 6.3106 6.3106 6.3873 6.3873 6.4630 6.4630 6.8697 6.8697 6.8979 6.8979 7.1017 7.1017 7.3888 7.3888 7.6773 7.6773 7.8602 7.8602 8.3658 8.3658 10.0099 10.0099 10.2256 10.2256 11.4422 11.4422 11.4426 11.4426 14.1744 14.1744 14.1971 14.1971 k = 0.3333 0.5774 0.1710 ( 4188 PWs) bands (ev): -24.8456 -24.8456 -24.8444 -24.8444 -7.7456 -7.7456 -7.7427 -7.7427 -6.6634 -6.6634 -6.6482 -6.6482 -6.6038 -6.6038 -6.5789 -6.5789 -0.8646 -0.8646 -0.8112 -0.8112 4.5678 4.5678 4.6388 4.6388 5.7033 5.7033 5.7485 5.7485 6.3108 6.3108 6.3950 6.3950 6.4637 6.4637 6.8721 6.8721 6.9042 6.9042 7.0774 7.0774 7.3878 7.3878 7.6801 7.6801 7.8602 7.8602 8.3652 8.3652 10.0323 10.0323 10.2524 10.2524 11.3979 11.3979 11.4034 11.4034 14.2423 14.2423 14.2606 14.2606 k = 0.3333 0.5774 0.1841 ( 4182 PWs) bands (ev): -24.8455 -24.8455 -24.8445 -24.8445 -7.7454 -7.7454 -7.7429 -7.7429 -6.6620 -6.6620 -6.6496 -6.6496 -6.6015 -6.6015 -6.5813 -6.5813 -0.8646 -0.8646 -0.8112 -0.8112 4.5674 4.5674 4.6386 4.6386 5.7040 5.7040 5.7486 5.7486 6.3107 6.3107 6.4024 6.4024 6.4641 6.4641 6.8740 6.8740 6.9125 6.9125 7.0536 7.0536 7.3870 7.3870 7.6825 7.6825 7.8602 7.8602 8.3647 8.3647 10.0524 10.0524 10.2770 10.2770 11.3582 11.3582 11.3695 11.3695 14.3106 14.3106 14.3231 14.3231 k = 0.3333 0.5774 0.1973 ( 4182 PWs) bands (ev): -24.8454 -24.8454 -24.8447 -24.8447 -7.7452 -7.7452 -7.7430 -7.7430 -6.6605 -6.6605 -6.6511 -6.6511 -6.5991 -6.5991 -6.5838 -6.5838 -0.8645 -0.8645 -0.8112 -0.8112 4.5671 4.5671 4.6384 4.6384 5.7046 5.7046 5.7487 5.7487 6.3104 6.3104 6.4089 6.4089 6.4642 6.4642 6.8753 6.8753 6.9228 6.9228 7.0309 7.0309 7.3863 7.3863 7.6844 7.6844 7.8602 7.8602 8.3642 8.3642 10.0694 10.0694 10.2982 10.2982 11.3252 11.3252 11.3416 11.3416 14.3778 14.3778 14.3826 14.3826 k = 0.3333 0.5774 0.2105 ( 4188 PWs) bands (ev): -24.8453 -24.8453 -24.8448 -24.8448 -7.7451 -7.7451 -7.7431 -7.7431 -6.6590 -6.6590 -6.6526 -6.6526 -6.5967 -6.5967 -6.5863 -6.5863 -0.8645 -0.8645 -0.8111 -0.8111 4.5669 4.5669 4.6383 4.6383 5.7050 5.7050 5.7488 5.7488 6.3101 6.3101 6.4141 6.4141 6.4642 6.4642 6.8761 6.8761 6.9350 6.9350 7.0096 7.0096 7.3858 7.3858 7.6857 7.6857 7.8602 7.8602 8.3639 8.3639 10.0823 10.0823 10.3145 10.3145 11.3001 11.3001 11.3208 11.3208 14.4352 14.4352 14.4411 14.4411 k = 0.3333 0.5774 0.2236 ( 4188 PWs) bands (ev): -24.8451 -24.8451 -24.8449 -24.8449 -7.7450 -7.7450 -7.7432 -7.7432 -6.6576 -6.6576 -6.6540 -6.6540 -6.5943 -6.5943 -6.5887 -6.5887 -0.8645 -0.8645 -0.8111 -0.8111 4.5668 4.5668 4.6383 4.6383 5.7052 5.7052 5.7488 5.7488 6.3100 6.3100 6.4174 6.4174 6.4641 6.4641 6.8766 6.8766 6.9483 6.9483 6.9908 6.9908 7.3855 7.3855 7.6865 7.6865 7.8602 7.8602 8.3637 8.3637 10.0903 10.0903 10.3249 10.3249 11.2845 11.2845 11.3079 11.3079 14.4740 14.4740 14.4929 14.4929 k = 0.3333 0.5774 0.2368 ( 4194 PWs) bands (ev): -24.8450 -24.8450 -24.8450 -24.8450 -7.7449 -7.7449 -7.7432 -7.7432 -6.6566 -6.6566 -6.6550 -6.6550 -6.5926 -6.5926 -6.5904 -6.5904 -0.8645 -0.8645 -0.8111 -0.8111 4.5667 4.5667 4.6383 4.6383 5.7053 5.7053 5.7488 5.7488 6.3099 6.3099 6.4185 6.4185 6.4640 6.4640 6.8767 6.8767 6.9571 6.9571 6.9802 6.9802 7.3854 7.3854 7.6868 7.6868 7.8602 7.8602 8.3637 8.3637 10.0931 10.0931 10.3285 10.3285 11.2792 11.2792 11.3036 11.3036 14.4889 14.4889 14.5153 14.5153 Writing output data file SrAsPt.save init_run : 0.43s CPU 0.61s WALL ( 1 calls) electrons : 221.15s CPU 224.50s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 221.14s CPU 224.49s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.19s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.06s WALL ( 299 calls) cegterg : 206.20s CPU 209.00s WALL ( 637 calls) Called by sum_band: Called by *egterg: h_psi : 100.00s CPU 102.11s WALL ( 10688 calls) s_psi : 8.16s CPU 8.31s WALL ( 10688 calls) g_psi : 0.34s CPU 0.33s WALL ( 9752 calls) cdiaghg : 82.80s CPU 83.17s WALL ( 10051 calls) cegterg:over : 9.23s CPU 9.42s WALL ( 9752 calls) cegterg:upda : 8.24s CPU 8.47s WALL ( 9752 calls) cegterg:last : 4.19s CPU 4.26s WALL ( 1534 calls) cdiaghg:chol : 4.88s CPU 4.71s WALL ( 10051 calls) cdiaghg:inve : 2.98s CPU 3.12s WALL ( 10051 calls) cdiaghg:para : 4.78s CPU 5.12s WALL ( 20102 calls) Called by h_psi: h_psi:vloc : 80.86s CPU 82.72s WALL ( 10688 calls) h_psi:vnl : 18.86s CPU 19.07s WALL ( 10688 calls) add_vuspsi : 9.79s CPU 9.87s WALL ( 10688 calls) General routines calbec : 9.03s CPU 9.17s WALL ( 10688 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 71.70s CPU 73.38s WALL ( 1115652 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.23s WALL ( 598 calls) Parallel routines fft_scatter : 27.66s CPU 28.69s WALL ( 1115675 calls) PWSCF : 3m58.38s CPU 4m10.40s WALL This run was terminated on: 13:25: 2 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=