Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 12:59: 2 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: ./SrCuAs.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 22 6 1798 1046 162 Max 33 23 7 1811 1065 171 Sum 1177 823 241 64919 38043 6037 bravais-lattice index = 14 lattice parameter (alat) = 8.0748 a.u. unit-cell volume = 901.8876 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.074799 celldm(2)= 1.000000 celldm(3)= 1.978001 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.978001 ) 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 0.505561 ) 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 Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for 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) Cu 11.00 63.54600 Cu( 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 ) ( 0.9890007 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9890007 ) isym = 6 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9890007 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(11) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9890007 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.9890007 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(21) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9890007 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.9890007 ) 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= 302 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0033113 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0033113 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0033113 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0033113 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0033113 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0033113 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0033113 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0033113 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0033113 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0033113 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0033113 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0033113 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0033113 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0033113 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0033113 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0033113 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0033113 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0033113 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0033113 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0033113 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0033113 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0033113 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0033113 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0033113 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0033113 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0033113 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0033113 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0033113 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0033113 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0033113 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0033113 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0033113 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0033113 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0033113 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0033113 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0033113 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0033113 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0033113 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0033113 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0033113 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0033113 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0033113 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0033113 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0033113 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0033113 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0033113 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0033113 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0033113 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0033113 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0033113 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0033113 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0033113 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0033113 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0033113 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0033113 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0033113 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0033113 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0033113 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0033113 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0033113 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0033113 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0033113 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0033113 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 123) = ( 0.0000000 0.0000000 0.0133042), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0266085), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0399127), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.0532169), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.0665212), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.0798254), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.0931296), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.1064339), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.1197381), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.1330423), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.1463465), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.1596508), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.1729550), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.1862592), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.1995635), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.2128677), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.2261719), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.2394762), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.2527804), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.2527804), wk = 0.0033113 k( 143) = ( 0.0116279 0.0067134 0.2527804), wk = 0.0033113 k( 144) = ( 0.0232558 0.0134267 0.2527804), wk = 0.0033113 k( 145) = ( 0.0348837 0.0201401 0.2527804), wk = 0.0033113 k( 146) = ( 0.0465116 0.0268535 0.2527804), wk = 0.0033113 k( 147) = ( 0.0581395 0.0335669 0.2527804), wk = 0.0033113 k( 148) = ( 0.0697674 0.0402803 0.2527804), wk = 0.0033113 k( 149) = ( 0.0813954 0.0469936 0.2527804), wk = 0.0033113 k( 150) = ( 0.0930233 0.0537070 0.2527804), wk = 0.0033113 k( 151) = ( 0.1046512 0.0604204 0.2527804), wk = 0.0033113 k( 152) = ( 0.1162791 0.0671338 0.2527804), wk = 0.0033113 k( 153) = ( 0.1279070 0.0738471 0.2527804), wk = 0.0033113 k( 154) = ( 0.1395349 0.0805605 0.2527804), wk = 0.0033113 k( 155) = ( 0.1511628 0.0872739 0.2527804), wk = 0.0033113 k( 156) = ( 0.1627907 0.0939873 0.2527804), wk = 0.0033113 k( 157) = ( 0.1744186 0.1007006 0.2527804), wk = 0.0033113 k( 158) = ( 0.1860465 0.1074140 0.2527804), wk = 0.0033113 k( 159) = ( 0.1976744 0.1141274 0.2527804), wk = 0.0033113 k( 160) = ( 0.2093023 0.1208408 0.2527804), wk = 0.0033113 k( 161) = ( 0.2209302 0.1275541 0.2527804), wk = 0.0033113 k( 162) = ( 0.2325581 0.1342675 0.2527804), wk = 0.0033113 k( 163) = ( 0.2441860 0.1409809 0.2527804), wk = 0.0033113 k( 164) = ( 0.2558140 0.1476943 0.2527804), wk = 0.0033113 k( 165) = ( 0.2674419 0.1544076 0.2527804), wk = 0.0033113 k( 166) = ( 0.2790698 0.1611210 0.2527804), wk = 0.0033113 k( 167) = ( 0.2906977 0.1678344 0.2527804), wk = 0.0033113 k( 168) = ( 0.3023256 0.1745478 0.2527804), wk = 0.0033113 k( 169) = ( 0.3139535 0.1812611 0.2527804), wk = 0.0033113 k( 170) = ( 0.3255814 0.1879745 0.2527804), wk = 0.0033113 k( 171) = ( 0.3372093 0.1946879 0.2527804), wk = 0.0033113 k( 172) = ( 0.3488372 0.2014013 0.2527804), wk = 0.0033113 k( 173) = ( 0.3604651 0.2081146 0.2527804), wk = 0.0033113 k( 174) = ( 0.3720930 0.2148280 0.2527804), wk = 0.0033113 k( 175) = ( 0.3837209 0.2215414 0.2527804), wk = 0.0033113 k( 176) = ( 0.3953488 0.2282548 0.2527804), wk = 0.0033113 k( 177) = ( 0.4069767 0.2349681 0.2527804), wk = 0.0033113 k( 178) = ( 0.4186047 0.2416815 0.2527804), wk = 0.0033113 k( 179) = ( 0.4302326 0.2483949 0.2527804), wk = 0.0033113 k( 180) = ( 0.4418605 0.2551083 0.2527804), wk = 0.0033113 k( 181) = ( 0.4534884 0.2618216 0.2527804), wk = 0.0033113 k( 182) = ( 0.4651163 0.2685350 0.2527804), wk = 0.0033113 k( 183) = ( 0.4767442 0.2752484 0.2527804), wk = 0.0033113 k( 184) = ( 0.4883721 0.2819618 0.2527804), wk = 0.0033113 k( 185) = ( 0.5000000 0.2886751 0.2527804), wk = 0.0033113 k( 186) = ( 0.5000000 0.2886751 0.2527804), wk = 0.0033113 k( 187) = ( 0.4933333 0.3002221 0.2527804), wk = 0.0033113 k( 188) = ( 0.4866667 0.3117692 0.2527804), wk = 0.0033113 k( 189) = ( 0.4800000 0.3233162 0.2527804), wk = 0.0033113 k( 190) = ( 0.4733333 0.3348632 0.2527804), wk = 0.0033113 k( 191) = ( 0.4666667 0.3464102 0.2527804), wk = 0.0033113 k( 192) = ( 0.4600000 0.3579572 0.2527804), wk = 0.0033113 k( 193) = ( 0.4533333 0.3695042 0.2527804), wk = 0.0033113 k( 194) = ( 0.4466667 0.3810512 0.2527804), wk = 0.0033113 k( 195) = ( 0.4400000 0.3925982 0.2527804), wk = 0.0033113 k( 196) = ( 0.4333333 0.4041452 0.2527804), wk = 0.0033113 k( 197) = ( 0.4266667 0.4156922 0.2527804), wk = 0.0033113 k( 198) = ( 0.4200000 0.4272392 0.2527804), wk = 0.0033113 k( 199) = ( 0.4133333 0.4387862 0.2527804), wk = 0.0033113 k( 200) = ( 0.4066667 0.4503332 0.2527804), wk = 0.0033113 k( 201) = ( 0.4000000 0.4618802 0.2527804), wk = 0.0033113 k( 202) = ( 0.3933333 0.4734272 0.2527804), wk = 0.0033113 k( 203) = ( 0.3866667 0.4849742 0.2527804), wk = 0.0033113 k( 204) = ( 0.3800000 0.4965212 0.2527804), wk = 0.0033113 k( 205) = ( 0.3733333 0.5080682 0.2527804), wk = 0.0033113 k( 206) = ( 0.3666667 0.5196152 0.2527804), wk = 0.0033113 k( 207) = ( 0.3600000 0.5311622 0.2527804), wk = 0.0033113 k( 208) = ( 0.3533333 0.5427092 0.2527804), wk = 0.0033113 k( 209) = ( 0.3466667 0.5542563 0.2527804), wk = 0.0033113 k( 210) = ( 0.3400000 0.5658033 0.2527804), wk = 0.0033113 k( 211) = ( 0.3333333 0.5773503 0.2527804), wk = 0.0033113 k( 212) = ( 0.3333333 0.5773503 0.2527804), wk = 0.0033113 k( 213) = ( 0.3266667 0.5658033 0.2527804), wk = 0.0033113 k( 214) = ( 0.3200000 0.5542563 0.2527804), wk = 0.0033113 k( 215) = ( 0.3133333 0.5427092 0.2527804), wk = 0.0033113 k( 216) = ( 0.3066667 0.5311623 0.2527804), wk = 0.0033113 k( 217) = ( 0.3000000 0.5196152 0.2527804), wk = 0.0033113 k( 218) = ( 0.2933333 0.5080682 0.2527804), wk = 0.0033113 k( 219) = ( 0.2866667 0.4965212 0.2527804), wk = 0.0033113 k( 220) = ( 0.2800000 0.4849742 0.2527804), wk = 0.0033113 k( 221) = ( 0.2733333 0.4734272 0.2527804), wk = 0.0033113 k( 222) = ( 0.2666667 0.4618802 0.2527804), wk = 0.0033113 k( 223) = ( 0.2600000 0.4503332 0.2527804), wk = 0.0033113 k( 224) = ( 0.2533333 0.4387862 0.2527804), wk = 0.0033113 k( 225) = ( 0.2466667 0.4272392 0.2527804), wk = 0.0033113 k( 226) = ( 0.2400000 0.4156922 0.2527804), wk = 0.0033113 k( 227) = ( 0.2333333 0.4041452 0.2527804), wk = 0.0033113 k( 228) = ( 0.2266667 0.3925982 0.2527804), wk = 0.0033113 k( 229) = ( 0.2200000 0.3810512 0.2527804), wk = 0.0033113 k( 230) = ( 0.2133333 0.3695042 0.2527804), wk = 0.0033113 k( 231) = ( 0.2066667 0.3579572 0.2527804), wk = 0.0033113 k( 232) = ( 0.2000000 0.3464102 0.2527804), wk = 0.0033113 k( 233) = ( 0.1933333 0.3348632 0.2527804), wk = 0.0033113 k( 234) = ( 0.1866667 0.3233162 0.2527804), wk = 0.0033113 k( 235) = ( 0.1800000 0.3117691 0.2527804), wk = 0.0033113 k( 236) = ( 0.1733333 0.3002221 0.2527804), wk = 0.0033113 k( 237) = ( 0.1666667 0.2886751 0.2527804), wk = 0.0033113 k( 238) = ( 0.1600000 0.2771281 0.2527804), wk = 0.0033113 k( 239) = ( 0.1533333 0.2655811 0.2527804), wk = 0.0033113 k( 240) = ( 0.1466667 0.2540341 0.2527804), wk = 0.0033113 k( 241) = ( 0.1400000 0.2424871 0.2527804), wk = 0.0033113 k( 242) = ( 0.1333333 0.2309401 0.2527804), wk = 0.0033113 k( 243) = ( 0.1266667 0.2193931 0.2527804), wk = 0.0033113 k( 244) = ( 0.1200000 0.2078461 0.2527804), wk = 0.0033113 k( 245) = ( 0.1133333 0.1962991 0.2527804), wk = 0.0033113 k( 246) = ( 0.1066667 0.1847521 0.2527804), wk = 0.0033113 k( 247) = ( 0.1000000 0.1732051 0.2527804), wk = 0.0033113 k( 248) = ( 0.0933333 0.1616581 0.2527804), wk = 0.0033113 k( 249) = ( 0.0866667 0.1501111 0.2527804), wk = 0.0033113 k( 250) = ( 0.0800000 0.1385641 0.2527804), wk = 0.0033113 k( 251) = ( 0.0733333 0.1270171 0.2527804), wk = 0.0033113 k( 252) = ( 0.0666667 0.1154701 0.2527804), wk = 0.0033113 k( 253) = ( 0.0600000 0.1039230 0.2527804), wk = 0.0033113 k( 254) = ( 0.0533333 0.0923760 0.2527804), wk = 0.0033113 k( 255) = ( 0.0466667 0.0808290 0.2527804), wk = 0.0033113 k( 256) = ( 0.0400000 0.0692820 0.2527804), wk = 0.0033113 k( 257) = ( 0.0333333 0.0577350 0.2527804), wk = 0.0033113 k( 258) = ( 0.0266667 0.0461880 0.2527804), wk = 0.0033113 k( 259) = ( 0.0200000 0.0346410 0.2527804), wk = 0.0033113 k( 260) = ( 0.0133333 0.0230940 0.2527804), wk = 0.0033113 k( 261) = ( 0.0066667 0.0115470 0.2527804), wk = 0.0033113 k( 262) = ( 0.0000000 0.0000000 0.2527804), wk = 0.0033113 k( 263) = ( 0.5000000 0.2886751 0.2527804), wk = 0.0033113 k( 264) = ( 0.5000000 0.2886751 0.2394762), wk = 0.0033113 k( 265) = ( 0.5000000 0.2886751 0.2261719), wk = 0.0033113 k( 266) = ( 0.5000000 0.2886751 0.2128677), wk = 0.0033113 k( 267) = ( 0.5000000 0.2886751 0.1995635), wk = 0.0033113 k( 268) = ( 0.5000000 0.2886751 0.1862592), wk = 0.0033113 k( 269) = ( 0.5000000 0.2886751 0.1729550), wk = 0.0033113 k( 270) = ( 0.5000000 0.2886751 0.1596508), wk = 0.0033113 k( 271) = ( 0.5000000 0.2886751 0.1463465), wk = 0.0033113 k( 272) = ( 0.5000000 0.2886751 0.1330423), wk = 0.0033113 k( 273) = ( 0.5000000 0.2886751 0.1197381), wk = 0.0033113 k( 274) = ( 0.5000000 0.2886751 0.1064339), wk = 0.0033113 k( 275) = ( 0.5000000 0.2886751 0.0931296), wk = 0.0033113 k( 276) = ( 0.5000000 0.2886751 0.0798254), wk = 0.0033113 k( 277) = ( 0.5000000 0.2886751 0.0665212), wk = 0.0033113 k( 278) = ( 0.5000000 0.2886751 0.0532169), wk = 0.0033113 k( 279) = ( 0.5000000 0.2886751 0.0399127), wk = 0.0033113 k( 280) = ( 0.5000000 0.2886751 0.0266085), wk = 0.0033113 k( 281) = ( 0.5000000 0.2886751 0.0133042), wk = 0.0033113 k( 282) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033113 k( 283) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033113 k( 284) = ( 0.3333333 0.5773503 0.0133042), wk = 0.0033113 k( 285) = ( 0.3333333 0.5773503 0.0266085), wk = 0.0033113 k( 286) = ( 0.3333333 0.5773503 0.0399127), wk = 0.0033113 k( 287) = ( 0.3333333 0.5773503 0.0532169), wk = 0.0033113 k( 288) = ( 0.3333333 0.5773503 0.0665212), wk = 0.0033113 k( 289) = ( 0.3333333 0.5773503 0.0798254), wk = 0.0033113 k( 290) = ( 0.3333333 0.5773503 0.0931296), wk = 0.0033113 k( 291) = ( 0.3333333 0.5773503 0.1064339), wk = 0.0033113 k( 292) = ( 0.3333333 0.5773503 0.1197381), wk = 0.0033113 k( 293) = ( 0.3333333 0.5773503 0.1330423), wk = 0.0033113 k( 294) = ( 0.3333333 0.5773503 0.1463465), wk = 0.0033113 k( 295) = ( 0.3333333 0.5773503 0.1596508), wk = 0.0033113 k( 296) = ( 0.3333333 0.5773503 0.1729550), wk = 0.0033113 k( 297) = ( 0.3333333 0.5773503 0.1862592), wk = 0.0033113 k( 298) = ( 0.3333333 0.5773503 0.1995635), wk = 0.0033113 k( 299) = ( 0.3333333 0.5773503 0.2128677), wk = 0.0033113 k( 300) = ( 0.3333333 0.5773503 0.2261719), wk = 0.0033113 k( 301) = ( 0.3333333 0.5773503 0.2394762), wk = 0.0033113 k( 302) = ( 0.3333333 0.5773503 0.2527804), wk = 0.0033113 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 2) = ( 0.0116279 0.0000000 -0.0000000), wk = 0.0033113 k( 3) = ( 0.0232558 0.0000000 -0.0000000), wk = 0.0033113 k( 4) = ( 0.0348837 0.0000000 -0.0000000), wk = 0.0033113 k( 5) = ( 0.0465116 0.0000000 -0.0000000), wk = 0.0033113 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0033113 k( 7) = ( 0.0697674 0.0000000 -0.0000000), wk = 0.0033113 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0033113 k( 9) = ( 0.0930233 0.0000000 -0.0000000), wk = 0.0033113 k( 10) = ( 0.1046512 0.0000000 -0.0000000), wk = 0.0033113 k( 11) = ( 0.1162791 -0.0000000 -0.0000000), wk = 0.0033113 k( 12) = ( 0.1279070 0.0000000 -0.0000000), wk = 0.0033113 k( 13) = ( 0.1395349 0.0000000 -0.0000000), wk = 0.0033113 k( 14) = ( 0.1511628 -0.0000000 -0.0000000), wk = 0.0033113 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0033113 k( 16) = ( 0.1744186 0.0000000 -0.0000000), wk = 0.0033113 k( 17) = ( 0.1860465 0.0000000 0.0000000), wk = 0.0033113 k( 18) = ( 0.1976744 -0.0000000 -0.0000000), wk = 0.0033113 k( 19) = ( 0.2093023 0.0000000 -0.0000000), wk = 0.0033113 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0033113 k( 21) = ( 0.2325581 -0.0000000 -0.0000000), wk = 0.0033113 k( 22) = ( 0.2441860 -0.0000000 -0.0000000), wk = 0.0033113 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0033113 k( 24) = ( 0.2674419 0.0000000 -0.0000000), wk = 0.0033113 k( 25) = ( 0.2790698 0.0000000 -0.0000000), wk = 0.0033113 k( 26) = ( 0.2906977 0.0000000 -0.0000000), wk = 0.0033113 k( 27) = ( 0.3023256 -0.0000000 -0.0000000), wk = 0.0033113 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0033113 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0033113 k( 30) = ( 0.3372093 0.0000000 -0.0000000), wk = 0.0033113 k( 31) = ( 0.3488372 0.0000000 -0.0000000), wk = 0.0033113 k( 32) = ( 0.3604651 0.0000000 -0.0000000), wk = 0.0033113 k( 33) = ( 0.3720930 0.0000000 0.0000000), wk = 0.0033113 k( 34) = ( 0.3837209 0.0000000 0.0000000), wk = 0.0033113 k( 35) = ( 0.3953488 -0.0000000 -0.0000000), wk = 0.0033113 k( 36) = ( 0.4069767 -0.0000000 -0.0000000), wk = 0.0033113 k( 37) = ( 0.4186047 0.0000000 -0.0000000), wk = 0.0033113 k( 38) = ( 0.4302326 0.0000000 -0.0000000), wk = 0.0033113 k( 39) = ( 0.4418605 0.0000000 -0.0000000), wk = 0.0033113 k( 40) = ( 0.4534884 -0.0000000 -0.0000000), wk = 0.0033113 k( 41) = ( 0.4651163 -0.0000000 -0.0000000), wk = 0.0033113 k( 42) = ( 0.4767442 0.0000000 -0.0000000), wk = 0.0033113 k( 43) = ( 0.4883721 0.0000000 -0.0000000), wk = 0.0033113 k( 44) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033113 k( 45) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033113 k( 46) = ( 0.4933333 0.0133333 -0.0000000), wk = 0.0033113 k( 47) = ( 0.4866667 0.0266667 -0.0000000), wk = 0.0033113 k( 48) = ( 0.4800000 0.0400000 -0.0000000), wk = 0.0033113 k( 49) = ( 0.4733333 0.0533333 -0.0000000), wk = 0.0033113 k( 50) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0033113 k( 51) = ( 0.4600000 0.0800000 -0.0000000), wk = 0.0033113 k( 52) = ( 0.4533333 0.0933333 -0.0000000), wk = 0.0033113 k( 53) = ( 0.4466667 0.1066667 -0.0000000), wk = 0.0033113 k( 54) = ( 0.4400000 0.1200000 -0.0000000), wk = 0.0033113 k( 55) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0033113 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0033113 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0033113 k( 58) = ( 0.4133333 0.1733333 -0.0000000), wk = 0.0033113 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0033113 k( 60) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0033113 k( 61) = ( 0.3933333 0.2133333 -0.0000000), wk = 0.0033113 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0033113 k( 63) = ( 0.3800000 0.2400000 -0.0000000), wk = 0.0033113 k( 64) = ( 0.3733333 0.2533333 -0.0000000), wk = 0.0033113 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0033113 k( 66) = ( 0.3600000 0.2800000 -0.0000000), wk = 0.0033113 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0033113 k( 68) = ( 0.3466667 0.3066667 -0.0000000), wk = 0.0033113 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0033113 k( 70) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 71) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 72) = ( 0.3266667 0.3266667 -0.0000000), wk = 0.0033113 k( 73) = ( 0.3200000 0.3200000 -0.0000000), wk = 0.0033113 k( 74) = ( 0.3133333 0.3133333 -0.0000000), wk = 0.0033113 k( 75) = ( 0.3066667 0.3066667 -0.0000000), wk = 0.0033113 k( 76) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0033113 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0033113 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0033113 k( 79) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0033113 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0033113 k( 81) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0033113 k( 82) = ( 0.2600000 0.2600000 -0.0000000), wk = 0.0033113 k( 83) = ( 0.2533333 0.2533333 -0.0000000), wk = 0.0033113 k( 84) = ( 0.2466667 0.2466667 -0.0000000), wk = 0.0033113 k( 85) = ( 0.2400000 0.2400000 -0.0000000), wk = 0.0033113 k( 86) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0033113 k( 87) = ( 0.2266667 0.2266667 -0.0000000), wk = 0.0033113 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033113 k( 89) = ( 0.2133333 0.2133333 -0.0000000), wk = 0.0033113 k( 90) = ( 0.2066667 0.2066667 -0.0000000), wk = 0.0033113 k( 91) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033113 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0033113 k( 93) = ( 0.1866667 0.1866667 -0.0000000), wk = 0.0033113 k( 94) = ( 0.1800000 0.1800000 -0.0000000), wk = 0.0033113 k( 95) = ( 0.1733333 0.1733333 -0.0000000), wk = 0.0033113 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0033113 k( 97) = ( 0.1600000 0.1600000 -0.0000000), wk = 0.0033113 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0033113 k( 99) = ( 0.1466667 0.1466667 -0.0000000), wk = 0.0033113 k( 100) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0033113 k( 101) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0033113 k( 102) = ( 0.1266667 0.1266667 -0.0000000), wk = 0.0033113 k( 103) = ( 0.1200000 0.1200000 -0.0000000), wk = 0.0033113 k( 104) = ( 0.1133333 0.1133333 -0.0000000), wk = 0.0033113 k( 105) = ( 0.1066667 0.1066667 -0.0000000), wk = 0.0033113 k( 106) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033113 k( 107) = ( 0.0933333 0.0933333 -0.0000000), wk = 0.0033113 k( 108) = ( 0.0866667 0.0866667 -0.0000000), wk = 0.0033113 k( 109) = ( 0.0800000 0.0800000 -0.0000000), wk = 0.0033113 k( 110) = ( 0.0733333 0.0733333 -0.0000000), wk = 0.0033113 k( 111) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0033113 k( 112) = ( 0.0600000 0.0600000 -0.0000000), wk = 0.0033113 k( 113) = ( 0.0533333 0.0533333 -0.0000000), wk = 0.0033113 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0033113 k( 115) = ( 0.0400000 0.0400000 -0.0000000), wk = 0.0033113 k( 116) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0033113 k( 117) = ( 0.0266667 0.0266667 -0.0000000), wk = 0.0033113 k( 118) = ( 0.0200000 0.0200000 -0.0000000), wk = 0.0033113 k( 119) = ( 0.0133333 0.0133333 -0.0000000), wk = 0.0033113 k( 120) = ( 0.0066667 0.0066667 -0.0000000), wk = 0.0033113 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033113 k( 123) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0033113 k( 124) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0033113 k( 125) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0033113 k( 126) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0033113 k( 127) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0033113 k( 128) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0033113 k( 129) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0033113 k( 130) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0033113 k( 131) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0033113 k( 132) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0033113 k( 133) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0033113 k( 134) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0033113 k( 135) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0033113 k( 136) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0033113 k( 137) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0033113 k( 138) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0033113 k( 139) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0033113 k( 140) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0033113 k( 141) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 143) = ( 0.0116279 0.0000000 0.5000000), wk = 0.0033113 k( 144) = ( 0.0232558 0.0000000 0.5000000), wk = 0.0033113 k( 145) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0033113 k( 146) = ( 0.0465116 0.0000000 0.5000000), wk = 0.0033113 k( 147) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0033113 k( 148) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0033113 k( 149) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0033113 k( 150) = ( 0.0930233 0.0000000 0.5000000), wk = 0.0033113 k( 151) = ( 0.1046512 0.0000000 0.5000000), wk = 0.0033113 k( 152) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0033113 k( 153) = ( 0.1279070 0.0000000 0.5000000), wk = 0.0033113 k( 154) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0033113 k( 155) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0033113 k( 156) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0033113 k( 157) = ( 0.1744186 0.0000000 0.5000000), wk = 0.0033113 k( 158) = ( 0.1860465 0.0000000 0.5000000), wk = 0.0033113 k( 159) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0033113 k( 160) = ( 0.2093023 0.0000000 0.5000000), wk = 0.0033113 k( 161) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0033113 k( 162) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0033113 k( 163) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0033113 k( 164) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0033113 k( 165) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0033113 k( 166) = ( 0.2790698 0.0000000 0.5000000), wk = 0.0033113 k( 167) = ( 0.2906977 0.0000000 0.5000000), wk = 0.0033113 k( 168) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0033113 k( 169) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0033113 k( 170) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0033113 k( 171) = ( 0.3372093 0.0000000 0.5000000), wk = 0.0033113 k( 172) = ( 0.3488372 0.0000000 0.5000000), wk = 0.0033113 k( 173) = ( 0.3604651 0.0000000 0.5000000), wk = 0.0033113 k( 174) = ( 0.3720930 0.0000000 0.5000000), wk = 0.0033113 k( 175) = ( 0.3837209 0.0000000 0.5000000), wk = 0.0033113 k( 176) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0033113 k( 177) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0033113 k( 178) = ( 0.4186047 0.0000000 0.5000000), wk = 0.0033113 k( 179) = ( 0.4302326 0.0000000 0.5000000), wk = 0.0033113 k( 180) = ( 0.4418605 0.0000000 0.5000000), wk = 0.0033113 k( 181) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0033113 k( 182) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0033113 k( 183) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0033113 k( 184) = ( 0.4883721 0.0000000 0.5000000), wk = 0.0033113 k( 185) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 186) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 187) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0033113 k( 188) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0033113 k( 189) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0033113 k( 190) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0033113 k( 191) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0033113 k( 192) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0033113 k( 193) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0033113 k( 194) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0033113 k( 195) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0033113 k( 196) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0033113 k( 197) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0033113 k( 198) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0033113 k( 199) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0033113 k( 200) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0033113 k( 201) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0033113 k( 202) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0033113 k( 203) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0033113 k( 204) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0033113 k( 205) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0033113 k( 206) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0033113 k( 207) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0033113 k( 208) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0033113 k( 209) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0033113 k( 210) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0033113 k( 211) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 212) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 k( 213) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0033113 k( 214) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0033113 k( 215) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0033113 k( 216) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0033113 k( 217) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0033113 k( 218) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0033113 k( 219) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0033113 k( 220) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0033113 k( 221) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0033113 k( 222) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0033113 k( 223) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0033113 k( 224) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0033113 k( 225) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0033113 k( 226) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0033113 k( 227) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0033113 k( 228) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0033113 k( 229) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0033113 k( 230) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0033113 k( 231) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0033113 k( 232) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0033113 k( 233) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0033113 k( 234) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0033113 k( 235) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0033113 k( 236) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0033113 k( 237) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0033113 k( 238) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0033113 k( 239) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0033113 k( 240) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0033113 k( 241) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0033113 k( 242) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0033113 k( 243) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0033113 k( 244) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0033113 k( 245) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0033113 k( 246) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0033113 k( 247) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0033113 k( 248) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0033113 k( 249) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0033113 k( 250) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0033113 k( 251) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0033113 k( 252) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0033113 k( 253) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0033113 k( 254) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0033113 k( 255) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0033113 k( 256) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0033113 k( 257) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0033113 k( 258) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0033113 k( 259) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0033113 k( 260) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0033113 k( 261) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0033113 k( 262) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033113 k( 263) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033113 k( 264) = ( 0.5000000 0.0000000 0.4736842), wk = 0.0033113 k( 265) = ( 0.5000000 0.0000000 0.4473684), wk = 0.0033113 k( 266) = ( 0.5000000 0.0000000 0.4210526), wk = 0.0033113 k( 267) = ( 0.5000000 0.0000000 0.3947368), wk = 0.0033113 k( 268) = ( 0.5000000 0.0000000 0.3684211), wk = 0.0033113 k( 269) = ( 0.5000000 0.0000000 0.3421053), wk = 0.0033113 k( 270) = ( 0.5000000 0.0000000 0.3157895), wk = 0.0033113 k( 271) = ( 0.5000000 0.0000000 0.2894737), wk = 0.0033113 k( 272) = ( 0.5000000 0.0000000 0.2631579), wk = 0.0033113 k( 273) = ( 0.5000000 0.0000000 0.2368421), wk = 0.0033113 k( 274) = ( 0.5000000 0.0000000 0.2105263), wk = 0.0033113 k( 275) = ( 0.5000000 0.0000000 0.1842105), wk = 0.0033113 k( 276) = ( 0.5000000 0.0000000 0.1578947), wk = 0.0033113 k( 277) = ( 0.5000000 0.0000000 0.1315790), wk = 0.0033113 k( 278) = ( 0.5000000 0.0000000 0.1052632), wk = 0.0033113 k( 279) = ( 0.5000000 0.0000000 0.0789474), wk = 0.0033113 k( 280) = ( 0.5000000 0.0000000 0.0526316), wk = 0.0033113 k( 281) = ( 0.5000000 0.0000000 0.0263158), wk = 0.0033113 k( 282) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033113 k( 283) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0033113 k( 284) = ( 0.3333333 0.3333333 0.0263158), wk = 0.0033113 k( 285) = ( 0.3333333 0.3333333 0.0526316), wk = 0.0033113 k( 286) = ( 0.3333333 0.3333333 0.0789474), wk = 0.0033113 k( 287) = ( 0.3333333 0.3333333 0.1052632), wk = 0.0033113 k( 288) = ( 0.3333333 0.3333333 0.1315790), wk = 0.0033113 k( 289) = ( 0.3333333 0.3333333 0.1578947), wk = 0.0033113 k( 290) = ( 0.3333333 0.3333333 0.1842105), wk = 0.0033113 k( 291) = ( 0.3333333 0.3333333 0.2105263), wk = 0.0033113 k( 292) = ( 0.3333333 0.3333333 0.2368421), wk = 0.0033113 k( 293) = ( 0.3333333 0.3333333 0.2631579), wk = 0.0033113 k( 294) = ( 0.3333333 0.3333333 0.2894737), wk = 0.0033113 k( 295) = ( 0.3333333 0.3333333 0.3157895), wk = 0.0033113 k( 296) = ( 0.3333333 0.3333333 0.3421053), wk = 0.0033113 k( 297) = ( 0.3333333 0.3333333 0.3684211), wk = 0.0033113 k( 298) = ( 0.3333333 0.3333333 0.3947368), wk = 0.0033113 k( 299) = ( 0.3333333 0.3333333 0.4210526), wk = 0.0033113 k( 300) = ( 0.3333333 0.3333333 0.4473684), wk = 0.0033113 k( 301) = ( 0.3333333 0.3333333 0.4736842), wk = 0.0033113 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033113 Dense grid: 64919 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 38043 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.28 Mb ( 296, 62) NL pseudopotentials 0.37 Mb ( 148, 164) Each V/rho on FFT grid 0.09 Mb ( 6075) Each G-vector array 0.01 Mb ( 1805) G-vector shells 0.01 Mb ( 889) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.12 Mb ( 296, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.31 Mb ( 164, 2, 62) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrCuAs.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.8 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.9 secs Computing kpt #: 6 total cpu time spent up to now is 5.5 secs Computing kpt #: 7 total cpu time spent up to now is 6.0 secs Computing kpt #: 8 total cpu time spent up to now is 6.6 secs Computing kpt #: 9 total cpu time spent up to now is 7.1 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.2 secs Computing kpt #: 12 total cpu time spent up to now is 8.8 secs Computing kpt #: 13 total cpu time spent up to now is 9.3 secs Computing kpt #: 14 total cpu time spent up to now is 9.8 secs Computing kpt #: 15 total cpu time spent up to now is 10.4 secs Computing kpt #: 16 total cpu time spent up to now is 11.0 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.2 secs Computing kpt #: 19 total cpu time spent up to now is 12.8 secs Computing kpt #: 20 total cpu time spent up to now is 13.4 secs Computing kpt #: 21 total cpu time spent up to now is 14.0 secs Computing kpt #: 22 total cpu time spent up to now is 14.6 secs Computing kpt #: 23 total cpu time spent up to now is 15.2 secs Computing kpt #: 24 total cpu time spent up to now is 15.8 secs Computing kpt #: 25 total cpu time spent up to now is 16.3 secs Computing kpt #: 26 total cpu time spent up to now is 16.9 secs Computing kpt #: 27 total cpu time spent up to now is 17.4 secs Computing kpt #: 28 total cpu time spent up to now is 17.9 secs Computing kpt #: 29 total cpu time spent up to now is 18.4 secs Computing kpt #: 30 total cpu time spent up to now is 18.9 secs Computing kpt #: 31 total cpu time spent up to now is 19.4 secs Computing kpt #: 32 total cpu time spent up to now is 20.0 secs Computing kpt #: 33 total cpu time spent up to now is 20.5 secs Computing kpt #: 34 total cpu time spent up to now is 21.0 secs Computing kpt #: 35 total cpu time spent up to now is 21.5 secs Computing kpt #: 36 total cpu time spent up to now is 22.0 secs Computing kpt #: 37 total cpu time spent up to now is 22.6 secs Computing kpt #: 38 total cpu time spent up to now is 23.1 secs Computing kpt #: 39 total cpu time spent up to now is 23.6 secs Computing kpt #: 40 total cpu time spent up to now is 24.1 secs Computing kpt #: 41 total cpu time spent up to now is 24.6 secs Computing kpt #: 42 total cpu time spent up to now is 25.2 secs Computing kpt #: 43 total cpu time spent up to now is 25.6 secs Computing kpt #: 44 total cpu time spent up to now is 26.2 secs Computing kpt #: 45 total cpu time spent up to now is 26.6 secs Computing kpt #: 46 total cpu time spent up to now is 27.1 secs Computing kpt #: 47 total cpu time spent up to now is 27.6 secs Computing kpt #: 48 total cpu time spent up to now is 28.1 secs Computing kpt #: 49 total cpu time spent up to now is 28.7 secs Computing kpt #: 50 total cpu time spent up to now is 29.2 secs Computing kpt #: 51 total cpu time spent up to now is 29.7 secs Computing kpt #: 52 total cpu time spent up to now is 30.2 secs Computing kpt #: 53 total cpu time spent up to now is 30.7 secs Computing kpt #: 54 total cpu time spent up to now is 31.2 secs Computing kpt #: 55 total cpu time spent up to now is 31.7 secs Computing kpt #: 56 total cpu time spent up to now is 32.3 secs Computing kpt #: 57 total cpu time spent up to now is 32.8 secs Computing kpt #: 58 total cpu time spent up to now is 33.4 secs Computing kpt #: 59 total cpu time spent up to now is 36.6 secs Computing kpt #: 60 total cpu time spent up to now is 37.2 secs Computing kpt #: 61 total cpu time spent up to now is 37.8 secs Computing kpt #: 62 total cpu time spent up to now is 38.5 secs Computing kpt #: 63 total cpu time spent up to now is 39.1 secs Computing kpt #: 64 total cpu time spent up to now is 39.7 secs Computing kpt #: 65 total cpu time spent up to now is 40.3 secs Computing kpt #: 66 total cpu time spent up to now is 40.9 secs Computing kpt #: 67 total cpu time spent up to now is 41.6 secs Computing kpt #: 68 total cpu time spent up to now is 42.1 secs Computing kpt #: 69 total cpu time spent up to now is 42.6 secs Computing kpt #: 70 total cpu time spent up to now is 43.2 secs Computing kpt #: 71 total cpu time spent up to now is 43.7 secs Computing kpt #: 72 total cpu time spent up to now is 44.3 secs Computing kpt #: 73 total cpu time spent up to now is 44.9 secs Computing kpt #: 74 total cpu time spent up to now is 45.5 secs Computing kpt #: 75 total cpu time spent up to now is 46.1 secs Computing kpt #: 76 total cpu time spent up to now is 46.7 secs Computing kpt #: 77 total cpu time spent up to now is 47.3 secs Computing kpt #: 78 total cpu time spent up to now is 47.8 secs Computing kpt #: 79 total cpu time spent up to now is 48.4 secs Computing kpt #: 80 total cpu time spent up to now is 48.9 secs Computing kpt #: 81 total cpu time spent up to now is 49.4 secs Computing kpt #: 82 total cpu time spent up to now is 49.9 secs Computing kpt #: 83 total cpu time spent up to now is 50.4 secs Computing kpt #: 84 total cpu time spent up to now is 50.9 secs Computing kpt #: 85 total cpu time spent up to now is 51.4 secs Computing kpt #: 86 total cpu time spent up to now is 51.9 secs Computing kpt #: 87 total cpu time spent up to now is 52.4 secs Computing kpt #: 88 total cpu time spent up to now is 52.9 secs Computing kpt #: 89 total cpu time spent up to now is 53.4 secs Computing kpt #: 90 total cpu time spent up to now is 53.9 secs Computing kpt #: 91 total cpu time spent up to now is 54.4 secs Computing kpt #: 92 total cpu time spent up to now is 54.9 secs Computing kpt #: 93 total cpu time spent up to now is 55.4 secs Computing kpt #: 94 total cpu time spent up to now is 55.9 secs Computing kpt #: 95 total cpu time spent up to now is 56.5 secs Computing kpt #: 96 total cpu time spent up to now is 57.0 secs Computing kpt #: 97 total cpu time spent up to now is 57.5 secs Computing kpt #: 98 total cpu time spent up to now is 58.1 secs Computing kpt #: 99 total cpu time spent up to now is 58.6 secs Computing kpt #: 100 total cpu time spent up to now is 59.2 secs Computing kpt #: 101 total cpu time spent up to now is 59.8 secs Computing kpt #: 102 total cpu time spent up to now is 60.4 secs Computing kpt #: 103 total cpu time spent up to now is 61.0 secs Computing kpt #: 104 total cpu time spent up to now is 61.6 secs Computing kpt #: 105 total cpu time spent up to now is 62.2 secs Computing kpt #: 106 total cpu time spent up to now is 62.8 secs Computing kpt #: 107 total cpu time spent up to now is 63.4 secs Computing kpt #: 108 total cpu time spent up to now is 64.0 secs Computing kpt #: 109 total cpu time spent up to now is 64.6 secs Computing kpt #: 110 total cpu time spent up to now is 65.2 secs Computing kpt #: 111 total cpu time spent up to now is 65.8 secs Computing kpt #: 112 total cpu time spent up to now is 66.4 secs Computing kpt #: 113 total cpu time spent up to now is 67.0 secs Computing kpt #: 114 total cpu time spent up to now is 67.6 secs Computing kpt #: 115 total cpu time spent up to now is 68.1 secs Computing kpt #: 116 total cpu time spent up to now is 68.7 secs Computing kpt #: 117 total cpu time spent up to now is 69.2 secs Computing kpt #: 118 total cpu time spent up to now is 69.7 secs Computing kpt #: 119 total cpu time spent up to now is 70.3 secs Computing kpt #: 120 total cpu time spent up to now is 70.8 secs Computing kpt #: 121 total cpu time spent up to now is 71.3 secs Computing kpt #: 122 total cpu time spent up to now is 71.8 secs Computing kpt #: 123 total cpu time spent up to now is 72.4 secs Computing kpt #: 124 total cpu time spent up to now is 72.9 secs Computing kpt #: 125 total cpu time spent up to now is 73.4 secs Computing kpt #: 126 total cpu time spent up to now is 74.0 secs Computing kpt #: 127 total cpu time spent up to now is 74.5 secs Computing kpt #: 128 total cpu time spent up to now is 75.0 secs Computing kpt #: 129 total cpu time spent up to now is 75.5 secs Computing kpt #: 130 total cpu time spent up to now is 76.1 secs Computing kpt #: 131 total cpu time spent up to now is 76.6 secs Computing kpt #: 132 total cpu time spent up to now is 77.1 secs Computing kpt #: 133 total cpu time spent up to now is 77.7 secs Computing kpt #: 134 total cpu time spent up to now is 78.2 secs Computing kpt #: 135 total cpu time spent up to now is 78.7 secs Computing kpt #: 136 total cpu time spent up to now is 79.3 secs Computing kpt #: 137 total cpu time spent up to now is 79.9 secs Computing kpt #: 138 total cpu time spent up to now is 80.5 secs Computing kpt #: 139 total cpu time spent up to now is 81.1 secs Computing kpt #: 140 total cpu time spent up to now is 81.7 secs Computing kpt #: 141 total cpu time spent up to now is 82.3 secs Computing kpt #: 142 total cpu time spent up to now is 82.8 secs Computing kpt #: 143 total cpu time spent up to now is 83.4 secs Computing kpt #: 144 total cpu time spent up to now is 84.0 secs Computing kpt #: 145 total cpu time spent up to now is 84.5 secs Computing kpt #: 146 total cpu time spent up to now is 85.1 secs Computing kpt #: 147 total cpu time spent up to now is 85.7 secs Computing kpt #: 148 total cpu time spent up to now is 86.2 secs Computing kpt #: 149 total cpu time spent up to now is 86.8 secs Computing kpt #: 150 total cpu time spent up to now is 87.3 secs Computing kpt #: 151 total cpu time spent up to now is 87.9 secs Computing kpt #: 152 total cpu time spent up to now is 88.4 secs Computing kpt #: 153 total cpu time spent up to now is 89.0 secs Computing kpt #: 154 total cpu time spent up to now is 89.5 secs Computing kpt #: 155 total cpu time spent up to now is 90.0 secs Computing kpt #: 156 total cpu time spent up to now is 90.6 secs Computing kpt #: 157 total cpu time spent up to now is 91.1 secs Computing kpt #: 158 total cpu time spent up to now is 91.6 secs Computing kpt #: 159 total cpu time spent up to now is 92.2 secs Computing kpt #: 160 total cpu time spent up to now is 92.7 secs Computing kpt #: 161 total cpu time spent up to now is 93.3 secs Computing kpt #: 162 total cpu time spent up to now is 93.9 secs Computing kpt #: 163 total cpu time spent up to now is 94.5 secs Computing kpt #: 164 total cpu time spent up to now is 95.1 secs Computing kpt #: 165 total cpu time spent up to now is 95.7 secs Computing kpt #: 166 total cpu time spent up to now is 96.3 secs Computing kpt #: 167 total cpu time spent up to now is 96.8 secs Computing kpt #: 168 total cpu time spent up to now is 97.4 secs Computing kpt #: 169 total cpu time spent up to now is 98.0 secs Computing kpt #: 170 total cpu time spent up to now is 98.6 secs Computing kpt #: 171 total cpu time spent up to now is 100.1 secs Computing kpt #: 172 total cpu time spent up to now is 100.7 secs Computing kpt #: 173 total cpu time spent up to now is 101.3 secs Computing kpt #: 174 total cpu time spent up to now is 101.9 secs Computing kpt #: 175 total cpu time spent up to now is 102.5 secs Computing kpt #: 176 total cpu time spent up to now is 103.1 secs Computing kpt #: 177 total cpu time spent up to now is 103.7 secs Computing kpt #: 178 total cpu time spent up to now is 104.2 secs Computing kpt #: 179 total cpu time spent up to now is 104.8 secs Computing kpt #: 180 total cpu time spent up to now is 105.5 secs Computing kpt #: 181 total cpu time spent up to now is 106.1 secs Computing kpt #: 182 total cpu time spent up to now is 106.8 secs Computing kpt #: 183 total cpu time spent up to now is 107.4 secs Computing kpt #: 184 total cpu time spent up to now is 108.1 secs Computing kpt #: 185 total cpu time spent up to now is 108.7 secs Computing kpt #: 186 total cpu time spent up to now is 109.4 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.2 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.0 secs Computing kpt #: 189 total cpu time spent up to now is 114.3 secs Computing kpt #: 190 total cpu time spent up to now is 115.1 secs Computing kpt #: 191 total cpu time spent up to now is 115.8 secs Computing kpt #: 192 total cpu time spent up to now is 116.6 secs Computing kpt #: 193 total cpu time spent up to now is 117.3 secs Computing kpt #: 194 total cpu time spent up to now is 118.0 secs Computing kpt #: 195 total cpu time spent up to now is 118.7 secs Computing kpt #: 196 total cpu time spent up to now is 119.4 secs Computing kpt #: 197 total cpu time spent up to now is 120.1 secs Computing kpt #: 198 total cpu time spent up to now is 120.8 secs Computing kpt #: 199 total cpu time spent up to now is 121.5 secs Computing kpt #: 200 total cpu time spent up to now is 122.2 secs Computing kpt #: 201 total cpu time spent up to now is 122.9 secs Computing kpt #: 202 total cpu time spent up to now is 123.7 secs Computing kpt #: 203 total cpu time spent up to now is 124.3 secs Computing kpt #: 204 total cpu time spent up to now is 125.0 secs Computing kpt #: 205 total cpu time spent up to now is 125.7 secs Computing kpt #: 206 total cpu time spent up to now is 126.4 secs Computing kpt #: 207 total cpu time spent up to now is 127.0 secs Computing kpt #: 208 total cpu time spent up to now is 127.7 secs Computing kpt #: 209 total cpu time spent up to now is 128.4 secs Computing kpt #: 210 total cpu time spent up to now is 129.0 secs Computing kpt #: 211 total cpu time spent up to now is 129.6 secs Computing kpt #: 212 total cpu time spent up to now is 130.3 secs Computing kpt #: 213 total cpu time spent up to now is 130.9 secs Computing kpt #: 214 total cpu time spent up to now is 131.6 secs Computing kpt #: 215 total cpu time spent up to now is 132.3 secs Computing kpt #: 216 total cpu time spent up to now is 132.9 secs Computing kpt #: 217 total cpu time spent up to now is 133.6 secs Computing kpt #: 218 total cpu time spent up to now is 134.9 secs Computing kpt #: 219 total cpu time spent up to now is 135.6 secs Computing kpt #: 220 total cpu time spent up to now is 136.3 secs Computing kpt #: 221 total cpu time spent up to now is 137.0 secs Computing kpt #: 222 total cpu time spent up to now is 137.6 secs Computing kpt #: 223 total cpu time spent up to now is 138.3 secs Computing kpt #: 224 total cpu time spent up to now is 138.9 secs Computing kpt #: 225 total cpu time spent up to now is 139.4 secs Computing kpt #: 226 total cpu time spent up to now is 140.0 secs Computing kpt #: 227 total cpu time spent up to now is 140.6 secs Computing kpt #: 228 total cpu time spent up to now is 141.1 secs Computing kpt #: 229 total cpu time spent up to now is 141.7 secs Computing kpt #: 230 total cpu time spent up to now is 142.3 secs Computing kpt #: 231 total cpu time spent up to now is 142.8 secs Computing kpt #: 232 total cpu time spent up to now is 143.4 secs Computing kpt #: 233 total cpu time spent up to now is 143.9 secs Computing kpt #: 234 total cpu time spent up to now is 144.5 secs Computing kpt #: 235 total cpu time spent up to now is 145.0 secs Computing kpt #: 236 total cpu time spent up to now is 145.6 secs Computing kpt #: 237 total cpu time spent up to now is 146.2 secs Computing kpt #: 238 total cpu time spent up to now is 146.7 secs Computing kpt #: 239 total cpu time spent up to now is 147.3 secs Computing kpt #: 240 total cpu time spent up to now is 147.9 secs Computing kpt #: 241 total cpu time spent up to now is 148.4 secs Computing kpt #: 242 total cpu time spent up to now is 149.0 secs Computing kpt #: 243 total cpu time spent up to now is 149.6 secs Computing kpt #: 244 total cpu time spent up to now is 150.2 secs Computing kpt #: 245 total cpu time spent up to now is 150.8 secs Computing kpt #: 246 total cpu time spent up to now is 151.3 secs Computing kpt #: 247 total cpu time spent up to now is 151.9 secs Computing kpt #: 248 total cpu time spent up to now is 152.5 secs Computing kpt #: 249 total cpu time spent up to now is 153.1 secs Computing kpt #: 250 total cpu time spent up to now is 153.6 secs Computing kpt #: 251 total cpu time spent up to now is 154.2 secs Computing kpt #: 252 total cpu time spent up to now is 154.8 secs Computing kpt #: 253 total cpu time spent up to now is 155.4 secs Computing kpt #: 254 total cpu time spent up to now is 156.0 secs Computing kpt #: 255 total cpu time spent up to now is 156.6 secs Computing kpt #: 256 total cpu time spent up to now is 157.3 secs Computing kpt #: 257 total cpu time spent up to now is 158.0 secs Computing kpt #: 258 total cpu time spent up to now is 158.8 secs Computing kpt #: 259 total cpu time spent up to now is 159.4 secs Computing kpt #: 260 total cpu time spent up to now is 160.0 secs Computing kpt #: 261 total cpu time spent up to now is 160.6 secs Computing kpt #: 262 total cpu time spent up to now is 161.2 secs Computing kpt #: 263 total cpu time spent up to now is 161.8 secs Computing kpt #: 264 total cpu time spent up to now is 162.6 secs Computing kpt #: 265 total cpu time spent up to now is 163.2 secs Computing kpt #: 266 total cpu time spent up to now is 163.9 secs Computing kpt #: 267 total cpu time spent up to now is 164.5 secs Computing kpt #: 268 total cpu time spent up to now is 165.2 secs Computing kpt #: 269 total cpu time spent up to now is 165.8 secs Computing kpt #: 270 total cpu time spent up to now is 166.4 secs Computing kpt #: 271 total cpu time spent up to now is 167.0 secs Computing kpt #: 272 total cpu time spent up to now is 167.6 secs Computing kpt #: 273 total cpu time spent up to now is 168.3 secs Computing kpt #: 274 total cpu time spent up to now is 169.0 secs Computing kpt #: 275 total cpu time spent up to now is 169.6 secs Computing kpt #: 276 total cpu time spent up to now is 170.4 secs Computing kpt #: 277 total cpu time spent up to now is 171.0 secs Computing kpt #: 278 total cpu time spent up to now is 171.5 secs Computing kpt #: 279 total cpu time spent up to now is 172.1 secs Computing kpt #: 280 total cpu time spent up to now is 172.6 secs Computing kpt #: 281 total cpu time spent up to now is 173.1 secs Computing kpt #: 282 total cpu time spent up to now is 173.6 secs Computing kpt #: 283 total cpu time spent up to now is 174.2 secs Computing kpt #: 284 total cpu time spent up to now is 174.8 secs Computing kpt #: 285 total cpu time spent up to now is 175.4 secs Computing kpt #: 286 total cpu time spent up to now is 175.9 secs Computing kpt #: 287 total cpu time spent up to now is 176.5 secs Computing kpt #: 288 total cpu time spent up to now is 177.0 secs Computing kpt #: 289 total cpu time spent up to now is 177.6 secs Computing kpt #: 290 total cpu time spent up to now is 178.2 secs Computing kpt #: 291 total cpu time spent up to now is 178.7 secs Computing kpt #: 292 total cpu time spent up to now is 179.3 secs Computing kpt #: 293 total cpu time spent up to now is 179.9 secs Computing kpt #: 294 total cpu time spent up to now is 180.4 secs Computing kpt #: 295 total cpu time spent up to now is 181.0 secs Computing kpt #: 296 total cpu time spent up to now is 181.6 secs Computing kpt #: 297 total cpu time spent up to now is 182.2 secs Computing kpt #: 298 total cpu time spent up to now is 182.8 secs Computing kpt #: 299 total cpu time spent up to now is 183.4 secs Computing kpt #: 300 total cpu time spent up to now is 184.1 secs Computing kpt #: 301 total cpu time spent up to now is 184.7 secs Computing kpt #: 302 total cpu time spent up to now is 185.4 secs ethr = 1.92E-08, avg # of iterations = 19.9 total cpu time spent up to now is 185.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1033 -9.1033 -9.0335 -9.0335 -8.0545 -8.0545 -7.9010 -7.9010 -7.8806 -7.8806 -7.8616 -7.8616 -2.3372 -2.3372 -1.6942 -1.6942 4.8291 4.8291 5.0254 5.0254 5.1121 5.1121 5.2087 5.2087 5.3059 5.3059 5.8116 5.8116 6.0657 6.0657 6.0888 6.0888 6.1311 6.1311 6.2647 6.2647 6.3680 6.3680 7.7525 7.7525 8.6574 8.6574 8.6786 8.6786 9.3641 9.3641 9.4421 9.4421 9.6275 9.6275 10.1703 10.1703 10.2856 10.2856 11.3083 11.3083 11.3263 11.3263 k = 0.0116 0.0067-0.0000 ( 4763 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1034 -9.1034 -9.0336 -9.0336 -8.0545 -8.0545 -7.9010 -7.9010 -7.8809 -7.8809 -7.8618 -7.8618 -2.3361 -2.3361 -1.6939 -1.6939 4.8303 4.8303 5.0254 5.0254 5.1120 5.1120 5.2084 5.2084 5.3053 5.3053 5.8119 5.8119 6.0659 6.0659 6.0887 6.0887 6.1309 6.1309 6.2649 6.2649 6.3680 6.3680 7.7523 7.7523 8.6492 8.6492 8.6729 8.6729 9.3285 9.3285 9.4132 9.4132 9.6781 9.6781 10.1829 10.1829 10.2897 10.2897 11.3166 11.3166 11.3341 11.3341 k = 0.0233 0.0134-0.0000 ( 4759 PWs) bands (ev): -26.2389 -26.2389 -26.2316 -26.2316 -9.1034 -9.1034 -9.0339 -9.0339 -8.0544 -8.0544 -7.9012 -7.9012 -7.8815 -7.8815 -7.8623 -7.8623 -2.3327 -2.3327 -1.6933 -1.6933 4.8341 4.8341 5.0256 5.0256 5.1117 5.1117 5.2073 5.2073 5.3037 5.3037 5.8127 5.8127 6.0663 6.0663 6.0886 6.0886 6.1303 6.1303 6.2656 6.2656 6.3680 6.3680 7.7517 7.7517 8.6170 8.6170 8.6648 8.6648 9.2296 9.2296 9.3811 9.3811 9.7675 9.7675 10.2194 10.2194 10.3022 10.3022 11.3416 11.3416 11.3576 11.3576 k = 0.0349 0.0201-0.0000 ( 4767 PWs) bands (ev): -26.2388 -26.2388 -26.2315 -26.2315 -9.1035 -9.1035 -9.0344 -9.0344 -8.0544 -8.0544 -7.9014 -7.9014 -7.8826 -7.8826 -7.8632 -7.8632 -2.3271 -2.3271 -1.6922 -1.6922 4.8402 4.8402 5.0257 5.0257 5.1114 5.1114 5.2051 5.2051 5.3014 5.3014 5.8139 5.8139 6.0671 6.0671 6.0883 6.0883 6.1295 6.1295 6.2666 6.2666 6.3680 6.3680 7.7508 7.7508 8.5615 8.5615 8.6570 8.6570 9.1077 9.1077 9.3458 9.3458 9.8552 9.8552 10.2741 10.2741 10.3257 10.3257 11.3823 11.3823 11.3969 11.3969 k = 0.0465 0.0269-0.0000 ( 4769 PWs) bands (ev): -26.2387 -26.2387 -26.2315 -26.2315 -9.1037 -9.1037 -9.0350 -9.0350 -8.0543 -8.0543 -7.9018 -7.9018 -7.8840 -7.8840 -7.8644 -7.8644 -2.3193 -2.3193 -1.6906 -1.6906 4.8488 4.8488 5.0256 5.0256 5.1112 5.1112 5.2013 5.2013 5.2990 5.2990 5.8157 5.8157 6.0682 6.0682 6.0878 6.0878 6.1283 6.1283 6.2682 6.2682 6.3680 6.3680 7.7496 7.7496 8.4890 8.4890 8.6475 8.6475 8.9789 8.9789 9.3017 9.3017 9.9317 9.9317 10.3251 10.3251 10.3782 10.3782 11.4363 11.4363 11.4534 11.4534 k = 0.0581 0.0336-0.0000 ( 4765 PWs) bands (ev): -26.2385 -26.2385 -26.2313 -26.2313 -9.1039 -9.1039 -9.0359 -9.0359 -8.0541 -8.0541 -7.9023 -7.9023 -7.8857 -7.8857 -7.8659 -7.8659 -2.3093 -2.3093 -1.6886 -1.6886 4.8597 4.8597 5.0249 5.0249 5.1113 5.1113 5.1954 5.1954 5.2972 5.2972 5.8178 5.8178 6.0697 6.0697 6.0870 6.0870 6.1271 6.1271 6.2702 6.2702 6.3681 6.3681 7.7481 7.7481 8.4039 8.4039 8.6357 8.6357 8.8478 8.8478 9.2491 9.2491 9.9948 9.9948 10.3580 10.3580 10.4687 10.4687 11.5002 11.5002 11.5285 11.5285 k = 0.0698 0.0403-0.0000 ( 4765 PWs) bands (ev): -26.2384 -26.2384 -26.2312 -26.2312 -9.1042 -9.1042 -9.0369 -9.0369 -8.0540 -8.0540 -7.9031 -7.9031 -7.8877 -7.8877 -7.8677 -7.8677 -2.2971 -2.2971 -1.6862 -1.6862 4.8727 4.8727 5.0234 5.0234 5.1119 5.1119 5.1866 5.1866 5.2967 5.2967 5.8204 5.8204 6.0713 6.0713 6.0857 6.0857 6.1259 6.1259 6.2728 6.2728 6.3683 6.3683 7.7464 7.7464 8.3098 8.3098 8.6215 8.6215 8.7169 8.7169 9.1891 9.1891 10.0458 10.0458 10.3861 10.3861 10.5775 10.5775 11.5727 11.5727 11.6209 11.6209 k = 0.0814 0.0470-0.0000 ( 4755 PWs) bands (ev): -26.2382 -26.2382 -26.2310 -26.2310 -9.1045 -9.1045 -9.0382 -9.0382 -8.0538 -8.0538 -7.9043 -7.9043 -7.8897 -7.8897 -7.8698 -7.8698 -2.2828 -2.2828 -1.6833 -1.6833 4.8879 4.8879 5.0207 5.0207 5.1131 5.1131 5.1750 5.1750 5.2979 5.2979 5.8233 5.8233 6.0733 6.0733 6.0839 6.0839 6.1249 6.1249 6.2759 6.2759 6.3687 6.3687 7.7446 7.7446 8.2092 8.2092 8.5866 8.5866 8.6058 8.6058 9.1232 9.1232 10.0878 10.0878 10.4107 10.4107 10.6975 10.6975 11.6530 11.6530 11.7278 11.7278 k = 0.0930 0.0537-0.0000 ( 4759 PWs) bands (ev): -26.2380 -26.2380 -26.2308 -26.2308 -9.1048 -9.1048 -9.0395 -9.0395 -8.0536 -8.0536 -7.9060 -7.9060 -7.8917 -7.8917 -7.8722 -7.8722 -2.2665 -2.2665 -1.6800 -1.6800 4.9048 4.9048 5.0166 5.0166 5.1141 5.1141 5.1613 5.1613 5.3009 5.3009 5.8264 5.8264 6.0753 6.0753 6.0814 6.0814 6.1242 6.1242 6.2795 6.2795 6.3693 6.3693 7.7426 7.7426 8.1041 8.1041 8.4603 8.4603 8.5863 8.5863 9.0526 9.0526 10.1236 10.1236 10.4313 10.4313 10.8251 10.8251 11.7231 11.7231 11.7416 11.7416 k = 0.1047 0.0604-0.0000 ( 4761 PWs) bands (ev): -26.2377 -26.2377 -26.2306 -26.2306 -9.1053 -9.1053 -9.0411 -9.0411 -8.0533 -8.0533 -7.9084 -7.9084 -7.8933 -7.8933 -7.8748 -7.8748 -2.2483 -2.2483 -1.6763 -1.6763 4.9234 4.9234 5.0111 5.0111 5.1115 5.1115 5.1491 5.1491 5.3057 5.3057 5.8297 5.8297 6.0775 6.0775 6.0781 6.0781 6.1240 6.1240 6.2835 6.2835 6.3704 6.3704 7.7404 7.7404 7.9962 7.9962 8.3368 8.3368 8.5650 8.5650 8.9784 8.9784 10.1551 10.1551 10.4477 10.4477 10.9576 10.9576 11.6455 11.6455 11.8322 11.8322 k = 0.1163 0.0671-0.0000 ( 4765 PWs) bands (ev): -26.2375 -26.2375 -26.2303 -26.2303 -9.1057 -9.1057 -9.0428 -9.0428 -8.0531 -8.0531 -7.9115 -7.9115 -7.8947 -7.8947 -7.8777 -7.8777 -2.2281 -2.2281 -1.6722 -1.6722 4.9428 4.9428 5.0045 5.0045 5.0987 5.0987 5.1452 5.1452 5.3121 5.3121 5.8331 5.8331 6.0740 6.0740 6.0797 6.0797 6.1244 6.1244 6.2881 6.2881 6.3721 6.3721 7.7379 7.7379 7.8870 7.8870 8.2170 8.2170 8.5415 8.5415 8.9016 8.9016 10.1835 10.1835 10.4605 10.4605 11.0930 11.0930 11.5634 11.5634 11.9283 11.9283 k = 0.1279 0.0738-0.0000 ( 4769 PWs) bands (ev): -26.2372 -26.2372 -26.2300 -26.2300 -9.1062 -9.1062 -9.0447 -9.0447 -8.0528 -8.0528 -7.9153 -7.9153 -7.8957 -7.8957 -7.8808 -7.8808 -2.2061 -2.2061 -1.6676 -1.6676 4.9610 4.9610 4.9986 4.9986 5.0762 5.0762 5.1495 5.1495 5.3200 5.3200 5.8365 5.8365 6.0694 6.0694 6.0819 6.0819 6.1254 6.1254 6.2929 6.2929 6.3748 6.3748 7.7322 7.7322 7.7802 7.7802 8.1013 8.1013 8.5159 8.5159 8.8229 8.8229 10.2086 10.2086 10.4710 10.4710 11.2294 11.2294 11.4792 11.4792 12.0275 12.0275 k = 0.1395 0.0806-0.0000 ( 4773 PWs) bands (ev): -26.2369 -26.2369 -26.2298 -26.2298 -9.1068 -9.1068 -9.0467 -9.0467 -8.0526 -8.0526 -7.9196 -7.9196 -7.8964 -7.8964 -7.8841 -7.8841 -2.1823 -2.1823 -1.6626 -1.6626 4.9692 4.9692 5.0015 5.0015 5.0490 5.0490 5.1577 5.1577 5.3292 5.3292 5.8396 5.8396 6.0642 6.0642 6.0841 6.0841 6.1267 6.1267 6.2978 6.2978 6.3790 6.3790 7.6621 7.6621 7.7380 7.7380 7.9902 7.9902 8.4882 8.4882 8.7431 8.7431 10.2298 10.2298 10.4810 10.4810 11.3634 11.3634 11.3953 11.3953 12.1290 12.1290 k = 0.1512 0.0873-0.0000 ( 4771 PWs) bands (ev): -26.2365 -26.2365 -26.2294 -26.2294 -9.1074 -9.1074 -9.0489 -9.0489 -8.0523 -8.0523 -7.9244 -7.9244 -7.8970 -7.8970 -7.8875 -7.8875 -2.1569 -2.1569 -1.6572 -1.6572 4.9622 4.9622 5.0058 5.0058 5.0310 5.0310 5.1682 5.1682 5.3395 5.3395 5.8424 5.8424 6.0587 6.0587 6.0861 6.0861 6.1286 6.1286 6.3024 6.3024 6.3852 6.3852 7.5554 7.5554 7.7323 7.7323 7.8847 7.8847 8.4584 8.4584 8.6626 8.6626 10.2455 10.2455 10.4927 10.4927 11.3068 11.3068 11.4985 11.4985 12.2317 12.2317 k = 0.1628 0.0940-0.0000 ( 4771 PWs) bands (ev): -26.2362 -26.2362 -26.2291 -26.2291 -9.1081 -9.1081 -9.0512 -9.0512 -8.0520 -8.0520 -7.9295 -7.9295 -7.8975 -7.8975 -7.8911 -7.8911 -2.1300 -2.1300 -1.6513 -1.6513 4.9493 4.9493 4.9760 4.9760 5.0489 5.0489 5.1804 5.1804 5.3509 5.3509 5.8448 5.8448 6.0531 6.0531 6.0880 6.0880 6.1308 6.1308 6.3063 6.3063 6.3940 6.3940 7.4498 7.4498 7.7182 7.7182 7.7929 7.7929 8.4267 8.4267 8.5820 8.5820 10.2542 10.2542 10.5086 10.5086 11.2207 11.2207 11.6261 11.6261 12.3349 12.3349 k = 0.1744 0.1007-0.0000 ( 4759 PWs) bands (ev): -26.2358 -26.2358 -26.2288 -26.2288 -9.1089 -9.1089 -9.0536 -9.0536 -8.0517 -8.0517 -7.9349 -7.9349 -7.8980 -7.8980 -7.8947 -7.8947 -2.1017 -2.1017 -1.6451 -1.6451 4.9309 4.9309 4.9412 4.9412 5.0734 5.0734 5.1939 5.1939 5.3633 5.3633 5.8465 5.8465 6.0477 6.0477 6.0896 6.0896 6.1334 6.1334 6.3093 6.3093 6.4059 6.4059 7.3472 7.3472 7.6566 7.6566 7.7529 7.7529 8.3930 8.3930 8.5020 8.5020 10.2546 10.2546 10.5302 10.5302 11.1347 11.1347 11.7464 11.7464 12.4375 12.4375 k = 0.1860 0.1074-0.0000 ( 4759 PWs) bands (ev): -26.2354 -26.2354 -26.2284 -26.2284 -9.1097 -9.1097 -9.0561 -9.0561 -8.0515 -8.0515 -7.9406 -7.9406 -7.8990 -7.8990 -7.8978 -7.8978 -2.0721 -2.0721 -1.6384 -1.6384 4.8935 4.8935 4.9202 4.9202 5.0991 5.0991 5.2086 5.2086 5.3766 5.3766 5.8472 5.8472 6.0424 6.0424 6.0910 6.0910 6.1362 6.1362 6.3112 6.3112 6.4212 6.4212 7.2483 7.2483 7.5655 7.5655 7.7460 7.7460 8.3564 8.3564 8.4236 8.4236 10.2467 10.2467 10.5580 10.5580 11.0494 11.0494 11.8569 11.8569 12.5242 12.5242 k = 0.1977 0.1141-0.0000 ( 4763 PWs) bands (ev): -26.2350 -26.2350 -26.2280 -26.2280 -9.1105 -9.1105 -9.0587 -9.0587 -8.0513 -8.0513 -7.9464 -7.9464 -7.9025 -7.9025 -7.8984 -7.8984 -2.0414 -2.0414 -1.6314 -1.6314 4.8490 4.8490 4.9020 4.9020 5.1251 5.1251 5.2244 5.2244 5.3906 5.3906 5.8469 5.8469 6.0377 6.0377 6.0920 6.0920 6.1392 6.1392 6.3120 6.3120 6.4400 6.4400 7.1540 7.1540 7.4727 7.4727 7.7444 7.7444 8.3128 8.3128 8.3516 8.3516 10.2316 10.2316 10.5916 10.5916 10.9649 10.9649 11.9556 11.9556 12.5796 12.5796 k = 0.2093 0.1208-0.0000 ( 4771 PWs) bands (ev): -26.2346 -26.2346 -26.2277 -26.2277 -9.1114 -9.1114 -9.0614 -9.0614 -8.0511 -8.0511 -7.9523 -7.9523 -7.9063 -7.9063 -7.8987 -7.8987 -2.0097 -2.0097 -1.6239 -1.6239 4.8012 4.8012 4.8830 4.8830 5.1511 5.1511 5.2411 5.2411 5.4054 5.4054 5.8454 5.8454 6.0338 6.0338 6.0928 6.0928 6.1422 6.1422 6.3120 6.3120 6.4624 6.4624 7.0646 7.0646 7.3818 7.3818 7.7443 7.7443 8.2503 8.2503 8.2981 8.2981 10.2104 10.2104 10.6299 10.6299 10.8815 10.8815 12.0419 12.0419 12.6361 12.6361 k = 0.2209 0.1276-0.0000 ( 4767 PWs) bands (ev): -26.2342 -26.2342 -26.2273 -26.2273 -9.1123 -9.1123 -9.0642 -9.0642 -8.0509 -8.0509 -7.9584 -7.9584 -7.9101 -7.9101 -7.8989 -7.8989 -1.9773 -1.9773 -1.6159 -1.6159 4.7507 4.7507 4.8631 4.8631 5.1767 5.1767 5.2587 5.2587 5.4209 5.4209 5.8426 5.8426 6.0307 6.0307 6.0933 6.0933 6.1454 6.1454 6.3112 6.3112 6.4882 6.4882 6.9807 6.9807 7.2935 7.2935 7.7449 7.7449 8.1765 8.1765 8.2562 8.2562 10.1845 10.1845 10.6721 10.6721 10.7993 10.7993 12.1163 12.1163 12.6947 12.6947 k = 0.2326 0.1343-0.0000 ( 4761 PWs) bands (ev): -26.2338 -26.2338 -26.2269 -26.2269 -9.1133 -9.1133 -9.0670 -9.0670 -8.0508 -8.0508 -7.9644 -7.9644 -7.9139 -7.9139 -7.8992 -7.8992 -1.9442 -1.9442 -1.6075 -1.6075 4.6977 4.6977 4.8425 4.8425 5.2017 5.2017 5.2771 5.2771 5.4370 5.4370 5.8386 5.8386 6.0286 6.0286 6.0936 6.0936 6.1487 6.1487 6.3099 6.3099 6.5171 6.5171 6.9027 6.9027 7.2079 7.2079 7.7457 7.7457 8.1015 8.1015 8.2160 8.2160 10.1549 10.1549 10.7137 10.7137 10.7221 10.7221 12.1806 12.1806 12.7552 12.7552 k = 0.2442 0.1410-0.0000 ( 4761 PWs) bands (ev): -26.2334 -26.2334 -26.2265 -26.2265 -9.1143 -9.1143 -9.0699 -9.0699 -8.0508 -8.0508 -7.9705 -7.9705 -7.9176 -7.9176 -7.8994 -7.8994 -1.9108 -1.9108 -1.5986 -1.5986 4.6423 4.6423 4.8213 4.8213 5.2259 5.2259 5.2961 5.2961 5.4536 5.4536 5.8334 5.8334 6.0274 6.0274 6.0935 6.0935 6.1520 6.1520 6.3081 6.3081 6.5488 6.5488 6.8310 6.8310 7.1252 7.1252 7.7465 7.7465 8.0275 8.0275 8.1760 8.1760 10.1226 10.1226 10.6384 10.6384 10.7655 10.7655 12.2374 12.2374 12.8173 12.8173 k = 0.2558 0.1477-0.0000 ( 4757 PWs) bands (ev): -26.2330 -26.2330 -26.2261 -26.2261 -9.1154 -9.1154 -9.0727 -9.0727 -8.0508 -8.0508 -7.9765 -7.9765 -7.9212 -7.9212 -7.8995 -7.8995 -1.8773 -1.8773 -1.5891 -1.5891 4.5849 4.5849 4.7996 4.7996 5.2491 5.2491 5.3158 5.3158 5.4707 5.4707 5.8271 5.8271 6.0271 6.0271 6.0932 6.0932 6.1554 6.1554 6.3060 6.3060 6.5819 6.5819 6.7670 6.7670 7.0454 7.0454 7.7466 7.7466 7.9556 7.9556 8.1358 8.1358 10.0884 10.0884 10.5601 10.5601 10.8153 10.8153 12.2894 12.2894 12.8802 12.8802 k = 0.2674 0.1544-0.0000 ( 4747 PWs) bands (ev): -26.2326 -26.2326 -26.2257 -26.2257 -9.1164 -9.1164 -9.0756 -9.0756 -8.0509 -8.0509 -7.9825 -7.9825 -7.9247 -7.9247 -7.8997 -7.8997 -1.8439 -1.8439 -1.5790 -1.5790 4.5259 4.5259 4.7776 4.7776 5.2711 5.2711 5.3360 5.3360 5.4881 5.4881 5.8200 5.8200 6.0276 6.0276 6.0926 6.0926 6.1588 6.1588 6.3037 6.3037 6.6110 6.6110 6.7159 6.7159 6.9686 6.9686 7.7446 7.7446 7.8874 7.8874 8.0955 8.0955 10.0530 10.0530 10.4831 10.4831 10.8666 10.8666 12.3387 12.3387 12.9099 12.9099 k = 0.2791 0.1611-0.0000 ( 4757 PWs) bands (ev): -26.2322 -26.2322 -26.2253 -26.2253 -9.1175 -9.1175 -9.0785 -9.0785 -8.0511 -8.0511 -7.9884 -7.9884 -7.9280 -7.9280 -7.8998 -7.8998 -1.8110 -1.8110 -1.5681 -1.5681 4.4656 4.4656 4.7555 4.7555 5.2916 5.2916 5.3567 5.3567 5.5057 5.5057 5.8122 5.8122 6.0285 6.0285 6.0919 6.0919 6.1621 6.1621 6.3011 6.3011 6.6109 6.6109 6.7023 6.7023 6.8951 6.8951 7.7354 7.7354 7.8280 7.8280 8.0552 8.0552 10.0168 10.0168 10.4074 10.4074 10.9191 10.9191 12.3872 12.3872 12.8560 12.8560 k = 0.2907 0.1678-0.0000 ( 4753 PWs) bands (ev): -26.2318 -26.2318 -26.2249 -26.2249 -9.1186 -9.1186 -9.0814 -9.0814 -8.0513 -8.0513 -7.9941 -7.9941 -7.9312 -7.9312 -7.9000 -7.9000 -1.7790 -1.7790 -1.5564 -1.5564 4.4043 4.4043 4.7335 4.7335 5.3106 5.3106 5.3781 5.3781 5.5235 5.5235 5.8041 5.8041 6.0300 6.0300 6.0910 6.0910 6.1655 6.1655 6.2985 6.2985 6.5751 6.5751 6.7312 6.7312 6.8262 6.8262 7.7050 7.7050 7.7915 7.7915 8.0151 8.0151 9.9806 9.9806 10.3331 10.3331 10.9724 10.9724 12.4361 12.4361 12.8037 12.8037 k = 0.3023 0.1745-0.0000 ( 4751 PWs) bands (ev): -26.2313 -26.2313 -26.2246 -26.2246 -9.1198 -9.1198 -9.0842 -9.0842 -8.0517 -8.0517 -7.9997 -7.9997 -7.9341 -7.9341 -7.9001 -7.9001 -1.7482 -1.7482 -1.5435 -1.5435 4.3427 4.3427 4.7117 4.7117 5.3279 5.3279 5.3998 5.3998 5.5413 5.5413 5.7957 5.7957 6.0317 6.0317 6.0899 6.0899 6.1688 6.1688 6.2958 6.2958 6.5335 6.5335 6.7448 6.7448 6.7895 6.7895 7.6520 7.6520 7.7794 7.7794 7.9753 7.9753 9.9445 9.9445 10.2600 10.2600 11.0261 11.0261 12.4861 12.4861 12.7544 12.7544 k = 0.3140 0.1813-0.0000 ( 4757 PWs) bands (ev): -26.2310 -26.2310 -26.2242 -26.2242 -9.1209 -9.1209 -9.0870 -9.0870 -8.0521 -8.0521 -8.0051 -8.0051 -7.9369 -7.9369 -7.9002 -7.9002 -1.7192 -1.7192 -1.5294 -1.5294 4.2811 4.2811 4.6903 4.6903 5.3434 5.3434 5.4220 5.4220 5.5589 5.5589 5.7875 5.7875 6.0336 6.0336 6.0888 6.0888 6.1719 6.1719 6.2930 6.2930 6.4940 6.4940 6.6878 6.6878 6.8315 6.8315 7.5920 7.5920 7.7760 7.7760 7.9362 7.9362 9.9092 9.9092 10.1884 10.1884 11.0798 11.0798 12.5376 12.5376 12.7085 12.7085 k = 0.3256 0.1880-0.0000 ( 4755 PWs) bands (ev): -26.2306 -26.2306 -26.2239 -26.2239 -9.1220 -9.1220 -9.0897 -9.0897 -8.0527 -8.0527 -8.0102 -8.0102 -7.9394 -7.9394 -7.9003 -7.9003 -1.6925 -1.6925 -1.5138 -1.5138 4.2200 4.2200 4.6694 4.6694 5.3571 5.3571 5.4445 5.4445 5.5765 5.5765 5.7796 5.7796 6.0354 6.0354 6.0877 6.0877 6.1750 6.1750 6.2902 6.2902 6.4581 6.4581 6.6279 6.6279 6.8830 6.8830 7.5314 7.5314 7.7750 7.7750 7.8979 7.8979 9.8748 9.8748 10.1181 10.1181 11.1332 11.1332 12.5903 12.5903 12.6664 12.6664 k = 0.3372 0.1947-0.0000 ( 4767 PWs) bands (ev): -26.2302 -26.2302 -26.2235 -26.2235 -9.1231 -9.1231 -9.0923 -9.0923 -8.0533 -8.0533 -8.0151 -8.0151 -7.9418 -7.9418 -7.9004 -7.9004 -1.6683 -1.6683 -1.4965 -1.4965 4.1600 4.1600 4.6493 4.6493 5.3689 5.3689 5.4672 5.4672 5.5936 5.5936 5.7721 5.7721 6.0371 6.0371 6.0866 6.0866 6.1778 6.1778 6.2873 6.2873 6.4257 6.4257 6.5711 6.5711 6.9373 6.9373 7.4721 7.4721 7.7743 7.7743 7.8608 7.8608 9.8418 9.8418 10.0492 10.0492 11.1858 11.1858 12.6275 12.6275 12.6447 12.6447 k = 0.3488 0.2014-0.0000 ( 4759 PWs) bands (ev): -26.2299 -26.2299 -26.2232 -26.2232 -9.1242 -9.1242 -9.0948 -9.0948 -8.0540 -8.0540 -8.0198 -8.0198 -7.9439 -7.9439 -7.9004 -7.9004 -1.6469 -1.6469 -1.4776 -1.4776 4.1016 4.1016 4.6300 4.6300 5.3791 5.3791 5.4900 5.4900 5.6103 5.6103 5.7653 5.7653 6.0387 6.0387 6.0856 6.0856 6.1806 6.1806 6.2844 6.2844 6.3966 6.3966 6.5183 6.5183 6.9935 6.9935 7.4149 7.4149 7.7730 7.7730 7.8255 7.8255 9.8102 9.8102 9.9821 9.9821 11.2374 11.2374 12.5946 12.5946 12.6973 12.6973 k = 0.3605 0.2081-0.0000 ( 4767 PWs) bands (ev): -26.2295 -26.2295 -26.2229 -26.2229 -9.1252 -9.1252 -9.0972 -9.0972 -8.0547 -8.0547 -8.0242 -8.0242 -7.9458 -7.9458 -7.9005 -7.9005 -1.6284 -1.6284 -1.4574 -1.4574 4.0452 4.0452 4.6116 4.6116 5.3875 5.3875 5.5127 5.5127 5.6263 5.6263 5.7592 5.7592 6.0399 6.0399 6.0848 6.0848 6.1830 6.1830 6.2813 6.2813 6.3704 6.3704 6.4698 6.4698 7.0509 7.0509 7.3601 7.3601 7.7684 7.7684 7.7944 7.7944 9.7802 9.7802 9.9167 9.9167 11.2876 11.2876 12.5655 12.5655 12.7484 12.7484 k = 0.3721 0.2148-0.0000 ( 4763 PWs) bands (ev): -26.2292 -26.2292 -26.2226 -26.2226 -9.1262 -9.1262 -9.0994 -9.0994 -8.0556 -8.0556 -8.0282 -8.0282 -7.9474 -7.9474 -7.9006 -7.9006 -1.6126 -1.6126 -1.4363 -1.4363 3.9913 3.9913 4.5943 4.5943 5.3945 5.3945 5.5352 5.5352 5.6415 5.6415 5.7538 5.7538 6.0407 6.0407 6.0843 6.0843 6.1852 6.1852 6.2778 6.2778 6.3466 6.3466 6.4264 6.4264 7.1089 7.1089 7.3081 7.3081 7.7496 7.7496 7.7786 7.7786 9.7520 9.7520 9.8536 9.8536 11.3360 11.3360 12.5408 12.5408 12.7954 12.7954 k = 0.3837 0.2215-0.0000 ( 4759 PWs) bands (ev): -26.2289 -26.2289 -26.2223 -26.2223 -9.1271 -9.1271 -9.1015 -9.1015 -8.0564 -8.0564 -8.0319 -8.0319 -7.9489 -7.9489 -7.9006 -7.9006 -1.5992 -1.5992 -1.4148 -1.4148 3.9404 3.9404 4.5783 4.5783 5.4001 5.4001 5.5572 5.5572 5.6557 5.6557 5.7493 5.7493 6.0410 6.0410 6.0841 6.0841 6.1869 6.1869 6.2733 6.2733 6.3248 6.3248 6.3893 6.3893 7.1669 7.1669 7.2592 7.2592 7.7209 7.7209 7.7736 7.7736 9.7254 9.7254 9.7933 9.7933 11.3822 11.3822 12.5205 12.5205 12.8357 12.8357 k = 0.3953 0.2283-0.0000 ( 4759 PWs) bands (ev): -26.2287 -26.2287 -26.2221 -26.2221 -9.1280 -9.1280 -9.1035 -9.1035 -8.0573 -8.0573 -8.0353 -8.0353 -7.9502 -7.9502 -7.9006 -7.9006 -1.5878 -1.5878 -1.3936 -1.3936 3.8930 3.8930 4.5635 4.5635 5.4044 5.4044 5.5784 5.5784 5.6687 5.6687 5.7458 5.7458 6.0409 6.0409 6.0842 6.0842 6.1881 6.1881 6.2665 6.2665 6.3052 6.3052 6.3593 6.3593 7.2110 7.2110 7.2272 7.2272 7.6925 7.6925 7.7694 7.7694 9.6994 9.6994 9.7374 9.7374 11.4258 11.4258 12.5042 12.5042 12.8672 12.8672 k = 0.4070 0.2350-0.0000 ( 4757 PWs) bands (ev): -26.2284 -26.2284 -26.2218 -26.2218 -9.1288 -9.1288 -9.1053 -9.1053 -8.0582 -8.0582 -8.0383 -8.0383 -7.9513 -7.9513 -7.9007 -7.9007 -1.5782 -1.5782 -1.3733 -1.3733 3.8493 3.8493 4.5500 4.5500 5.4077 5.4077 5.5987 5.5987 5.6802 5.6802 5.7430 5.7430 6.0403 6.0403 6.0848 6.0848 6.1881 6.1881 6.2552 6.2552 6.2899 6.2899 6.3370 6.3370 7.1707 7.1707 7.2820 7.2820 7.6660 7.6660 7.7644 7.7644 9.6668 9.6668 9.6935 9.6935 11.4665 11.4665 12.4918 12.4918 12.8889 12.8889 k = 0.4186 0.2417-0.0000 ( 4759 PWs) bands (ev): -26.2282 -26.2282 -26.2216 -26.2216 -9.1296 -9.1296 -9.1068 -9.1068 -8.0591 -8.0591 -8.0409 -8.0409 -7.9522 -7.9522 -7.9007 -7.9007 -1.5701 -1.5701 -1.3542 -1.3542 3.8098 3.8098 4.5380 4.5380 5.4100 5.4100 5.6178 5.6178 5.6901 5.6901 5.7413 5.7413 6.0393 6.0393 6.0859 6.0859 6.1859 6.1859 6.2405 6.2405 6.2796 6.2796 6.3214 6.3214 7.1325 7.1325 7.3369 7.3369 7.6419 7.6419 7.7580 7.7580 9.6218 9.6218 9.6683 9.6683 11.5038 11.5038 12.4827 12.4827 12.9014 12.9014 k = 0.4302 0.2484-0.0000 ( 4757 PWs) bands (ev): -26.2280 -26.2280 -26.2214 -26.2214 -9.1302 -9.1302 -9.1083 -9.1083 -8.0599 -8.0599 -8.0432 -8.0432 -7.9530 -7.9530 -7.9007 -7.9007 -1.5633 -1.5633 -1.3369 -1.3369 3.7749 3.7749 4.5275 4.5275 5.4116 5.4116 5.6353 5.6353 5.6981 5.6981 5.7406 5.7406 6.0379 6.0379 6.0873 6.0873 6.1798 6.1798 6.2280 6.2280 6.2719 6.2719 6.3110 6.3110 7.0985 7.0985 7.3897 7.3897 7.6205 7.6205 7.7499 7.7499 9.5767 9.5767 9.6503 9.6503 11.5374 11.5374 12.4764 12.4764 12.9067 12.9067 k = 0.4419 0.2551-0.0000 ( 4749 PWs) bands (ev): -26.2279 -26.2279 -26.2213 -26.2213 -9.1308 -9.1308 -9.1095 -9.1095 -8.0607 -8.0607 -8.0451 -8.0451 -7.9536 -7.9536 -7.9008 -7.9008 -1.5578 -1.5578 -1.3218 -1.3218 3.7448 3.7448 4.5185 4.5185 5.4127 5.4127 5.6511 5.6511 5.7038 5.7038 5.7410 5.7410 6.0363 6.0363 6.0891 6.0891 6.1691 6.1691 6.2213 6.2213 6.2650 6.2650 6.3045 6.3045 7.0689 7.0689 7.4395 7.4395 7.6023 7.6023 7.7398 7.7398 9.5359 9.5359 9.6356 9.6356 11.5667 11.5667 12.4725 12.4725 12.9068 12.9068 k = 0.4535 0.2618-0.0000 ( 4754 PWs) bands (ev): -26.2277 -26.2277 -26.2212 -26.2212 -9.1312 -9.1312 -9.1104 -9.1104 -8.0614 -8.0614 -8.0466 -8.0466 -7.9541 -7.9541 -7.9008 -7.9008 -1.5533 -1.5533 -1.3089 -1.3089 3.7199 3.7199 4.5111 4.5111 5.4133 5.4133 5.6649 5.6649 5.7073 5.7073 5.7423 5.7423 6.0346 6.0346 6.0914 6.0914 6.1565 6.1565 6.2190 6.2190 6.2586 6.2586 6.3004 6.3004 7.0442 7.0442 7.4853 7.4853 7.5878 7.5878 7.7273 7.7273 9.5009 9.5009 9.6238 9.6238 11.5914 11.5914 12.4703 12.4703 12.9041 12.9041 k = 0.4651 0.2685-0.0000 ( 4756 PWs) bands (ev): -26.2276 -26.2276 -26.2211 -26.2211 -9.1316 -9.1316 -9.1112 -9.1112 -8.0620 -8.0620 -8.0478 -8.0478 -7.9544 -7.9544 -7.9008 -7.9008 -1.5499 -1.5499 -1.2988 -1.2988 3.7002 3.7002 4.5053 4.5053 5.4137 5.4137 5.6764 5.6764 5.7090 5.7090 5.7441 5.7441 6.0329 6.0329 6.0939 6.0939 6.1445 6.1445 6.2190 6.2190 6.2528 6.2528 6.2979 6.2979 7.0246 7.0246 7.5251 7.5251 7.5788 7.5788 7.7121 7.7121 9.4727 9.4727 9.6146 9.6146 11.6111 11.6111 12.4693 12.4693 12.9002 12.9002 k = 0.4767 0.2752-0.0000 ( 4762 PWs) bands (ev): -26.2275 -26.2275 -26.2210 -26.2210 -9.1319 -9.1319 -9.1118 -9.1118 -8.0624 -8.0624 -8.0486 -8.0486 -7.9547 -7.9547 -7.9008 -7.9008 -1.5475 -1.5475 -1.2914 -1.2914 3.6860 3.6860 4.5012 4.5012 5.4139 5.4139 5.6854 5.6854 5.7091 5.7091 5.7459 5.7459 6.0315 6.0315 6.0967 6.0967 6.1346 6.1346 6.2200 6.2200 6.2482 6.2482 6.2964 6.2964 7.0104 7.0104 7.5489 7.5489 7.5847 7.5847 7.6941 7.6941 9.4519 9.4519 9.6080 9.6080 11.6255 11.6255 12.4689 12.4689 12.8965 12.8965 k = 0.4884 0.2820-0.0000 ( 4762 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1320 -9.1320 -9.1121 -9.1121 -8.0627 -8.0627 -8.0491 -8.0491 -7.9549 -7.9549 -7.9008 -7.9008 -1.5461 -1.5461 -1.2869 -1.2869 3.6775 3.6775 4.4987 4.4987 5.4140 5.4140 5.6916 5.6916 5.7083 5.7083 5.7472 5.7472 6.0305 6.0305 6.0992 6.0992 6.1277 6.1277 6.2210 6.2210 6.2450 6.2450 6.2956 6.2956 7.0018 7.0018 7.5515 7.5515 7.6093 7.6093 7.6741 7.6741 9.4392 9.4392 9.6041 9.6041 11.6342 11.6342 12.4689 12.4689 12.8939 12.8939 k = 0.5000 0.2887-0.0000 ( 4760 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1122 -9.1122 -8.0628 -8.0628 -8.0493 -8.0493 -7.9549 -7.9549 -7.9008 -7.9008 -1.5456 -1.5456 -1.2854 -1.2854 3.6746 3.6746 4.4978 4.4978 5.4140 5.4140 5.6940 5.6940 5.7077 5.7077 5.7476 5.7476 6.0302 6.0302 6.1003 6.1003 6.1251 6.1251 6.2215 6.2215 6.2439 6.2439 6.2954 6.2954 6.9989 6.9989 7.5510 7.5510 7.6259 7.6259 7.6604 7.6604 9.4349 9.4349 9.6028 9.6028 11.6371 11.6371 12.4689 12.4689 12.8930 12.8930 k = 0.5000 0.2887-0.0000 ( 4760 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1122 -9.1122 -8.0628 -8.0628 -8.0493 -8.0493 -7.9549 -7.9549 -7.9008 -7.9008 -1.5456 -1.5456 -1.2854 -1.2854 3.6746 3.6746 4.4978 4.4978 5.4140 5.4140 5.6940 5.6940 5.7077 5.7077 5.7476 5.7476 6.0302 6.0302 6.1003 6.1003 6.1251 6.1251 6.2215 6.2215 6.2439 6.2439 6.2954 6.2954 6.9989 6.9989 7.5510 7.5510 7.6259 7.6259 7.6604 7.6604 9.4349 9.4349 9.6028 9.6028 11.6371 11.6371 12.4689 12.4689 12.8930 12.8930 k = 0.4933 0.3002-0.0000 ( 4756 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1122 -9.1122 -8.0627 -8.0627 -8.0493 -8.0493 -7.9551 -7.9551 -7.9009 -7.9009 -1.5450 -1.5450 -1.2854 -1.2854 3.6761 3.6761 4.4970 4.4970 5.4146 5.4146 5.6944 5.6944 5.7077 5.7077 5.7471 5.7471 6.0302 6.0302 6.1003 6.1003 6.1245 6.1245 6.2214 6.2214 6.2440 6.2440 6.2951 6.2951 6.9971 6.9971 7.5418 7.5418 7.6264 7.6264 7.6600 7.6600 9.4370 9.4370 9.6141 9.6141 11.6410 11.6410 12.4513 12.4513 12.8971 12.8971 k = 0.4867 0.3118-0.0000 ( 4756 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1123 -9.1123 -8.0625 -8.0625 -8.0492 -8.0492 -7.9555 -7.9555 -7.9012 -7.9012 -1.5433 -1.5433 -1.2854 -1.2854 3.6805 3.6805 4.4944 4.4944 5.4165 5.4165 5.6952 5.6952 5.7078 5.7078 5.7454 5.7454 6.0300 6.0300 6.1003 6.1003 6.1224 6.1224 6.2212 6.2212 6.2444 6.2444 6.2940 6.2940 6.9917 6.9917 7.5148 7.5148 7.6280 7.6280 7.6592 7.6592 9.4434 9.4434 9.6474 9.6474 11.6524 11.6524 12.4023 12.4023 12.9096 12.9096 k = 0.4800 0.3233-0.0000 ( 4754 PWs) bands (ev): -26.2274 -26.2274 -26.2209 -26.2209 -9.1321 -9.1321 -9.1124 -9.1124 -8.0621 -8.0621 -8.0491 -8.0491 -7.9562 -7.9562 -7.9018 -7.9018 -1.5405 -1.5405 -1.2855 -1.2855 3.6878 3.6878 4.4902 4.4902 5.4196 5.4196 5.6958 5.6958 5.7086 5.7086 5.7428 5.7428 6.0296 6.0296 6.1002 6.1002 6.1190 6.1190 6.2209 6.2209 6.2450 6.2450 6.2923 6.2923 6.9828 6.9828 7.4712 7.4712 7.6305 7.6305 7.6588 7.6588 9.4540 9.4540 9.7006 9.7006 11.6710 11.6710 12.3307 12.3307 12.9303 12.9303 k = 0.4733 0.3349-0.0000 ( 4762 PWs) bands (ev): -26.2274 -26.2274 -26.2209 -26.2209 -9.1322 -9.1322 -9.1125 -9.1125 -8.0616 -8.0616 -8.0490 -8.0490 -7.9572 -7.9572 -7.9026 -7.9026 -1.5366 -1.5366 -1.2857 -1.2857 3.6980 3.6980 4.4843 4.4843 5.4240 5.4240 5.6951 5.6951 5.7108 5.7108 5.7393 5.7393 6.0288 6.0288 6.1002 6.1002 6.1143 6.1143 6.2203 6.2203 6.2457 6.2457 6.2900 6.2900 6.9705 6.9705 7.4140 7.4140 7.6340 7.6340 7.6589 7.6589 9.4686 9.4686 9.7710 9.7710 11.6964 11.6964 12.2449 12.2449 12.9590 12.9590 k = 0.4667 0.3464-0.0000 ( 4762 PWs) bands (ev): -26.2274 -26.2274 -26.2208 -26.2208 -9.1322 -9.1322 -9.1126 -9.1126 -8.0610 -8.0610 -8.0488 -8.0488 -7.9584 -7.9584 -7.9035 -7.9035 -1.5316 -1.5316 -1.2859 -1.2859 3.7110 3.7110 4.4770 4.4770 5.4294 5.4294 5.6929 5.6929 5.7136 5.7136 5.7359 5.7359 6.0276 6.0276 6.1003 6.1003 6.1085 6.1085 6.2197 6.2197 6.2467 6.2467 6.2871 6.2871 6.9549 6.9549 7.3463 7.3463 7.6384 7.6384 7.6597 7.6597 9.4873 9.4873 9.8555 9.8555 11.7276 11.7276 12.1507 12.1507 12.9957 12.9957 k = 0.4600 0.3580-0.0000 ( 4762 PWs) bands (ev): -26.2273 -26.2273 -26.2208 -26.2208 -9.1323 -9.1323 -9.1127 -9.1127 -8.0602 -8.0602 -8.0486 -8.0486 -7.9599 -7.9599 -7.9047 -7.9047 -1.5256 -1.5256 -1.2862 -1.2862 3.7269 3.7269 4.4682 4.4682 5.4359 5.4359 5.6894 5.6894 5.7139 5.7139 5.7353 5.7353 6.0258 6.0258 6.0992 6.0992 6.1028 6.1028 6.2189 6.2189 6.2480 6.2480 6.2837 6.2837 6.9364 6.9364 7.2716 7.2716 7.6436 7.6436 7.6610 7.6610 9.5099 9.5099 9.9512 9.9512 11.7635 11.7635 12.0523 12.0523 13.0399 13.0399 k = 0.4533 0.3695-0.0000 ( 4756 PWs) bands (ev): -26.2272 -26.2272 -26.2207 -26.2207 -9.1323 -9.1323 -9.1129 -9.1129 -8.0594 -8.0594 -8.0483 -8.0483 -7.9616 -7.9616 -7.9060 -7.9060 -1.5187 -1.5187 -1.2866 -1.2866 3.7454 3.7454 4.4581 4.4581 5.4434 5.4434 5.6847 5.6847 5.7087 5.7087 5.7400 5.7400 6.0231 6.0231 6.0921 6.0921 6.1025 6.1025 6.2179 6.2179 6.2494 6.2494 6.2799 6.2799 6.9149 6.9149 7.1931 7.1931 7.6493 7.6493 7.6631 7.6631 9.5363 9.5363 10.0554 10.0554 11.8014 11.8014 11.9535 11.9535 13.0912 13.0912 k = 0.4467 0.3811-0.0000 ( 4754 PWs) bands (ev): -26.2272 -26.2272 -26.2206 -26.2206 -9.1324 -9.1324 -9.1131 -9.1131 -8.0584 -8.0584 -8.0480 -8.0480 -7.9636 -7.9636 -7.9074 -7.9074 -1.5108 -1.5108 -1.2871 -1.2871 3.7666 3.7666 4.4468 4.4468 5.4517 5.4517 5.6784 5.6784 5.6996 5.6996 5.7481 5.7481 6.0196 6.0196 6.0830 6.0830 6.1036 6.1036 6.2169 6.2169 6.2509 6.2509 6.2760 6.2760 6.8906 6.8906 7.1134 7.1134 7.6552 7.6552 7.6662 7.6662 9.5664 9.5664 10.1661 10.1661 11.8185 11.8185 11.8773 11.8773 13.1489 13.1489 k = 0.4400 0.3926-0.0000 ( 4762 PWs) bands (ev): -26.2271 -26.2271 -26.2206 -26.2206 -9.1325 -9.1325 -9.1134 -9.1134 -8.0575 -8.0575 -8.0476 -8.0476 -7.9657 -7.9657 -7.9089 -7.9089 -1.5021 -1.5021 -1.2877 -1.2877 3.7903 3.7903 4.4344 4.4344 5.4607 5.4607 5.6690 5.6690 5.6891 5.6891 5.7581 5.7581 6.0150 6.0150 6.0732 6.0732 6.1052 6.1052 6.2157 6.2157 6.2522 6.2522 6.2720 6.2720 6.8633 6.8633 7.0353 7.0353 7.6606 7.6606 7.6710 7.6710 9.6000 9.6000 10.2815 10.2815 11.7377 11.7377 11.9003 11.9003 13.2120 13.2120 k = 0.4333 0.4041-0.0000 ( 4766 PWs) bands (ev): -26.2270 -26.2270 -26.2205 -26.2205 -9.1326 -9.1326 -9.1136 -9.1136 -8.0565 -8.0565 -8.0471 -8.0471 -7.9681 -7.9681 -7.9105 -7.9105 -1.4926 -1.4926 -1.2884 -1.2884 3.8165 3.8165 4.4213 4.4213 5.4703 5.4703 5.6541 5.6541 5.6797 5.6797 5.7693 5.7693 6.0095 6.0095 6.0633 6.0633 6.1071 6.1071 6.2144 6.2144 6.2531 6.2531 6.2684 6.2684 6.8326 6.8326 6.9616 6.9616 7.6651 7.6651 7.6778 7.6778 9.6371 9.6371 10.4000 10.4000 11.6391 11.6391 11.9413 11.9413 13.2787 13.2787 k = 0.4267 0.4157-0.0000 ( 4770 PWs) bands (ev): -26.2269 -26.2269 -26.2204 -26.2204 -9.1327 -9.1327 -9.1139 -9.1139 -8.0555 -8.0555 -8.0464 -8.0464 -7.9706 -7.9706 -7.9122 -7.9122 -1.4824 -1.4824 -1.2893 -1.2893 3.8449 3.8449 4.4074 4.4074 5.4803 5.4803 5.6328 5.6328 5.6720 5.6720 5.7813 5.7813 6.0033 6.0033 6.0537 6.0537 6.1093 6.1093 6.2132 6.2132 6.2527 6.2527 6.2661 6.2661 6.7971 6.7971 6.8954 6.8954 7.6690 7.6690 7.6860 7.6860 9.6773 9.6773 10.5207 10.5207 11.5404 11.5404 11.9814 11.9814 13.3461 13.3461 k = 0.4200 0.4272-0.0000 ( 4762 PWs) bands (ev): -26.2269 -26.2269 -26.2203 -26.2203 -9.1328 -9.1328 -9.1142 -9.1142 -8.0547 -8.0547 -8.0456 -8.0456 -7.9732 -7.9732 -7.9139 -7.9139 -1.4716 -1.4716 -1.2904 -1.2904 3.8753 3.8753 4.3931 4.3931 5.4904 5.4904 5.6055 5.6055 5.6652 5.6652 5.7937 5.7937 5.9967 5.9967 6.0448 6.0448 6.1116 6.1116 6.2121 6.2121 6.2506 6.2506 6.2657 6.2657 6.7553 6.7553 6.8399 6.8399 7.6730 7.6730 7.6949 7.6949 9.7205 9.7205 10.6424 10.6424 11.4432 11.4432 12.0175 12.0175 13.4082 13.4082 k = 0.4133 0.4388-0.0000 ( 4750 PWs) bands (ev): -26.2268 -26.2268 -26.2203 -26.2203 -9.1329 -9.1329 -9.1145 -9.1145 -8.0539 -8.0539 -8.0446 -8.0446 -7.9760 -7.9760 -7.9156 -7.9156 -1.4603 -1.4603 -1.2918 -1.2918 3.9076 3.9076 4.3786 4.3786 5.4999 5.4999 5.5732 5.5732 5.6588 5.6588 5.8063 5.8063 5.9903 5.9903 6.0369 6.0369 6.1140 6.1140 6.2110 6.2110 6.2474 6.2474 6.2667 6.2667 6.7082 6.7082 6.7951 6.7951 7.6772 7.6772 7.7044 7.7044 9.7664 9.7664 10.7645 10.7645 11.3480 11.3480 12.0478 12.0478 13.4533 13.4533 k = 0.4067 0.4503-0.0000 ( 4754 PWs) bands (ev): -26.2267 -26.2267 -26.2202 -26.2202 -9.1331 -9.1331 -9.1148 -9.1148 -8.0534 -8.0534 -8.0433 -8.0433 -7.9788 -7.9788 -7.9173 -7.9173 -1.4487 -1.4487 -1.2934 -1.2934 3.9415 3.9415 4.3639 4.3639 5.5048 5.5048 5.5396 5.5396 5.6528 5.6528 5.8185 5.8185 5.9844 5.9844 6.0302 6.0302 6.1162 6.1162 6.2100 6.2100 6.2439 6.2439 6.2683 6.2683 6.6600 6.6600 6.7575 6.7575 7.6817 7.6817 7.7139 7.7139 9.8148 9.8148 10.8861 10.8861 11.2553 11.2553 12.0710 12.0710 13.4637 13.4637 k = 0.4000 0.4619-0.0000 ( 4746 PWs) bands (ev): -26.2266 -26.2266 -26.2201 -26.2201 -9.1332 -9.1332 -9.1151 -9.1151 -8.0530 -8.0530 -8.0418 -8.0418 -7.9817 -7.9817 -7.9188 -7.9188 -1.4368 -1.4368 -1.2952 -1.2952 3.9766 3.9766 4.3494 4.3494 5.4809 5.4809 5.5296 5.5296 5.6471 5.6471 5.8302 5.8302 5.9797 5.9797 6.0249 6.0249 6.1182 6.1182 6.2091 6.2091 6.2408 6.2408 6.2703 6.2703 6.6144 6.6144 6.7237 6.7237 7.6866 7.6866 7.7234 7.7234 9.8654 9.8654 11.0054 11.0054 11.1666 11.1666 12.0864 12.0864 13.4344 13.4344 k = 0.3933 0.4734-0.0000 ( 4738 PWs) bands (ev): -26.2265 -26.2265 -26.2200 -26.2200 -9.1333 -9.1333 -9.1154 -9.1154 -8.0527 -8.0527 -8.0402 -8.0402 -7.9846 -7.9846 -7.9203 -7.9203 -1.4247 -1.4247 -1.2973 -1.2973 4.0125 4.0125 4.3353 4.3353 5.4356 5.4356 5.5365 5.5365 5.6419 5.6419 5.8409 5.8409 5.9760 5.9760 6.0215 6.0215 6.1199 6.1199 6.2081 6.2081 6.2385 6.2385 6.2723 6.2723 6.5730 6.5730 6.6922 6.6922 7.6918 7.6918 7.7327 7.7327 9.9180 9.9180 11.0666 11.0666 11.1374 11.1374 12.0939 12.0939 13.3796 13.3796 k = 0.3867 0.4850-0.0000 ( 4740 PWs) bands (ev): -26.2264 -26.2264 -26.2199 -26.2199 -9.1335 -9.1335 -9.1157 -9.1157 -8.0526 -8.0526 -8.0385 -8.0385 -7.9875 -7.9875 -7.9217 -7.9217 -1.4127 -1.4127 -1.2998 -1.2998 4.0486 4.0486 4.3218 4.3218 5.3856 5.3856 5.5448 5.5448 5.6373 5.6373 5.8502 5.8502 5.9731 5.9731 6.0204 6.0204 6.1211 6.1211 6.2071 6.2071 6.2374 6.2374 6.2745 6.2745 6.5362 6.5362 6.6625 6.6625 7.6975 7.6975 7.7414 7.7414 9.9721 9.9721 10.9881 10.9881 11.2488 11.2488 12.0939 12.0939 13.3128 13.3128 k = 0.3800 0.4965-0.0000 ( 4724 PWs) bands (ev): -26.2263 -26.2263 -26.2199 -26.2199 -9.1336 -9.1336 -9.1160 -9.1160 -8.0526 -8.0526 -8.0367 -8.0367 -7.9903 -7.9903 -7.9230 -7.9230 -1.4008 -1.4008 -1.3025 -1.3025 4.0843 4.0843 4.3092 4.3092 5.3342 5.3342 5.5526 5.5526 5.6334 5.6334 5.8580 5.8580 5.9705 5.9705 6.0221 6.0221 6.1218 6.1218 6.2058 6.2058 6.2378 6.2378 6.2767 6.2767 6.5036 6.5036 6.6346 6.6346 7.7036 7.7036 7.7493 7.7493 10.0275 10.0275 10.9068 10.9068 11.3631 11.3631 12.0873 12.0873 13.2413 13.2413 k = 0.3733 0.5081-0.0000 ( 4718 PWs) bands (ev): -26.2263 -26.2263 -26.2198 -26.2198 -9.1337 -9.1337 -9.1163 -9.1163 -8.0526 -8.0526 -8.0348 -8.0348 -7.9930 -7.9930 -7.9241 -7.9241 -1.3892 -1.3892 -1.3057 -1.3057 4.1187 4.1187 4.2978 4.2978 5.2835 5.2835 5.5594 5.5594 5.6303 5.6303 5.8644 5.8644 5.9678 5.9678 6.0264 6.0264 6.1218 6.1218 6.2045 6.2045 6.2398 6.2398 6.2792 6.2792 6.4747 6.4747 6.6089 6.6089 7.7100 7.7100 7.7561 7.7561 10.0838 10.0838 10.8282 10.8282 11.4741 11.4741 12.0754 12.0754 13.1694 13.1694 k = 0.3667 0.5196-0.0000 ( 4712 PWs) bands (ev): -26.2262 -26.2262 -26.2197 -26.2197 -9.1338 -9.1338 -9.1166 -9.1166 -8.0527 -8.0527 -8.0330 -8.0330 -7.9956 -7.9956 -7.9251 -7.9251 -1.3781 -1.3781 -1.3091 -1.3091 4.1505 4.1505 4.2881 4.2881 5.2356 5.2356 5.5648 5.5648 5.6282 5.6282 5.8694 5.8694 5.9649 5.9649 6.0329 6.0329 6.1212 6.1212 6.2031 6.2031 6.2432 6.2432 6.2821 6.2821 6.4490 6.4490 6.5856 6.5856 7.7168 7.7168 7.7616 7.7616 10.1407 10.1407 10.7526 10.7526 11.5801 11.5801 12.0592 12.0592 13.0997 13.0997 k = 0.3600 0.5312-0.0000 ( 4714 PWs) bands (ev): -26.2261 -26.2261 -26.2197 -26.2197 -9.1339 -9.1339 -9.1168 -9.1168 -8.0529 -8.0529 -8.0313 -8.0313 -7.9979 -7.9979 -7.9259 -7.9259 -1.3677 -1.3677 -1.3129 -1.3129 4.1783 4.1783 4.2805 4.2805 5.1925 5.1925 5.5687 5.5687 5.6271 5.6271 5.8732 5.8732 5.9621 5.9621 6.0405 6.0405 6.1199 6.1199 6.2019 6.2019 6.2475 6.2475 6.2858 6.2858 6.4258 6.4258 6.5655 6.5655 7.7238 7.7238 7.7654 7.7654 10.1979 10.1979 10.6802 10.6802 11.6788 11.6788 12.0400 12.0400 13.0351 13.0351 k = 0.3533 0.5427-0.0000 ( 4723 PWs) bands (ev): -26.2261 -26.2261 -26.2196 -26.2196 -9.1340 -9.1340 -9.1170 -9.1170 -8.0530 -8.0530 -8.0298 -8.0298 -8.0000 -8.0000 -7.9265 -7.9265 -1.3581 -1.3581 -1.3171 -1.3171 4.2001 4.2001 4.2759 4.2759 5.1564 5.1564 5.5713 5.5713 5.6267 5.6267 5.8761 5.8761 5.9595 5.9595 6.0483 6.0483 6.1180 6.1180 6.2009 6.2009 6.2519 6.2519 6.2907 6.2907 6.4052 6.4052 6.5489 6.5489 7.7310 7.7310 7.7672 7.7672 10.2550 10.2550 10.6113 10.6113 11.7673 11.7673 12.0191 12.0191 12.9786 12.9786 k = 0.3467 0.5543-0.0000 ( 4733 PWs) bands (ev): -26.2261 -26.2261 -26.2196 -26.2196 -9.1341 -9.1341 -9.1172 -9.1172 -8.0531 -8.0531 -8.0286 -8.0286 -8.0015 -8.0015 -7.9269 -7.9269 -1.3497 -1.3497 -1.3214 -1.3214 4.2142 4.2142 4.2749 4.2749 5.1291 5.1291 5.5727 5.5727 5.6268 5.6268 5.8780 5.8780 5.9575 5.9575 6.0552 6.0552 6.1158 6.1158 6.2003 6.2003 6.2556 6.2556 6.2969 6.2969 6.3876 6.3876 6.5365 6.5365 7.7382 7.7382 7.7670 7.7670 10.3119 10.3119 10.5461 10.5461 11.8408 11.8408 11.9981 11.9981 12.9339 12.9339 k = 0.3400 0.5658-0.0000 ( 4733 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1341 -9.1341 -9.1173 -9.1173 -8.0532 -8.0532 -8.0279 -8.0279 -8.0025 -8.0025 -7.9271 -7.9271 -1.3430 -1.3430 -1.3254 -1.3254 4.2208 4.2208 4.2764 4.2764 5.1122 5.1122 5.5733 5.5733 5.6271 5.6271 5.8792 5.8792 5.9563 5.9563 6.0601 6.0601 6.1140 6.1140 6.1999 6.1999 6.2579 6.2579 6.3030 6.3030 6.3746 6.3746 6.5288 6.5288 7.7449 7.7449 7.7647 7.7647 10.3681 10.3681 10.4849 10.4849 11.8921 11.8921 11.9808 11.9808 12.9049 12.9049 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1342 -9.1342 -9.1173 -9.1173 -8.0533 -8.0533 -8.0276 -8.0276 -8.0029 -8.0029 -7.9272 -7.9272 -1.3401 -1.3401 -1.3275 -1.3275 4.2224 4.2224 4.2775 4.2775 5.1065 5.1065 5.5735 5.5735 5.6273 5.6273 5.8796 5.8796 5.9559 5.9559 6.0620 6.0620 6.1133 6.1133 6.1999 6.1999 6.2587 6.2587 6.3058 6.3058 6.3696 6.3696 6.5262 6.5262 7.7487 7.7487 7.7625 7.7625 10.4138 10.4138 10.4374 10.4374 11.9101 11.9101 11.9747 11.9747 12.8949 12.8949 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1342 -9.1342 -9.1173 -9.1173 -8.0533 -8.0533 -8.0276 -8.0276 -8.0029 -8.0029 -7.9272 -7.9272 -1.3401 -1.3401 -1.3275 -1.3275 4.2224 4.2224 4.2775 4.2775 5.1065 5.1065 5.5735 5.5735 5.6273 5.6273 5.8796 5.8796 5.9559 5.9559 6.0620 6.0620 6.1133 6.1133 6.1999 6.1999 6.2587 6.2587 6.3058 6.3058 6.3696 6.3696 6.5262 6.5262 7.7487 7.7487 7.7625 7.7625 10.4138 10.4138 10.4374 10.4374 11.9101 11.9101 11.9747 11.9747 12.8949 12.8949 k = 0.3267 0.5658-0.0000 ( 4727 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1341 -9.1341 -9.1173 -9.1173 -8.0532 -8.0532 -8.0278 -8.0278 -8.0025 -8.0025 -7.9271 -7.9271 -1.3427 -1.3427 -1.3258 -1.3258 4.2213 4.2213 4.2761 4.2761 5.1120 5.1120 5.5734 5.5734 5.6271 5.6271 5.8792 5.8792 5.9563 5.9563 6.0601 6.0601 6.1141 6.1141 6.1999 6.1999 6.2579 6.2579 6.3031 6.3031 6.3745 6.3745 6.5289 6.5289 7.7437 7.7437 7.7659 7.7659 10.3702 10.3702 10.4828 10.4828 11.8994 11.8994 11.9735 11.9735 12.9045 12.9045 k = 0.3200 0.5543-0.0000 ( 4739 PWs) bands (ev): -26.2261 -26.2261 -26.2196 -26.2196 -9.1341 -9.1341 -9.1172 -9.1172 -8.0531 -8.0531 -8.0286 -8.0286 -8.0016 -8.0016 -7.9269 -7.9269 -1.3482 -1.3482 -1.3233 -1.3233 4.2181 4.2181 4.2727 4.2727 5.1279 5.1279 5.5731 5.5731 5.6265 5.6265 5.8780 5.8780 5.9574 5.9574 6.0546 6.0546 6.1164 6.1164 6.2000 6.2000 6.2555 6.2555 6.2976 6.2976 6.3866 6.3866 6.5375 6.5375 7.7318 7.7318 7.7724 7.7724 10.3206 10.3206 10.5379 10.5379 11.8790 11.8790 11.9599 11.9599 12.9300 12.9300 k = 0.3133 0.5427-0.0000 ( 4737 PWs) bands (ev): -26.2261 -26.2261 -26.2196 -26.2196 -9.1340 -9.1340 -9.1170 -9.1170 -8.0528 -8.0528 -8.0296 -8.0296 -8.0001 -8.0001 -7.9265 -7.9265 -1.3547 -1.3547 -1.3218 -1.3218 4.2122 4.2122 4.2696 4.2696 5.1526 5.1526 5.5728 5.5728 5.6256 5.6256 5.8761 5.8761 5.9590 5.9590 6.0467 6.0467 6.1195 6.1195 6.2000 6.2000 6.2517 6.2517 6.2926 6.2926 6.4025 6.4025 6.5520 6.5520 7.7156 7.7156 7.7796 7.7796 10.2748 10.2748 10.5934 10.5934 11.8555 11.8555 11.9315 11.9315 12.9642 12.9642 k = 0.3067 0.5312-0.0000 ( 4737 PWs) bands (ev): -26.2262 -26.2262 -26.2197 -26.2197 -9.1338 -9.1338 -9.1166 -9.1166 -8.0524 -8.0524 -8.0308 -8.0308 -7.9983 -7.9983 -7.9260 -7.9260 -1.3618 -1.3618 -1.3220 -1.3220 4.2026 4.2026 4.2692 4.2692 5.1842 5.1842 5.5722 5.5722 5.6245 5.6245 5.8733 5.8733 5.9611 5.9611 6.0375 6.0375 6.1229 6.1229 6.2000 6.2000 6.2475 6.2475 6.2892 6.2892 6.4203 6.4203 6.5723 6.5723 7.6954 7.6954 7.7867 7.7867 10.2330 10.2330 10.6492 10.6492 11.8291 11.8291 11.8933 11.8933 12.9975 12.9975 k = 0.3000 0.5196-0.0000 ( 4731 PWs) bands (ev): -26.2262 -26.2262 -26.2198 -26.2198 -9.1336 -9.1336 -9.1162 -9.1162 -8.0518 -8.0518 -8.0322 -8.0322 -7.9962 -7.9962 -7.9254 -7.9254 -1.3695 -1.3695 -1.3240 -1.3240 4.1901 4.1901 4.2726 4.2726 5.2206 5.2206 5.5712 5.5712 5.6236 5.6236 5.8693 5.8693 5.9633 5.9633 6.0283 6.0283 6.1262 6.1262 6.2000 6.2000 6.2437 6.2437 6.2874 6.2874 6.4396 6.4396 6.5981 6.5981 7.6711 7.6711 7.7935 7.7935 10.1956 10.1956 10.7057 10.7057 11.7952 11.7952 11.8543 11.8543 13.0207 13.0207 k = 0.2933 0.5081-0.0000 ( 4711 PWs) bands (ev): -26.2263 -26.2263 -26.2199 -26.2199 -9.1334 -9.1334 -9.1157 -9.1157 -8.0511 -8.0511 -8.0335 -8.0335 -7.9940 -7.9940 -7.9247 -7.9247 -1.3776 -1.3776 -1.3280 -1.3280 4.1763 4.1763 4.2796 4.2796 5.2596 5.2596 5.5694 5.5694 5.6233 5.6233 5.8637 5.8637 5.9657 5.9657 6.0207 6.0207 6.1291 6.1291 6.2002 6.2002 6.2409 6.2409 6.2870 6.2870 6.4607 6.4607 6.6288 6.6288 7.6430 7.6430 7.7999 7.7999 10.1627 10.1627 10.7632 10.7632 11.7482 11.7482 11.8235 11.8235 13.0262 13.0262 k = 0.2867 0.4965-0.0000 ( 4717 PWs) bands (ev): -26.2265 -26.2265 -26.2200 -26.2200 -9.1331 -9.1331 -9.1150 -9.1150 -8.0502 -8.0502 -8.0349 -8.0349 -7.9915 -7.9915 -7.9238 -7.9238 -1.3861 -1.3861 -1.3341 -1.3341 4.1630 4.1630 4.2896 4.2896 5.2994 5.2994 5.5666 5.5666 5.6238 5.6238 5.8557 5.8557 5.9683 5.9683 6.0160 6.0160 6.1314 6.1314 6.2009 6.2009 6.2393 6.2393 6.2875 6.2875 6.4839 6.4839 6.6634 6.6634 7.6111 7.6111 7.8058 7.8058 10.1343 10.1343 10.8221 10.8221 11.6906 11.6906 11.8008 11.8008 13.0107 13.0107 k = 0.2800 0.4850-0.0000 ( 4717 PWs) bands (ev): -26.2266 -26.2266 -26.2201 -26.2201 -9.1327 -9.1327 -9.1142 -9.1142 -8.0491 -8.0491 -8.0361 -8.0361 -7.9890 -7.9890 -7.9229 -7.9229 -1.3949 -1.3949 -1.3424 -1.3424 4.1513 4.1513 4.3024 4.3024 5.3380 5.3380 5.5625 5.5625 5.6256 5.6256 5.8449 5.8449 5.9717 5.9717 6.0154 6.0154 6.1331 6.1331 6.2024 6.2024 6.2387 6.2387 6.2891 6.2891 6.5098 6.5098 6.7016 6.7016 7.5755 7.5755 7.8110 7.8110 10.1105 10.1105 10.8828 10.8828 11.6278 11.6278 11.7826 11.7826 12.9753 12.9753 k = 0.2733 0.4734-0.0000 ( 4727 PWs) bands (ev): -26.2268 -26.2268 -26.2203 -26.2203 -9.1323 -9.1323 -9.1133 -9.1133 -8.0479 -8.0479 -8.0372 -8.0372 -7.9864 -7.9864 -7.9220 -7.9220 -1.4041 -1.4041 -1.3529 -1.3529 4.1422 4.1422 4.3175 4.3175 5.3736 5.3736 5.5570 5.5570 5.6288 5.6288 5.8310 5.8310 5.9761 5.9761 6.0196 6.0196 6.1341 6.1341 6.2048 6.2048 6.2392 6.2392 6.2919 6.2919 6.5389 6.5389 6.7429 6.7429 7.5363 7.5363 7.8155 7.8155 10.0915 10.0915 10.9457 10.9457 11.5626 11.5626 11.7673 11.7673 12.9236 12.9236 k = 0.2667 0.4619-0.0000 ( 4727 PWs) bands (ev): -26.2269 -26.2269 -26.2204 -26.2204 -9.1318 -9.1318 -9.1122 -9.1122 -8.0465 -8.0465 -8.0380 -8.0380 -7.9837 -7.9837 -7.9210 -7.9210 -1.4135 -1.4135 -1.3656 -1.3656 4.1364 4.1364 4.3349 4.3349 5.4046 5.4046 5.5504 5.5504 5.6334 5.6334 5.8143 5.8143 5.9809 5.9809 6.0297 6.0297 6.1345 6.1345 6.2082 6.2082 6.2404 6.2404 6.2963 6.2963 6.5717 6.5717 6.7869 6.7869 7.4941 7.4941 7.8192 7.8192 10.0773 10.0773 11.0109 11.0109 11.4966 11.4966 11.7543 11.7543 12.8598 12.8598 k = 0.2600 0.4503-0.0000 ( 4737 PWs) bands (ev): -26.2271 -26.2271 -26.2206 -26.2206 -9.1312 -9.1312 -9.1110 -9.1110 -8.0452 -8.0452 -8.0385 -8.0385 -7.9809 -7.9809 -7.9199 -7.9199 -1.4233 -1.4233 -1.3805 -1.3805 4.1342 4.1342 4.3544 4.3544 5.4300 5.4300 5.5427 5.5427 5.6394 5.6394 5.7954 5.7954 5.9853 5.9853 6.0461 6.0461 6.1343 6.1343 6.2127 6.2127 6.2422 6.2422 6.3026 6.3026 6.6086 6.6086 6.8334 6.8334 7.4489 7.4489 7.8220 7.8220 10.0680 10.0680 11.0785 11.0785 11.4305 11.4305 11.7432 11.7432 12.7872 12.7872 k = 0.2533 0.4388-0.0000 ( 4725 PWs) bands (ev): -26.2273 -26.2273 -26.2208 -26.2208 -9.1306 -9.1306 -9.1097 -9.1097 -8.0443 -8.0443 -8.0382 -8.0382 -7.9780 -7.9780 -7.9188 -7.9188 -1.4333 -1.4333 -1.3976 -1.3976 4.1360 4.1360 4.3757 4.3757 5.4490 5.4490 5.5342 5.5342 5.6467 5.6467 5.7749 5.7749 5.9890 5.9890 6.0680 6.0680 6.1338 6.1338 6.2187 6.2187 6.2447 6.2447 6.3113 6.3113 6.6499 6.6499 6.8821 6.8821 7.4012 7.4012 7.8240 7.8240 10.0636 10.0636 11.1486 11.1486 11.3654 11.3654 11.7339 11.7339 12.7085 12.7085 k = 0.2467 0.4272-0.0000 ( 4729 PWs) bands (ev): -26.2276 -26.2276 -26.2210 -26.2210 -9.1299 -9.1299 -9.1082 -9.1082 -8.0440 -8.0440 -8.0370 -8.0370 -7.9751 -7.9751 -7.9177 -7.9177 -1.4436 -1.4436 -1.4167 -1.4167 4.1419 4.1419 4.3988 4.3988 5.4615 5.4615 5.5250 5.5250 5.6551 5.6551 5.7534 5.7534 5.9920 5.9920 6.0930 6.0930 6.1328 6.1328 6.2270 6.2270 6.2476 6.2476 6.3229 6.3229 6.6959 6.6959 6.9329 6.9329 7.3514 7.3514 7.8250 7.8250 10.0642 10.0642 11.2192 11.2192 11.3035 11.3035 11.7263 11.7263 12.6257 12.6257 k = 0.2400 0.4157-0.0000 ( 4741 PWs) bands (ev): -26.2279 -26.2279 -26.2213 -26.2213 -9.1292 -9.1292 -9.1065 -9.1065 -8.0442 -8.0442 -8.0349 -8.0349 -7.9722 -7.9722 -7.9166 -7.9166 -1.4543 -1.4543 -1.4376 -1.4376 4.1519 4.1519 4.4234 4.4234 5.4677 5.4677 5.5153 5.5153 5.6644 5.6644 5.7314 5.7314 5.9944 5.9944 6.1179 6.1179 6.1315 6.1315 6.2390 6.2390 6.2512 6.2512 6.3379 6.3379 6.7466 6.7466 6.9856 6.9856 7.2999 7.2999 7.8251 7.8251 10.0697 10.0697 11.2294 11.2294 11.3059 11.3059 11.7202 11.7202 12.5400 12.5400 k = 0.2333 0.4041-0.0000 ( 4735 PWs) bands (ev): -26.2281 -26.2281 -26.2215 -26.2215 -9.1284 -9.1284 -9.1048 -9.1048 -8.0446 -8.0446 -8.0322 -8.0322 -7.9691 -7.9691 -7.9155 -7.9155 -1.4672 -1.4672 -1.4585 -1.4585 4.1662 4.1662 4.4495 4.4495 5.4682 5.4682 5.5053 5.5053 5.6739 5.6739 5.7098 5.7098 5.9964 5.9964 6.1300 6.1300 6.1388 6.1388 6.2515 6.2515 6.2614 6.2614 6.3568 6.3568 6.8021 6.8021 7.0402 7.0402 7.2473 7.2473 7.8244 7.8244 10.0801 10.0801 11.1705 11.1705 11.3816 11.3816 11.7157 11.7157 12.4525 12.4525 k = 0.2267 0.3926-0.0000 ( 4741 PWs) bands (ev): -26.2284 -26.2284 -26.2218 -26.2218 -9.1275 -9.1275 -9.1028 -9.1028 -8.0451 -8.0451 -8.0291 -8.0291 -7.9660 -7.9660 -7.9144 -7.9144 -1.4887 -1.4887 -1.4727 -1.4727 4.1845 4.1845 4.4766 4.4766 5.4638 5.4638 5.4953 5.4953 5.6778 5.6778 5.6944 5.6944 5.9982 5.9982 6.1282 6.1282 6.1532 6.1532 6.2560 6.2560 6.2873 6.2873 6.3800 6.3800 6.8621 6.8621 7.0961 7.0961 7.1945 7.1945 7.8228 7.8228 10.0954 10.0954 11.1103 11.1103 11.4625 11.4625 11.7126 11.7126 12.3638 12.3638 k = 0.2200 0.3811-0.0000 ( 4745 PWs) bands (ev): -26.2287 -26.2287 -26.2221 -26.2221 -9.1266 -9.1266 -9.1008 -9.1008 -8.0455 -8.0455 -8.0258 -8.0258 -7.9628 -7.9628 -7.9133 -7.9133 -1.5150 -1.5150 -1.4838 -1.4838 4.2067 4.2067 4.5047 4.5047 5.4552 5.4552 5.4850 5.4850 5.6607 5.6607 5.7008 5.7008 5.9997 5.9997 6.1263 6.1263 6.1617 6.1617 6.2597 6.2597 6.3202 6.3202 6.4081 6.4081 6.9255 6.9255 7.1350 7.1350 7.1612 7.1612 7.8204 7.8204 10.1155 10.1155 11.0513 11.0513 11.5456 11.5456 11.7115 11.7115 12.2746 12.2746 k = 0.2133 0.3695-0.0000 ( 4741 PWs) bands (ev): -26.2291 -26.2291 -26.2224 -26.2224 -9.1257 -9.1257 -9.0986 -9.0986 -8.0460 -8.0460 -8.0221 -8.0221 -7.9596 -7.9596 -7.9122 -7.9122 -1.5433 -1.5433 -1.4945 -1.4945 4.2326 4.2326 4.5336 4.5336 5.4437 5.4437 5.4740 5.4740 5.6392 5.6392 5.7122 5.7122 6.0009 6.0009 6.1243 6.1243 6.1660 6.1660 6.2633 6.2633 6.3568 6.3568 6.4416 6.4416 6.9881 6.9881 7.0918 7.0918 7.2167 7.2167 7.8174 7.8174 10.1404 10.1404 10.9940 10.9940 11.6272 11.6272 11.7153 11.7153 12.1851 12.1851 k = 0.2067 0.3580-0.0000 ( 4745 PWs) bands (ev): -26.2294 -26.2294 -26.2228 -26.2228 -9.1247 -9.1247 -9.0963 -9.0963 -8.0464 -8.0464 -8.0181 -8.0181 -7.9562 -7.9562 -7.9111 -7.9111 -1.5732 -1.5732 -1.5050 -1.5050 4.2620 4.2620 4.5629 4.5629 5.4299 5.4299 5.4621 5.4621 5.6176 5.6176 5.7245 5.7245 6.0020 6.0020 6.1221 6.1221 6.1678 6.1678 6.2670 6.2670 6.3950 6.3950 6.4805 6.4805 7.0072 7.0072 7.0918 7.0918 7.2781 7.2781 7.8139 7.8139 10.1698 10.1698 10.9384 10.9384 11.6821 11.6821 11.7485 11.7485 12.0959 12.0959 k = 0.2000 0.3464-0.0000 ( 4751 PWs) bands (ev): -26.2298 -26.2298 -26.2231 -26.2231 -9.1237 -9.1237 -9.0939 -9.0939 -8.0468 -8.0468 -8.0139 -8.0139 -7.9528 -7.9528 -7.9101 -7.9101 -1.6044 -1.6044 -1.5155 -1.5155 4.2947 4.2947 4.5925 4.5925 5.4145 5.4145 5.4490 5.4490 5.5961 5.5961 5.7371 5.7371 6.0029 6.0029 6.1199 6.1199 6.1679 6.1679 6.2706 6.2706 6.4345 6.4345 6.5246 6.5246 6.9644 6.9644 7.1575 7.1575 7.3414 7.3414 7.8099 7.8099 10.2038 10.2038 10.8848 10.8848 11.6923 11.6923 11.8283 11.8283 12.0076 12.0076 k = 0.1933 0.3349-0.0000 ( 4755 PWs) bands (ev): -26.2302 -26.2302 -26.2235 -26.2235 -9.1226 -9.1226 -9.0914 -9.0914 -8.0471 -8.0471 -8.0094 -8.0094 -7.9493 -7.9493 -7.9091 -7.9091 -1.6366 -1.6366 -1.5258 -1.5258 4.3303 4.3303 4.6222 4.6222 5.3978 5.3978 5.4349 5.4349 5.5751 5.5751 5.7499 5.7499 6.0037 6.0037 6.1176 6.1176 6.1670 6.1670 6.2743 6.2743 6.4754 6.4754 6.5731 6.5731 6.9142 6.9142 7.2344 7.2344 7.4062 7.4062 7.8056 7.8056 10.2422 10.2422 10.8331 10.8331 11.6927 11.6927 11.9056 11.9056 11.9338 11.9338 k = 0.1867 0.3233-0.0000 ( 4747 PWs) bands (ev): -26.2306 -26.2306 -26.2238 -26.2238 -9.1215 -9.1215 -9.0888 -9.0888 -8.0475 -8.0475 -8.0048 -8.0048 -7.9457 -7.9457 -7.9081 -7.9081 -1.6698 -1.6698 -1.5360 -1.5360 4.3684 4.3684 4.6516 4.6516 5.3799 5.3799 5.4199 5.4199 5.5546 5.5546 5.7627 5.7627 6.0046 6.0046 6.1153 6.1153 6.1654 6.1654 6.2780 6.2780 6.5185 6.5185 6.6251 6.6251 6.8642 6.8642 7.3149 7.3149 7.4725 7.4725 7.8014 7.8014 10.2848 10.2848 10.7834 10.7834 11.6906 11.6906 11.8303 11.8303 12.0170 12.0170 k = 0.1800 0.3118-0.0000 ( 4739 PWs) bands (ev): -26.2309 -26.2309 -26.2242 -26.2242 -9.1205 -9.1205 -9.0861 -9.0861 -8.0478 -8.0478 -7.9999 -7.9999 -7.9420 -7.9420 -7.9072 -7.9072 -1.7038 -1.7038 -1.5460 -1.5460 4.4089 4.4089 4.6807 4.6807 5.3609 5.3609 5.4042 5.4042 5.5348 5.5348 5.7753 5.7753 6.0054 6.0054 6.1130 6.1130 6.1632 6.1632 6.2817 6.2817 6.5639 6.5639 6.6796 6.6796 6.8169 6.8169 7.3973 7.3973 7.5399 7.5399 7.7976 7.7976 10.3315 10.3315 10.7358 10.7358 11.6858 11.6858 11.7459 11.7459 12.1132 12.1132 k = 0.1733 0.3002-0.0000 ( 4747 PWs) bands (ev): -26.2314 -26.2314 -26.2246 -26.2246 -9.1194 -9.1194 -9.0834 -9.0834 -8.0481 -8.0481 -7.9948 -7.9948 -7.9383 -7.9383 -7.9063 -7.9063 -1.7382 -1.7382 -1.5559 -1.5559 4.4511 4.4511 4.7091 4.7091 5.3409 5.3409 5.3878 5.3878 5.5155 5.5155 5.7873 5.7873 6.0063 6.0063 6.1107 6.1107 6.1607 6.1607 6.2854 6.2854 6.6113 6.6113 6.7293 6.7293 6.7805 6.7805 7.4808 7.4808 7.6076 7.6076 7.7949 7.7949 10.3821 10.3821 10.6902 10.6902 11.6548 11.6548 11.6866 11.6866 12.2108 12.2108 k = 0.1667 0.2887-0.0000 ( 4753 PWs) bands (ev): -26.2318 -26.2318 -26.2250 -26.2250 -9.1183 -9.1183 -9.0806 -9.0806 -8.0484 -8.0484 -7.9895 -7.9895 -7.9344 -7.9344 -7.9055 -7.9055 -1.7731 -1.7731 -1.5655 -1.5655 4.4949 4.4949 4.7368 4.7368 5.3199 5.3199 5.3708 5.3708 5.4968 5.4968 5.7988 5.7988 6.0074 6.0074 6.1086 6.1086 6.1580 6.1580 6.2889 6.2889 6.6554 6.6554 6.7240 6.7240 6.8115 6.8115 7.5647 7.5647 7.6731 7.6731 7.7960 7.7960 10.4364 10.4364 10.6468 10.6468 11.5750 11.5750 11.6753 11.6753 12.3088 12.3088 k = 0.1600 0.2771-0.0000 ( 4757 PWs) bands (ev): -26.2322 -26.2322 -26.2254 -26.2254 -9.1172 -9.1172 -9.0778 -9.0778 -8.0487 -8.0487 -7.9841 -7.9841 -7.9305 -7.9305 -7.9046 -7.9046 -1.8081 -1.8081 -1.5749 -1.5749 4.5399 4.5399 4.7635 4.7635 5.2979 5.2979 5.3535 5.3535 5.4788 5.4788 5.8095 5.8095 6.0088 6.0088 6.1065 6.1065 6.1550 6.1550 6.2923 6.2923 6.6566 6.6566 6.7392 6.7392 6.8743 6.8743 7.6483 7.6483 7.7267 7.7267 7.8107 7.8107 10.4941 10.4941 10.6058 10.6058 11.4942 11.4942 11.6636 11.6636 12.4061 12.4061 k = 0.1533 0.2656-0.0000 ( 4753 PWs) bands (ev): -26.2326 -26.2326 -26.2258 -26.2258 -9.1161 -9.1161 -9.0750 -9.0750 -8.0490 -8.0490 -7.9786 -7.9786 -7.9266 -7.9266 -7.9039 -7.9039 -1.8431 -1.8431 -1.5840 -1.5840 4.5856 4.5856 4.7891 4.7891 5.2750 5.2750 5.3361 5.3361 5.4616 5.4616 5.8192 5.8192 6.0107 6.0107 6.1046 6.1046 6.1520 6.1520 6.2956 6.2956 6.6228 6.6228 6.7938 6.7938 6.9428 6.9428 7.7311 7.7311 7.7499 7.7499 7.8575 7.8575 10.5493 10.5493 10.5728 10.5728 11.4152 11.4152 11.6485 11.6485 12.5011 12.5011 k = 0.1467 0.2540-0.0000 ( 4757 PWs) bands (ev): -26.2330 -26.2330 -26.2262 -26.2262 -9.1151 -9.1151 -9.0721 -9.0721 -8.0494 -8.0494 -7.9730 -7.9730 -7.9226 -7.9226 -7.9031 -7.9031 -1.8780 -1.8780 -1.5929 -1.5929 4.6316 4.6316 4.8136 4.8136 5.2512 5.2512 5.3185 5.3185 5.4451 5.4451 5.8276 5.8276 6.0132 6.0132 6.1027 6.1027 6.1489 6.1489 6.2986 6.2986 6.5866 6.5866 6.8571 6.8571 7.0154 7.0154 7.7540 7.7540 7.8126 7.8126 7.9250 7.9250 10.5264 10.5264 10.6230 10.6230 11.3383 11.3383 11.6292 11.6292 12.5901 12.5901 k = 0.1400 0.2425-0.0000 ( 4761 PWs) bands (ev): -26.2334 -26.2334 -26.2266 -26.2266 -9.1141 -9.1141 -9.0693 -9.0693 -8.0497 -8.0497 -7.9673 -7.9673 -7.9186 -7.9186 -7.9025 -7.9025 -1.9126 -1.9126 -1.6015 -1.6015 4.6777 4.6777 4.8367 4.8367 5.2266 5.2266 5.3011 5.3011 5.4293 5.4293 5.8346 5.8346 6.0162 6.0162 6.1009 6.1009 6.1458 6.1458 6.3013 6.3013 6.5521 6.5521 6.9254 6.9254 7.0918 7.0918 7.7534 7.7534 7.8921 7.8921 7.9991 7.9991 10.4915 10.4915 10.6905 10.6905 11.2638 11.2638 11.6049 11.6049 12.6611 12.6611 k = 0.1333 0.2309-0.0000 ( 4757 PWs) bands (ev): -26.2339 -26.2339 -26.2269 -26.2269 -9.1131 -9.1131 -9.0665 -9.0665 -8.0500 -8.0500 -7.9615 -7.9615 -7.9145 -7.9145 -7.9018 -7.9018 -1.9466 -1.9466 -1.6097 -1.6097 4.7234 4.7234 4.8586 4.8586 5.2013 5.2013 5.2838 5.2838 5.4143 5.4143 5.8402 5.8402 6.0201 6.0201 6.0993 6.0993 6.1427 6.1427 6.3037 6.3037 6.5203 6.5203 6.9982 6.9982 7.1722 7.1722 7.7515 7.7515 7.9692 7.9692 8.0761 8.0761 10.4580 10.4580 10.7612 10.7612 11.1919 11.1919 11.5750 11.5750 12.6832 12.6832 k = 0.1267 0.2194-0.0000 ( 4755 PWs) bands (ev): -26.2343 -26.2343 -26.2273 -26.2273 -9.1121 -9.1121 -9.0637 -9.0637 -8.0503 -8.0503 -7.9558 -7.9558 -7.9105 -7.9105 -7.9012 -7.9012 -1.9800 -1.9800 -1.6177 -1.6177 4.7684 4.7684 4.8791 4.8791 5.1755 5.1755 5.2669 5.2669 5.4000 5.4000 5.8442 5.8442 6.0246 6.0246 6.0977 6.0977 6.1398 6.1398 6.3057 6.3057 6.4914 6.4914 7.0752 7.0752 7.2566 7.2566 7.7496 7.7496 8.0434 8.0434 8.1549 8.1549 10.4262 10.4262 10.8348 10.8348 11.1228 11.1228 11.5390 11.5390 12.6551 12.6551 k = 0.1200 0.2078-0.0000 ( 4751 PWs) bands (ev): -26.2347 -26.2347 -26.2277 -26.2277 -9.1112 -9.1112 -9.0610 -9.0610 -8.0506 -8.0506 -7.9500 -7.9500 -7.9065 -7.9065 -7.9005 -7.9005 -2.0127 -2.0127 -1.6253 -1.6253 4.8124 4.8124 4.8981 4.8981 5.1492 5.1492 5.2505 5.2505 5.3865 5.3865 5.8467 5.8467 6.0297 6.0297 6.0961 6.0961 6.1369 6.1369 6.3071 6.3071 6.4657 6.4657 7.1561 7.1561 7.3448 7.3448 7.7481 7.7481 8.1141 8.1141 8.2352 8.2352 10.3959 10.3959 10.9109 10.9109 11.0565 11.0565 11.4964 11.4964 12.6096 12.6096 k = 0.1133 0.1963-0.0000 ( 4759 PWs) bands (ev): -26.2351 -26.2351 -26.2281 -26.2281 -9.1104 -9.1104 -9.0584 -9.0584 -8.0510 -8.0510 -7.9444 -7.9444 -7.9025 -7.9025 -7.8999 -7.8999 -2.0443 -2.0443 -1.6325 -1.6325 4.8550 4.8550 4.9158 4.9158 5.1228 5.1228 5.2347 5.2347 5.3738 5.3738 5.8479 5.8479 6.0353 6.0353 6.0944 6.0944 6.1342 6.1342 6.3078 6.3078 6.4432 6.4432 7.2408 7.2408 7.4368 7.4368 7.7474 7.7474 8.1810 8.1810 8.3166 8.3166 10.3670 10.3670 10.9892 10.9892 10.9932 10.9932 11.4469 11.4469 12.5603 12.5603 k = 0.1067 0.1848-0.0000 ( 4751 PWs) bands (ev): -26.2355 -26.2355 -26.2285 -26.2285 -9.1095 -9.1095 -9.0558 -9.0558 -8.0513 -8.0513 -7.9388 -7.9388 -7.8996 -7.8996 -7.8983 -7.8983 -2.0750 -2.0750 -1.6394 -1.6394 4.8959 4.8959 4.9320 4.9320 5.0964 5.0964 5.2197 5.2197 5.3619 5.3619 5.8479 5.8479 6.0414 6.0414 6.0927 6.0927 6.1317 6.1317 6.3076 6.3076 6.4241 6.4241 7.3290 7.3290 7.5319 7.5319 7.7483 7.7483 8.2437 8.2437 8.3989 8.3989 10.3393 10.3393 10.9328 10.9328 11.0695 11.0695 11.3903 11.3903 12.5109 12.5109 k = 0.1000 0.1732-0.0000 ( 4755 PWs) bands (ev): -26.2358 -26.2358 -26.2288 -26.2288 -9.1088 -9.1088 -9.0533 -9.0533 -8.0516 -8.0516 -7.9335 -7.9335 -7.8989 -7.8989 -7.8946 -7.8946 -2.1044 -2.1044 -1.6459 -1.6459 4.9344 4.9344 4.9469 4.9469 5.0704 5.0704 5.2056 5.2056 5.3508 5.3508 5.8469 5.8469 6.0475 6.0475 6.0908 6.0908 6.1295 6.1295 6.3064 6.3064 6.4084 6.4084 7.4205 7.4205 7.6273 7.6273 7.7535 7.7535 8.3019 8.3019 8.4819 8.4819 10.3126 10.3126 10.8753 10.8753 11.1513 11.1513 11.3268 11.3268 12.4627 12.4627 k = 0.0933 0.1617-0.0000 ( 4763 PWs) bands (ev): -26.2362 -26.2362 -26.2291 -26.2291 -9.1081 -9.1081 -9.0509 -9.0509 -8.0519 -8.0519 -7.9283 -7.9283 -7.8983 -7.8983 -7.8909 -7.8909 -2.1325 -2.1325 -1.6520 -1.6520 4.9583 4.9583 4.9725 4.9725 5.0454 5.0454 5.1926 5.1926 5.3405 5.3405 5.8450 5.8450 6.0536 6.0536 6.0888 6.0888 6.1275 6.1275 6.3041 6.3041 6.3959 6.3959 7.5149 7.5149 7.7042 7.7042 7.7820 7.7820 8.3556 8.3556 8.5652 8.5652 10.2867 10.2867 10.8205 10.8205 11.2318 11.2318 11.2587 11.2587 12.4086 12.4086 k = 0.0867 0.1501-0.0000 ( 4763 PWs) bands (ev): -26.2366 -26.2366 -26.2295 -26.2295 -9.1074 -9.1074 -9.0487 -9.0487 -8.0522 -8.0522 -7.9234 -7.9234 -7.8976 -7.8976 -7.8873 -7.8873 -2.1591 -2.1591 -1.6577 -1.6577 4.9686 4.9686 5.0061 5.0061 5.0225 5.0225 5.1809 5.1809 5.3310 5.3310 5.8425 5.8425 6.0595 6.0595 6.0866 6.0866 6.1259 6.1259 6.3008 6.3008 6.3866 6.3866 7.6119 7.6119 7.7284 7.7284 7.8678 7.8678 8.4045 8.4045 8.6485 8.6485 10.2612 10.2612 10.7682 10.7682 11.1777 11.1777 11.3194 11.3194 12.2963 12.2963 k = 0.0800 0.1386-0.0000 ( 4757 PWs) bands (ev): -26.2369 -26.2369 -26.2298 -26.2298 -9.1068 -9.1068 -9.0465 -9.0465 -8.0525 -8.0525 -7.9188 -7.9188 -7.8968 -7.8968 -7.8839 -7.8839 -2.1843 -2.1843 -1.6630 -1.6630 4.9717 4.9717 5.0055 5.0055 5.0373 5.0373 5.1709 5.1709 5.3225 5.3225 5.8395 5.8395 6.0651 6.0651 6.0844 6.0844 6.1247 6.1247 6.2967 6.2967 6.3800 6.3800 7.7095 7.7095 7.7360 7.7360 7.9760 7.9760 8.4487 8.4487 8.7314 8.7314 10.2359 10.2359 10.7178 10.7178 11.0946 11.0946 11.4035 11.4035 12.1804 12.1804 k = 0.0733 0.1270-0.0000 ( 4753 PWs) bands (ev): -26.2372 -26.2372 -26.2301 -26.2301 -9.1062 -9.1062 -9.0446 -9.0446 -8.0528 -8.0528 -7.9147 -7.9147 -7.8959 -7.8959 -7.8806 -7.8806 -2.2078 -2.2078 -1.6680 -1.6680 4.9604 4.9604 5.0031 5.0031 5.0645 5.0645 5.1633 5.1633 5.3150 5.3150 5.8363 5.8363 6.0702 6.0702 6.0821 6.0821 6.1238 6.1238 6.2922 6.2922 6.3754 6.3754 7.7360 7.7360 7.8136 7.8136 8.0911 8.0911 8.4883 8.4883 8.8136 8.8136 10.2102 10.2102 10.6690 10.6690 11.0059 11.0059 11.4874 11.4874 12.0674 12.0674 k = 0.0667 0.1155-0.0000 ( 4757 PWs) bands (ev): -26.2375 -26.2375 -26.2303 -26.2303 -9.1057 -9.1057 -9.0427 -9.0427 -8.0531 -8.0531 -7.9111 -7.9111 -7.8948 -7.8948 -7.8775 -7.8775 -2.2295 -2.2295 -1.6725 -1.6725 4.9416 4.9416 5.0078 5.0078 5.0865 5.0865 5.1592 5.1592 5.3086 5.3086 5.8329 5.8329 6.0747 6.0747 6.0798 6.0798 6.1234 6.1234 6.2876 6.2876 6.3724 6.3724 7.7386 7.7386 7.9155 7.9155 8.2106 8.2106 8.5234 8.5234 8.8943 8.8943 10.1838 10.1838 10.6210 10.6210 10.9127 10.9127 11.5703 11.5703 11.9585 11.9585 k = 0.0600 0.1039-0.0000 ( 4765 PWs) bands (ev): -26.2377 -26.2377 -26.2306 -26.2306 -9.1052 -9.1052 -9.0410 -9.0410 -8.0533 -8.0533 -7.9081 -7.9081 -7.8934 -7.8934 -7.8746 -7.8746 -2.2494 -2.2494 -1.6766 -1.6766 4.9222 4.9222 5.0132 5.0132 5.1015 5.1015 5.1606 5.1606 5.3033 5.3033 5.8295 5.8295 6.0774 6.0774 6.0786 6.0786 6.1234 6.1234 6.2832 6.2832 6.3705 6.3705 7.7407 7.7407 8.0181 8.0181 8.3334 8.3334 8.5543 8.5543 8.9730 8.9730 10.1557 10.1557 10.5734 10.5734 10.8163 10.8163 11.6513 11.6513 11.8544 11.8544 k = 0.0533 0.0924-0.0000 ( 4757 PWs) bands (ev): -26.2380 -26.2380 -26.2308 -26.2308 -9.1048 -9.1048 -9.0395 -9.0395 -8.0536 -8.0536 -7.9059 -7.9059 -7.8916 -7.8916 -7.8720 -7.8720 -2.2675 -2.2675 -1.6802 -1.6802 4.9039 4.9039 5.0179 5.0179 5.1086 5.1086 5.1679 5.1679 5.2995 5.2995 5.8262 5.8262 6.0752 6.0752 6.0817 6.0817 6.1239 6.1239 6.2792 6.2792 6.3694 6.3694 7.7427 7.7427 8.1201 8.1201 8.4583 8.4583 8.5820 8.5820 9.0489 9.0489 10.1249 10.1249 10.5258 10.5258 10.7180 10.7180 11.7278 11.7278 11.7575 11.7575 k = 0.0467 0.0808-0.0000 ( 4761 PWs) bands (ev): -26.2382 -26.2382 -26.2310 -26.2310 -9.1045 -9.1045 -9.0381 -9.0381 -8.0538 -8.0538 -7.9042 -7.9042 -7.8896 -7.8896 -7.8697 -7.8697 -2.2836 -2.2836 -1.6835 -1.6835 4.8871 4.8871 5.0213 5.0213 5.1107 5.1107 5.1782 5.1782 5.2972 5.2972 5.8231 5.8231 6.0732 6.0732 6.0841 6.0841 6.1247 6.1247 6.2757 6.2757 6.3687 6.3687 7.7447 7.7447 8.2204 8.2204 8.5761 8.5761 8.6152 8.6152 9.1209 9.1209 10.0895 10.0895 10.4783 10.4783 10.6196 10.6196 11.6637 11.6637 11.7156 11.7156 k = 0.0400 0.0693-0.0000 ( 4769 PWs) bands (ev): -26.2384 -26.2384 -26.2312 -26.2312 -9.1042 -9.1042 -9.0369 -9.0369 -8.0540 -8.0540 -7.9031 -7.9031 -7.8876 -7.8876 -7.8676 -7.8676 -2.2977 -2.2977 -1.6863 -1.6863 4.8721 4.8721 5.0237 5.0237 5.1110 5.1110 5.1880 5.1880 5.2964 5.2964 5.8203 5.8203 6.0713 6.0713 6.0858 6.0858 6.1258 6.1258 6.2726 6.2726 6.3683 6.3683 7.7465 7.7465 8.3174 8.3174 8.6169 8.6169 8.7234 8.7234 9.1880 9.1880 10.0473 10.0473 10.4321 10.4321 10.5232 10.5232 11.5799 11.5799 11.6101 11.6101 k = 0.0333 0.0577-0.0000 ( 4765 PWs) bands (ev): -26.2386 -26.2386 -26.2313 -26.2313 -9.1039 -9.1039 -9.0359 -9.0359 -8.0541 -8.0541 -7.9023 -7.9023 -7.8857 -7.8857 -7.8658 -7.8658 -2.3097 -2.3097 -1.6887 -1.6887 4.8593 4.8593 5.0250 5.0250 5.1110 5.1110 5.1960 5.1960 5.2972 5.2972 5.8177 5.8177 6.0696 6.0696 6.0870 6.0870 6.1271 6.1271 6.2701 6.2701 6.3681 6.3681 7.7482 7.7482 8.4088 8.4088 8.6341 8.6341 8.8527 8.8527 9.2488 9.2488 9.9954 9.9954 10.3891 10.3891 10.4314 10.4314 11.5044 11.5044 11.5204 11.5204 k = 0.0267 0.0462-0.0000 ( 4765 PWs) bands (ev): -26.2387 -26.2387 -26.2315 -26.2315 -9.1037 -9.1037 -9.0350 -9.0350 -8.0543 -8.0543 -7.9018 -7.9018 -7.8839 -7.8839 -7.8643 -7.8643 -2.3195 -2.3195 -1.6907 -1.6907 4.8485 4.8485 5.0256 5.0256 5.1111 5.1111 5.2016 5.2016 5.2991 5.2991 5.8156 5.8156 6.0682 6.0682 6.0878 6.0878 6.1284 6.1284 6.2681 6.2681 6.3680 6.3680 7.7497 7.7497 8.4919 8.4919 8.6470 8.6470 8.9827 8.9827 9.3019 9.3019 9.9312 9.9312 10.3474 10.3474 10.3520 10.3520 11.4376 11.4376 11.4491 11.4491 k = 0.0200 0.0346-0.0000 ( 4765 PWs) bands (ev): -26.2388 -26.2388 -26.2316 -26.2316 -9.1035 -9.1035 -9.0344 -9.0344 -8.0544 -8.0544 -7.9014 -7.9014 -7.8825 -7.8825 -7.8631 -7.8631 -2.3272 -2.3272 -1.6922 -1.6922 4.8401 4.8401 5.0257 5.0257 5.1114 5.1114 5.2052 5.2052 5.3015 5.3015 5.8139 5.8139 6.0671 6.0671 6.0883 6.0883 6.1295 6.1295 6.2666 6.2666 6.3680 6.3680 7.7509 7.7509 8.5631 8.5631 8.6570 8.6570 9.1105 9.1105 9.3462 9.3462 9.8540 9.8540 10.2752 10.2752 10.3226 10.3226 11.3819 11.3819 11.3954 11.3954 k = 0.0133 0.0231-0.0000 ( 4763 PWs) bands (ev): -26.2389 -26.2389 -26.2316 -26.2316 -9.1034 -9.1034 -9.0339 -9.0339 -8.0544 -8.0544 -7.9011 -7.9011 -7.8815 -7.8815 -7.8623 -7.8623 -2.3328 -2.3328 -1.6933 -1.6933 4.8340 4.8340 5.0256 5.0256 5.1117 5.1117 5.2073 5.2073 5.3037 5.3037 5.8127 5.8127 6.0663 6.0663 6.0886 6.0886 6.1304 6.1304 6.2655 6.2655 6.3680 6.3680 7.7518 7.7518 8.6177 8.6177 8.6649 8.6649 9.2313 9.2313 9.3814 9.3814 9.7663 9.7663 10.2188 10.2188 10.3018 10.3018 11.3412 11.3412 11.3571 11.3571 k = 0.0067 0.0115-0.0000 ( 4761 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1034 -9.1034 -9.0336 -9.0336 -8.0545 -8.0545 -7.9010 -7.9010 -7.8809 -7.8809 -7.8618 -7.8618 -2.3361 -2.3361 -1.6939 -1.6939 4.8303 4.8303 5.0254 5.0254 5.1120 5.1120 5.2084 5.2084 5.3053 5.3053 5.8119 5.8119 6.0659 6.0659 6.0887 6.0887 6.1309 6.1309 6.2649 6.2649 6.3680 6.3680 7.7523 7.7523 8.6494 8.6494 8.6729 8.6729 9.3291 9.3291 9.4134 9.4134 9.6775 9.6775 10.1827 10.1827 10.2896 10.2896 11.3165 11.3165 11.3340 11.3340 k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1033 -9.1033 -9.0335 -9.0335 -8.0545 -8.0545 -7.9010 -7.9010 -7.8806 -7.8806 -7.8616 -7.8616 -2.3372 -2.3372 -1.6942 -1.6942 4.8291 4.8291 5.0254 5.0254 5.1121 5.1121 5.2087 5.2087 5.3059 5.3059 5.8116 5.8116 6.0657 6.0657 6.0888 6.0888 6.1311 6.1311 6.2647 6.2647 6.3680 6.3680 7.7525 7.7525 8.6574 8.6574 8.6786 8.6786 9.3641 9.3641 9.4421 9.4421 9.6275 9.6275 10.1703 10.1703 10.2856 10.2856 11.3083 11.3083 11.3263 11.3263 k = 0.0000 0.0000 0.0000 ( 4757 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1033 -9.1033 -9.0335 -9.0335 -8.0545 -8.0545 -7.9010 -7.9010 -7.8806 -7.8806 -7.8616 -7.8616 -2.3372 -2.3372 -1.6942 -1.6942 4.8291 4.8291 5.0254 5.0254 5.1121 5.1121 5.2087 5.2087 5.3059 5.3059 5.8116 5.8116 6.0657 6.0657 6.0888 6.0888 6.1311 6.1311 6.2647 6.2647 6.3680 6.3680 7.7525 7.7525 8.6574 8.6574 8.6786 8.6786 9.3641 9.3641 9.4421 9.4421 9.6275 9.6275 10.1703 10.1703 10.2856 10.2856 11.3083 11.3083 11.3263 11.3263 k = 0.0000 0.0000 0.0133 ( 4757 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1032 -9.1032 -9.0336 -9.0336 -8.0543 -8.0543 -7.9013 -7.9013 -7.8806 -7.8806 -7.8617 -7.8617 -2.3362 -2.3362 -1.6953 -1.6953 4.8314 4.8314 5.0257 5.0257 5.1125 5.1125 5.2084 5.2084 5.3055 5.3055 5.8111 5.8111 6.0657 6.0657 6.0886 6.0886 6.1313 6.1313 6.2644 6.2644 6.3685 6.3685 7.7445 7.7445 8.6582 8.6582 8.6796 8.6796 9.3620 9.3620 9.4400 9.4400 9.6355 9.6355 10.1704 10.1704 10.2882 10.2882 11.3101 11.3101 11.3281 11.3281 k = 0.0000 0.0000 0.0266 ( 4757 PWs) bands (ev): -26.2389 -26.2389 -26.2317 -26.2317 -9.1028 -9.1028 -9.0339 -9.0339 -8.0536 -8.0536 -7.9022 -7.9022 -7.8805 -7.8805 -7.8618 -7.8618 -2.3331 -2.3331 -1.6989 -1.6989 4.8384 4.8384 5.0267 5.0267 5.1137 5.1137 5.2075 5.2075 5.3045 5.3045 5.8096 5.8096 6.0659 6.0659 6.0882 6.0882 6.1319 6.1319 6.2637 6.2637 6.3697 6.3697 7.7212 7.7212 8.6609 8.6609 8.6824 8.6824 9.3559 9.3559 9.4340 9.4340 9.6586 9.6586 10.1706 10.1706 10.2963 10.2963 11.3156 11.3156 11.3337 11.3337 k = 0.0000 0.0000 0.0399 ( 4745 PWs) bands (ev): -26.2388 -26.2388 -26.2318 -26.2318 -9.1021 -9.1021 -9.0344 -9.0344 -8.0525 -8.0525 -7.9037 -7.9037 -7.8803 -7.8803 -7.8619 -7.8619 -2.3280 -2.3280 -1.7048 -1.7048 4.8500 4.8500 5.0282 5.0282 5.1156 5.1156 5.2059 5.2059 5.3027 5.3027 5.8070 5.8070 6.0662 6.0662 6.0875 6.0875 6.1330 6.1330 6.2625 6.2625 6.3719 6.3719 7.6838 7.6838 8.6653 8.6653 8.6872 8.6872 9.3462 9.3462 9.4241 9.4241 9.6945 9.6945 10.1709 10.1709 10.3104 10.3104 11.3247 11.3247 11.3431 11.3431 k = 0.0000 0.0000 0.0532 ( 4733 PWs) bands (ev): -26.2387 -26.2387 -26.2319 -26.2319 -9.1012 -9.1012 -9.0352 -9.0352 -8.0509 -8.0509 -7.9058 -7.9058 -7.8801 -7.8801 -7.8621 -7.8621 -2.3209 -2.3209 -1.7130 -1.7130 4.8661 4.8661 5.0304 5.0304 5.1183 5.1183 5.2037 5.2037 5.3003 5.3003 5.8033 5.8033 6.0665 6.0665 6.0866 6.0866 6.1344 6.1344 6.2607 6.2607 6.3749 6.3749 7.6346 7.6346 8.6715 8.6715 8.6938 8.6938 9.3332 9.3332 9.4106 9.4106 9.7401 9.7401 10.1713 10.1713 10.3316 10.3316 11.3374 11.3374 11.3562 11.3562 k = 0.0000 0.0000 0.0665 ( 4733 PWs) bands (ev): -26.2386 -26.2386 -26.2320 -26.2320 -9.1000 -9.1000 -9.0361 -9.0361 -8.0489 -8.0489 -7.9084 -7.9084 -7.8798 -7.8798 -7.8624 -7.8624 -2.3118 -2.3118 -1.7234 -1.7234 4.8864 4.8864 5.0331 5.0331 5.1218 5.1218 5.2010 5.2010 5.2971 5.2971 5.7983 5.7983 6.0668 6.0668 6.0854 6.0854 6.1362 6.1362 6.2585 6.2585 6.3789 6.3789 7.5757 7.5757 8.6795 8.6795 8.7023 8.7023 9.3174 9.3174 9.3936 9.3936 9.7914 9.7914 10.1717 10.1717 10.3614 10.3614 11.3537 11.3537 11.3730 11.3730 k = 0.0000 0.0000 0.0798 ( 4715 PWs) bands (ev): -26.2385 -26.2385 -26.2321 -26.2321 -9.0986 -9.0986 -9.0372 -9.0372 -8.0465 -8.0465 -7.9116 -7.9116 -7.8795 -7.8795 -7.8628 -7.8628 -2.3008 -2.3008 -1.7360 -1.7360 4.9109 4.9109 5.0364 5.0364 5.1261 5.1261 5.1976 5.1976 5.2933 5.2933 5.7919 5.7919 6.0673 6.0673 6.0842 6.0842 6.1385 6.1385 6.2558 6.2558 6.3842 6.3842 7.5094 7.5094 8.6891 8.6891 8.7126 8.7126 9.2988 9.2988 9.3736 9.3736 9.8445 9.8445 10.1722 10.1722 10.4014 10.4014 11.3737 11.3737 11.3935 11.3935 k = 0.0000 0.0000 0.0931 ( 4721 PWs) bands (ev): -26.2383 -26.2383 -26.2323 -26.2323 -9.0969 -9.0969 -9.0385 -9.0385 -8.0437 -8.0437 -7.9153 -7.9153 -7.8791 -7.8791 -7.8632 -7.8632 -2.2879 -2.2879 -1.7505 -1.7505 4.9390 4.9390 5.0403 5.0403 5.1313 5.1313 5.1937 5.1937 5.2889 5.2889 5.7837 5.7837 6.0676 6.0676 6.0826 6.0826 6.1410 6.1410 6.2527 6.2527 6.3905 6.3905 7.4378 7.4378 8.7004 8.7004 8.7247 8.7247 9.2780 9.2780 9.3509 9.3509 9.8955 9.8955 10.1727 10.1727 10.4535 10.4535 11.3973 11.3973 11.4177 11.4177 k = 0.0000 0.0000 0.1064 ( 4709 PWs) bands (ev): -26.2381 -26.2381 -26.2324 -26.2324 -9.0951 -9.0951 -9.0400 -9.0400 -8.0405 -8.0405 -7.9194 -7.9194 -7.8786 -7.8786 -7.8636 -7.8636 -2.2733 -2.2733 -1.7670 -1.7670 4.9705 4.9705 5.0447 5.0447 5.1376 5.1376 5.1893 5.1893 5.2839 5.2839 5.7738 5.7738 6.0681 6.0681 6.0810 6.0810 6.1440 6.1440 6.2492 6.2492 6.3982 6.3982 7.3629 7.3629 8.7133 8.7133 8.7386 8.7386 9.2551 9.2551 9.3259 9.3259 9.9416 9.9416 10.1731 10.1731 10.5186 10.5186 11.4245 11.4245 11.4457 11.4457 k = 0.0000 0.0000 0.1197 ( 4715 PWs) bands (ev): -26.2380 -26.2380 -26.2326 -26.2326 -9.0930 -9.0930 -9.0417 -9.0417 -8.0368 -8.0368 -7.9240 -7.9240 -7.8781 -7.8781 -7.8641 -7.8641 -2.2570 -2.2570 -1.7852 -1.7852 5.0047 5.0047 5.0495 5.0495 5.1452 5.1452 5.1843 5.1843 5.2784 5.2784 5.7618 5.7618 6.0684 6.0684 6.0793 6.0793 6.1473 6.1473 6.2453 6.2453 6.4074 6.4074 7.2861 7.2861 8.7279 8.7279 8.7541 8.7541 9.2304 9.2304 9.2989 9.2989 9.9813 9.9813 10.1733 10.1733 10.5967 10.5967 11.4553 11.4553 11.4773 11.4773 k = 0.0000 0.0000 0.1330 ( 4714 PWs) bands (ev): -26.2377 -26.2377 -26.2328 -26.2328 -9.0908 -9.0908 -9.0435 -9.0435 -8.0328 -8.0328 -7.9290 -7.9290 -7.8776 -7.8776 -7.8647 -7.8647 -2.2392 -2.2392 -1.8050 -1.8050 5.0405 5.0405 5.0549 5.0549 5.1549 5.1549 5.1789 5.1789 5.2723 5.2723 5.7475 5.7475 6.0686 6.0686 6.0777 6.0777 6.1509 6.1509 6.2411 6.2411 6.4184 6.4184 7.2090 7.2090 8.7440 8.7440 8.7714 8.7714 9.2044 9.2044 9.2704 9.2704 10.0146 10.0146 10.1733 10.1733 10.6867 10.6867 11.4897 11.4897 11.5126 11.5126 k = 0.0000 0.0000 0.1463 ( 4714 PWs) bands (ev): -26.2375 -26.2375 -26.2331 -26.2331 -9.0884 -9.0884 -9.0455 -9.0455 -8.0285 -8.0285 -7.9343 -7.9343 -7.8770 -7.8770 -7.8653 -7.8653 -2.2198 -2.2198 -1.8263 -1.8263 5.0606 5.0606 5.0759 5.0759 5.1681 5.1681 5.1731 5.1731 5.2657 5.2657 5.7305 5.7305 6.0689 6.0689 6.0761 6.0761 6.1548 6.1548 6.2365 6.2365 6.4314 6.4314 7.1326 7.1326 8.7616 8.7616 8.7903 8.7903 9.1771 9.1771 9.2406 9.2406 10.0421 10.0421 10.1731 10.1731 10.7867 10.7867 11.5277 11.5277 11.5516 11.5516 k = 0.0000 0.0000 0.1597 ( 4726 PWs) bands (ev): -26.2373 -26.2373 -26.2333 -26.2333 -9.0859 -9.0859 -9.0477 -9.0477 -8.0238 -8.0238 -7.9399 -7.9399 -7.8763 -7.8763 -7.8659 -7.8659 -2.1991 -2.1991 -1.8488 -1.8488 5.0667 5.0667 5.1074 5.1074 5.1669 5.1669 5.1879 5.1879 5.2587 5.2587 5.7106 5.7106 6.0691 6.0691 6.0744 6.0744 6.1588 6.1588 6.2319 6.2319 6.4467 6.4467 7.0581 7.0581 8.7806 8.7806 8.8107 8.8107 9.1491 9.1491 9.2099 9.2099 10.0649 10.0649 10.1724 10.1724 10.8948 10.8948 11.5692 11.5692 11.5942 11.5942 k = 0.0000 0.0000 0.1730 ( 4720 PWs) bands (ev): -26.2370 -26.2370 -26.2336 -26.2336 -9.0832 -9.0832 -9.0500 -9.0500 -8.0187 -8.0187 -7.9458 -7.9458 -7.8757 -7.8757 -7.8666 -7.8666 -2.1771 -2.1771 -1.8724 -1.8724 5.0732 5.0732 5.1314 5.1314 5.1604 5.1604 5.2175 5.2175 5.2513 5.2513 5.6877 5.6877 6.0692 6.0692 6.0731 6.0731 6.1633 6.1633 6.2269 6.2269 6.4646 6.4646 6.9863 6.9863 8.8010 8.8010 8.8327 8.8327 9.1204 9.1204 9.1785 9.1785 10.0839 10.0839 10.1714 10.1714 11.0092 11.0092 11.6141 11.6141 11.6404 11.6404 k = 0.0000 0.0000 0.1863 ( 4732 PWs) bands (ev): -26.2368 -26.2368 -26.2338 -26.2338 -9.0805 -9.0805 -9.0525 -9.0525 -8.0134 -8.0134 -7.9519 -7.9519 -7.8750 -7.8750 -7.8673 -7.8673 -2.1541 -2.1541 -1.8970 -1.8970 5.0799 5.0799 5.1482 5.1482 5.1536 5.1536 5.2435 5.2435 5.2560 5.2560 5.6614 5.6614 6.0691 6.0691 6.0719 6.0719 6.1680 6.1680 6.2216 6.2216 6.4852 6.4852 6.9179 6.9179 8.8228 8.8228 8.8561 8.8561 9.0914 9.0914 9.1469 9.1469 10.0999 10.0999 10.1697 10.1697 11.1284 11.1284 11.6626 11.6626 11.6902 11.6902 k = 0.0000 0.0000 0.1996 ( 4744 PWs) bands (ev): -26.2365 -26.2365 -26.2341 -26.2341 -9.0777 -9.0777 -9.0550 -9.0550 -8.0078 -8.0078 -7.9581 -7.9581 -7.8742 -7.8742 -7.8681 -7.8681 -2.1300 -2.1300 -1.9223 -1.9223 5.0870 5.0870 5.1465 5.1465 5.1610 5.1610 5.2354 5.2354 5.2993 5.2993 5.6317 5.6317 6.0691 6.0691 6.0709 6.0709 6.1729 6.1729 6.2162 6.2162 6.5091 6.5091 6.8535 6.8535 8.8458 8.8458 8.8808 8.8808 9.0622 9.0622 9.1151 9.1151 10.1134 10.1134 10.1675 10.1675 11.2513 11.2513 11.7143 11.7143 11.7435 11.7435 k = 0.0000 0.0000 0.2129 ( 4744 PWs) bands (ev): -26.2362 -26.2362 -26.2344 -26.2344 -9.0748 -9.0748 -9.0577 -9.0577 -8.0020 -8.0020 -7.9644 -7.9644 -7.8735 -7.8735 -7.8688 -7.8688 -2.1052 -2.1052 -1.9482 -1.9482 5.0942 5.0942 5.1392 5.1392 5.1719 5.1719 5.2270 5.2270 5.3450 5.3450 5.5986 5.5986 6.0690 6.0690 6.0702 6.0702 6.1780 6.1780 6.2107 6.2107 6.5365 6.5365 6.7938 6.7938 8.8699 8.8699 8.9068 8.9068 9.0332 9.0332 9.0835 9.0835 10.1249 10.1249 10.1645 10.1645 11.3768 11.3768 11.7691 11.7691 11.8003 11.8003 k = 0.0000 0.0000 0.2262 ( 4744 PWs) bands (ev): -26.2359 -26.2359 -26.2347 -26.2347 -9.0719 -9.0719 -9.0604 -9.0604 -7.9960 -7.9960 -7.9708 -7.9708 -7.8727 -7.8727 -7.8696 -7.8696 -2.0797 -2.0797 -1.9745 -1.9745 5.1016 5.1016 5.1318 5.1318 5.1819 5.1819 5.2184 5.2184 5.3911 5.3911 5.5623 5.5623 6.0690 6.0690 6.0696 6.0696 6.1833 6.1833 6.2052 6.2052 6.5679 6.5679 6.7388 6.7388 8.8951 8.8951 8.9340 8.9340 9.0044 9.0044 9.0523 9.0523 10.1347 10.1347 10.1606 10.1606 11.5040 11.5040 11.8256 11.8256 11.8605 11.8605 k = 0.0000 0.0000 0.2395 ( 4732 PWs) bands (ev): -26.2356 -26.2356 -26.2350 -26.2350 -9.0690 -9.0690 -9.0632 -9.0632 -7.9899 -7.9899 -7.9772 -7.9772 -7.8719 -7.8719 -7.8704 -7.8704 -2.0537 -2.0537 -2.0009 -2.0009 5.1091 5.1091 5.1243 5.1243 5.1914 5.1914 5.2097 5.2097 5.4367 5.4367 5.5229 5.5229 6.0691 6.0691 6.0693 6.0693 6.1887 6.1887 6.1997 6.1997 6.6035 6.6035 6.6888 6.6888 8.9213 8.9213 8.9623 8.9623 8.9761 8.9761 9.0216 9.0216 10.1430 10.1430 10.1558 10.1558 11.6321 11.6321 11.8620 11.8620 11.9240 11.9240 k = 0.0000 0.0000 0.2528 ( 4738 PWs) bands (ev): -26.2353 -26.2353 -26.2353 -26.2353 -9.0661 -9.0661 -9.0661 -9.0661 -7.9836 -7.9836 -7.9836 -7.9836 -7.8712 -7.8712 -7.8712 -7.8712 -2.0274 -2.0274 -2.0274 -2.0274 5.1167 5.1167 5.1167 5.1167 5.2007 5.2007 5.2007 5.2007 5.4808 5.4808 5.4808 5.4808 6.0691 6.0691 6.0691 6.0691 6.1941 6.1941 6.1941 6.1941 6.6437 6.6437 6.6437 6.6437 8.9483 8.9483 8.9483 8.9483 8.9915 8.9915 8.9915 8.9915 10.1500 10.1500 10.1500 10.1500 11.7593 11.7593 11.7593 11.7593 11.9634 11.9634 k = 0.0000 0.0000 0.2528 ( 4738 PWs) bands (ev): -26.2353 -26.2353 -26.2353 -26.2353 -9.0661 -9.0661 -9.0661 -9.0661 -7.9836 -7.9836 -7.9836 -7.9836 -7.8712 -7.8712 -7.8712 -7.8712 -2.0274 -2.0274 -2.0274 -2.0274 5.1167 5.1167 5.1167 5.1167 5.2007 5.2007 5.2007 5.2007 5.4808 5.4808 5.4808 5.4808 6.0691 6.0691 6.0691 6.0691 6.1941 6.1941 6.1941 6.1941 6.6437 6.6437 6.6437 6.6437 8.9483 8.9483 8.9483 8.9483 8.9915 8.9915 8.9915 8.9915 10.1500 10.1500 10.1500 10.1500 11.7593 11.7593 11.7593 11.7593 11.9634 11.9634 k = 0.0116 0.0067 0.2528 ( 4752 PWs) bands (ev): -26.2353 -26.2353 -26.2353 -26.2353 -9.0662 -9.0662 -9.0662 -9.0662 -7.9836 -7.9836 -7.9836 -7.9836 -7.8713 -7.8713 -7.8713 -7.8713 -2.0267 -2.0267 -2.0267 -2.0267 5.1160 5.1160 5.1160 5.1160 5.1999 5.1999 5.1999 5.1999 5.4817 5.4817 5.4817 5.4817 6.0692 6.0692 6.0692 6.0692 6.1943 6.1943 6.1943 6.1943 6.6446 6.6446 6.6446 6.6446 8.9387 8.9387 8.9387 8.9387 8.9829 8.9829 8.9829 8.9829 10.1648 10.1648 10.1648 10.1648 11.7497 11.7497 11.7497 11.7497 11.9666 11.9666 k = 0.0233 0.0134 0.2528 ( 4754 PWs) bands (ev): -26.2352 -26.2352 -26.2352 -26.2352 -9.0663 -9.0663 -9.0663 -9.0663 -7.9837 -7.9837 -7.9837 -7.9837 -7.8719 -7.8719 -7.8719 -7.8719 -2.0245 -2.0245 -2.0245 -2.0245 5.1141 5.1141 5.1141 5.1141 5.1979 5.1979 5.1979 5.1979 5.4844 5.4844 5.4844 5.4844 6.0694 6.0694 6.0694 6.0694 6.1948 6.1948 6.1948 6.1948 6.6474 6.6474 6.6474 6.6474 8.9034 8.9034 8.9034 8.9034 8.9658 8.9658 8.9658 8.9658 10.2069 10.2069 10.2069 10.2069 11.7242 11.7242 11.7242 11.7242 11.9739 11.9739 k = 0.0349 0.0201 0.2528 ( 4758 PWs) bands (ev): -26.2352 -26.2352 -26.2352 -26.2352 -9.0666 -9.0666 -9.0666 -9.0666 -7.9837 -7.9837 -7.9837 -7.9837 -7.8728 -7.8728 -7.8728 -7.8728 -2.0209 -2.0209 -2.0209 -2.0209 5.1103 5.1103 5.1103 5.1103 5.1954 5.1954 5.1954 5.1954 5.4885 5.4885 5.4885 5.4885 6.0698 6.0698 6.0698 6.0698 6.1957 6.1957 6.1957 6.1957 6.6521 6.6521 6.6521 6.6521 8.8406 8.8406 8.8406 8.8406 8.9477 8.9477 8.9477 8.9477 10.2704 10.2704 10.2704 10.2704 11.6894 11.6894 11.6894 11.6894 11.9831 11.9831 k = 0.0465 0.0269 0.2528 ( 4758 PWs) bands (ev): -26.2351 -26.2351 -26.2351 -26.2351 -9.0671 -9.0671 -9.0671 -9.0671 -7.9838 -7.9838 -7.9838 -7.9838 -7.8741 -7.8741 -7.8741 -7.8741 -2.0159 -2.0159 -2.0159 -2.0159 5.1041 5.1041 5.1041 5.1041 5.1932 5.1932 5.1932 5.1932 5.4940 5.4940 5.4940 5.4940 6.0703 6.0703 6.0703 6.0703 6.1968 6.1968 6.1968 6.1968 6.6586 6.6586 6.6586 6.6586 8.7588 8.7588 8.7588 8.7588 8.9267 8.9267 8.9267 8.9267 10.3486 10.3486 10.3486 10.3486 11.6503 11.6503 11.6503 11.6503 11.9941 11.9941 k = 0.0581 0.0336 0.2528 ( 4754 PWs) bands (ev): -26.2349 -26.2349 -26.2349 -26.2349 -9.0676 -9.0676 -9.0676 -9.0676 -7.9840 -7.9840 -7.9840 -7.9840 -7.8758 -7.8758 -7.8758 -7.8758 -2.0095 -2.0095 -2.0095 -2.0095 5.0948 5.0948 5.0948 5.0948 5.1923 5.1923 5.1923 5.1923 5.5006 5.5006 5.5006 5.5006 6.0710 6.0710 6.0710 6.0710 6.1983 6.1983 6.1983 6.1983 6.6669 6.6669 6.6669 6.6669 8.6646 8.6646 8.6646 8.6646 8.9014 8.9014 8.9014 8.9014 10.4352 10.4352 10.4352 10.4352 11.6098 11.6098 11.6098 11.6098 12.0056 12.0056 k = 0.0698 0.0403 0.2528 ( 4762 PWs) bands (ev): -26.2348 -26.2348 -26.2348 -26.2348 -9.0683 -9.0683 -9.0683 -9.0683 -7.9842 -7.9842 -7.9842 -7.9842 -7.8777 -7.8777 -7.8777 -7.8777 -2.0017 -2.0017 -2.0017 -2.0017 5.0821 5.0821 5.0821 5.0821 5.1931 5.1931 5.1931 5.1931 5.5078 5.5078 5.5078 5.5078 6.0717 6.0717 6.0717 6.0717 6.2000 6.2000 6.2000 6.2000 6.6771 6.6771 6.6771 6.6771 8.5627 8.5627 8.5627 8.5627 8.8717 8.8717 8.8717 8.8717 10.5250 10.5250 10.5250 10.5250 11.5701 11.5701 11.5701 11.5701 12.0103 12.0103 k = 0.0814 0.0470 0.2528 ( 4754 PWs) bands (ev): -26.2346 -26.2346 -26.2346 -26.2346 -9.0691 -9.0691 -9.0691 -9.0691 -7.9844 -7.9844 -7.9844 -7.9844 -7.8800 -7.8800 -7.8800 -7.8800 -1.9926 -1.9926 -1.9926 -1.9926 5.0662 5.0662 5.0662 5.0662 5.1960 5.1960 5.1960 5.1960 5.5155 5.5155 5.5155 5.5155 6.0725 6.0725 6.0725 6.0725 6.2021 6.2021 6.2021 6.2021 6.6891 6.6891 6.6891 6.6891 8.4561 8.4561 8.4561 8.4561 8.8377 8.8377 8.8377 8.8377 10.6131 10.6131 10.6131 10.6131 11.5330 11.5330 11.5330 11.5330 12.0001 12.0001 k = 0.0930 0.0537 0.2528 ( 4756 PWs) bands (ev): -26.2344 -26.2344 -26.2344 -26.2344 -9.0700 -9.0700 -9.0700 -9.0700 -7.9847 -7.9847 -7.9847 -7.9847 -7.8825 -7.8825 -7.8825 -7.8825 -1.9822 -1.9822 -1.9822 -1.9822 5.0472 5.0472 5.0472 5.0472 5.2007 5.2007 5.2007 5.2007 5.5235 5.5235 5.5235 5.5235 6.0735 6.0735 6.0735 6.0735 6.2043 6.2043 6.2043 6.2043 6.7029 6.7029 6.7029 6.7029 8.3469 8.3469 8.3469 8.3469 8.7997 8.7997 8.7997 8.7997 10.6945 10.6945 10.6945 10.6945 11.5007 11.5007 11.5007 11.5007 11.9819 11.9819 k = 0.1047 0.0604 0.2528 ( 4760 PWs) bands (ev): -26.2341 -26.2341 -26.2341 -26.2341 -9.0710 -9.0710 -9.0710 -9.0710 -7.9850 -7.9850 -7.9850 -7.9850 -7.8853 -7.8853 -7.8853 -7.8853 -1.9704 -1.9704 -1.9704 -1.9704 5.0257 5.0257 5.0257 5.0257 5.2070 5.2070 5.2070 5.2070 5.5315 5.5315 5.5315 5.5315 6.0744 6.0744 6.0744 6.0744 6.2067 6.2067 6.2067 6.2067 6.7184 6.7184 6.7184 6.7184 8.2367 8.2367 8.2367 8.2367 8.7580 8.7580 8.7580 8.7580 10.7637 10.7637 10.7637 10.7637 11.4752 11.4752 11.4752 11.4752 11.9623 11.9623 k = 0.1163 0.0671 0.2528 ( 4756 PWs) bands (ev): -26.2339 -26.2339 -26.2339 -26.2339 -9.0721 -9.0721 -9.0721 -9.0721 -7.9854 -7.9854 -7.9854 -7.9854 -7.8884 -7.8884 -7.8884 -7.8884 -1.9575 -1.9575 -1.9575 -1.9575 5.0019 5.0019 5.0019 5.0019 5.2149 5.2149 5.2149 5.2149 5.5395 5.5395 5.5395 5.5395 6.0754 6.0754 6.0754 6.0754 6.2093 6.2093 6.2093 6.2093 6.7355 6.7355 6.7355 6.7355 8.1267 8.1267 8.1267 8.1267 8.7131 8.7131 8.7131 8.7131 10.8147 10.8147 10.8147 10.8147 11.4584 11.4584 11.4584 11.4584 11.9475 11.9475 k = 0.1279 0.0738 0.2528 ( 4764 PWs) bands (ev): -26.2336 -26.2336 -26.2336 -26.2336 -9.0733 -9.0733 -9.0733 -9.0733 -7.9859 -7.9859 -7.9859 -7.9859 -7.8916 -7.8916 -7.8916 -7.8916 -1.9434 -1.9434 -1.9434 -1.9434 4.9762 4.9762 4.9762 4.9762 5.2240 5.2240 5.2240 5.2240 5.5472 5.5472 5.5472 5.5472 6.0763 6.0763 6.0763 6.0763 6.2120 6.2120 6.2120 6.2120 6.7542 6.7542 6.7542 6.7542 8.0179 8.0179 8.0179 8.0179 8.6652 8.6652 8.6652 8.6652 10.8430 10.8430 10.8430 10.8430 11.4504 11.4504 11.4504 11.4504 11.9436 11.9436 k = 0.1395 0.0806 0.2528 ( 4768 PWs) bands (ev): -26.2333 -26.2333 -26.2333 -26.2333 -9.0746 -9.0746 -9.0746 -9.0746 -7.9865 -7.9865 -7.9865 -7.9865 -7.8949 -7.8949 -7.8949 -7.8949 -1.9282 -1.9282 -1.9282 -1.9282 4.9486 4.9486 4.9486 4.9486 5.2342 5.2342 5.2342 5.2342 5.5545 5.5545 5.5545 5.5545 6.0773 6.0773 6.0773 6.0773 6.2148 6.2148 6.2148 6.2148 6.7742 6.7742 6.7742 6.7742 7.9110 7.9110 7.9110 7.9110 8.6148 8.6148 8.6148 8.6148 10.8474 10.8474 10.8474 10.8474 11.4477 11.4477 11.4477 11.4477 11.9566 11.9566 k = 0.1512 0.0873 0.2528 ( 4768 PWs) bands (ev): -26.2330 -26.2330 -26.2330 -26.2330 -9.0761 -9.0761 -9.0761 -9.0761 -7.9871 -7.9871 -7.9871 -7.9871 -7.8984 -7.8984 -7.8984 -7.8984 -1.9120 -1.9120 -1.9120 -1.9120 4.9195 4.9195 4.9195 4.9195 5.2456 5.2456 5.2456 5.2456 5.5615 5.5615 5.5615 5.5615 6.0783 6.0783 6.0783 6.0783 6.2176 6.2176 6.2176 6.2176 6.7953 6.7953 6.7953 6.7953 7.8069 7.8069 7.8069 7.8069 8.5622 8.5622 8.5622 8.5622 10.8307 10.8307 10.8307 10.8307 11.4447 11.4447 11.4447 11.4447 11.9905 11.9905 k = 0.1628 0.0940 0.2528 ( 4766 PWs) bands (ev): -26.2326 -26.2326 -26.2326 -26.2326 -9.0776 -9.0776 -9.0776 -9.0776 -7.9879 -7.9879 -7.9879 -7.9879 -7.9020 -7.9020 -7.9020 -7.9020 -1.8948 -1.8948 -1.8948 -1.8948 4.8889 4.8889 4.8889 4.8889 5.2581 5.2581 5.2581 5.2581 5.5679 5.5679 5.5679 5.5679 6.0792 6.0792 6.0792 6.0792 6.2206 6.2206 6.2206 6.2206 6.8171 6.8171 6.8171 6.8171 7.7063 7.7063 7.7063 7.7063 8.5079 8.5079 8.5079 8.5079 10.7974 10.7974 10.7974 10.7974 11.4376 11.4376 11.4376 11.4376 12.0451 12.0451 k = 0.1744 0.1007 0.2528 ( 4754 PWs) bands (ev): -26.2323 -26.2323 -26.2323 -26.2323 -9.0792 -9.0792 -9.0792 -9.0792 -7.9889 -7.9889 -7.9889 -7.9889 -7.9055 -7.9055 -7.9055 -7.9055 -1.8766 -1.8766 -1.8766 -1.8766 4.8570 4.8570 4.8570 4.8570 5.2715 5.2715 5.2715 5.2715 5.5739 5.5739 5.5739 5.5739 6.0802 6.0802 6.0802 6.0802 6.2235 6.2235 6.2235 6.2235 6.8390 6.8390 6.8390 6.8390 7.6102 7.6102 7.6102 7.6102 8.4520 8.4520 8.4520 8.4520 10.7525 10.7525 10.7525 10.7525 11.4254 11.4254 11.4254 11.4254 12.1170 12.1170 k = 0.1860 0.1074 0.2528 ( 4754 PWs) bands (ev): -26.2319 -26.2319 -26.2319 -26.2319 -9.0809 -9.0809 -9.0809 -9.0809 -7.9900 -7.9900 -7.9900 -7.9900 -7.9090 -7.9090 -7.9090 -7.9090 -1.8576 -1.8576 -1.8576 -1.8576 4.8238 4.8238 4.8238 4.8238 5.2858 5.2858 5.2858 5.2858 5.5793 5.5793 5.5793 5.5793 6.0809 6.0809 6.0809 6.0809 6.2262 6.2262 6.2262 6.2262 6.8601 6.8601 6.8601 6.8601 7.5199 7.5199 7.5199 7.5199 8.3949 8.3949 8.3949 8.3949 10.6997 10.6997 10.6997 10.6997 11.4094 11.4094 11.4094 11.4094 12.2018 12.2018 k = 0.1977 0.1141 0.2528 ( 4748 PWs) bands (ev): -26.2315 -26.2315 -26.2315 -26.2315 -9.0826 -9.0826 -9.0826 -9.0826 -7.9913 -7.9913 -7.9913 -7.9913 -7.9125 -7.9125 -7.9125 -7.9125 -1.8379 -1.8379 -1.8379 -1.8379 4.7894 4.7894 4.7894 4.7894 5.3009 5.3009 5.3009 5.3009 5.5841 5.5841 5.5841 5.5841 6.0817 6.0817 6.0817 6.0817 6.2290 6.2290 6.2290 6.2290 6.8787 6.8787 6.8787 6.8787 7.4370 7.4370 7.4370 7.4370 8.3370 8.3370 8.3370 8.3370 10.6416 10.6416 10.6416 10.6416 11.3910 11.3910 11.3910 11.3910 12.2953 12.2953 k = 0.2093 0.1208 0.2528 ( 4748 PWs) bands (ev): -26.2312 -26.2312 -26.2312 -26.2312 -9.0844 -9.0844 -9.0844 -9.0844 -7.9927 -7.9927 -7.9927 -7.9927 -7.9158 -7.9158 -7.9158 -7.9158 -1.8175 -1.8175 -1.8175 -1.8175 4.7540 4.7540 4.7540 4.7540 5.3169 5.3169 5.3169 5.3169 5.5883 5.5883 5.5883 5.5883 6.0823 6.0823 6.0823 6.0823 6.2316 6.2316 6.2316 6.2316 6.8923 6.8923 6.8923 6.8923 7.3644 7.3644 7.3644 7.3644 8.2784 8.2784 8.2784 8.2784 10.5803 10.5803 10.5803 10.5803 11.3715 11.3715 11.3715 11.3715 12.3944 12.3944 k = 0.2209 0.1276 0.2528 ( 4756 PWs) bands (ev): -26.2308 -26.2308 -26.2308 -26.2308 -9.0863 -9.0863 -9.0863 -9.0863 -7.9944 -7.9944 -7.9944 -7.9944 -7.9190 -7.9190 -7.9190 -7.9190 -1.7966 -1.7966 -1.7966 -1.7966 4.7176 4.7176 4.7176 4.7176 5.3335 5.3335 5.3335 5.3335 5.5919 5.5919 5.5919 5.5919 6.0829 6.0829 6.0829 6.0829 6.2341 6.2341 6.2341 6.2341 6.8968 6.8968 6.8968 6.8968 7.3061 7.3061 7.3061 7.3061 8.2196 8.2196 8.2196 8.2196 10.5172 10.5172 10.5172 10.5172 11.3516 11.3516 11.3516 11.3516 12.4961 12.4961 k = 0.2326 0.1343 0.2528 ( 4760 PWs) bands (ev): -26.2304 -26.2304 -26.2304 -26.2304 -9.0882 -9.0882 -9.0882 -9.0882 -7.9963 -7.9963 -7.9963 -7.9963 -7.9220 -7.9220 -7.9220 -7.9220 -1.7752 -1.7752 -1.7752 -1.7752 4.6804 4.6804 4.6804 4.6804 5.3508 5.3508 5.3508 5.3508 5.5949 5.5949 5.5949 5.5949 6.0834 6.0834 6.0834 6.0834 6.2364 6.2364 6.2364 6.2364 6.8875 6.8875 6.8875 6.8875 7.2670 7.2670 7.2670 7.2670 8.1606 8.1606 8.1606 8.1606 10.4535 10.4535 10.4535 10.4535 11.3317 11.3317 11.3317 11.3317 12.5930 12.5930 k = 0.2442 0.1410 0.2528 ( 4752 PWs) bands (ev): -26.2300 -26.2300 -26.2300 -26.2300 -9.0902 -9.0902 -9.0902 -9.0902 -7.9985 -7.9985 -7.9985 -7.9985 -7.9247 -7.9247 -7.9247 -7.9247 -1.7534 -1.7534 -1.7534 -1.7534 4.6425 4.6425 4.6425 4.6425 5.3688 5.3688 5.3688 5.3688 5.5974 5.5974 5.5974 5.5974 6.0838 6.0838 6.0838 6.0838 6.2386 6.2386 6.2386 6.2386 6.8619 6.8619 6.8619 6.8619 7.2496 7.2496 7.2496 7.2496 8.1018 8.1018 8.1018 8.1018 10.3899 10.3899 10.3899 10.3899 11.3120 11.3120 11.3120 11.3120 12.6645 12.6645 k = 0.2558 0.1477 0.2528 ( 4752 PWs) bands (ev): -26.2296 -26.2296 -26.2296 -26.2296 -9.0922 -9.0922 -9.0922 -9.0922 -8.0008 -8.0008 -8.0008 -8.0008 -7.9272 -7.9272 -7.9272 -7.9272 -1.7313 -1.7313 -1.7313 -1.7313 4.6039 4.6039 4.6039 4.6039 5.3873 5.3873 5.3873 5.3873 5.5993 5.5993 5.5993 5.5993 6.0841 6.0841 6.0841 6.0841 6.2406 6.2406 6.2406 6.2406 6.8222 6.8222 6.8222 6.8222 7.2515 7.2515 7.2515 7.2515 8.0433 8.0433 8.0433 8.0433 10.3272 10.3272 10.3272 10.3272 11.2925 11.2925 11.2925 11.2925 12.7302 12.7302 k = 0.2674 0.1544 0.2528 ( 4744 PWs) bands (ev): -26.2291 -26.2291 -26.2291 -26.2291 -9.0942 -9.0942 -9.0942 -9.0942 -8.0034 -8.0034 -8.0034 -8.0034 -7.9294 -7.9294 -7.9294 -7.9294 -1.7091 -1.7091 -1.7091 -1.7091 4.5649 4.5649 4.5649 4.5649 5.4064 5.4064 5.4064 5.4064 5.6006 5.6006 5.6006 5.6006 6.0843 6.0843 6.0843 6.0843 6.2424 6.2424 6.2424 6.2424 6.7738 6.7738 6.7738 6.7738 7.2673 7.2673 7.2673 7.2673 7.9855 7.9855 7.9855 7.9855 10.2658 10.2658 10.2658 10.2658 11.2731 11.2731 11.2731 11.2731 12.7972 12.7972 k = 0.2791 0.1611 0.2528 ( 4752 PWs) bands (ev): -26.2287 -26.2287 -26.2287 -26.2287 -9.0962 -9.0962 -9.0962 -9.0962 -8.0061 -8.0061 -8.0061 -8.0061 -7.9313 -7.9313 -7.9313 -7.9313 -1.6868 -1.6868 -1.6868 -1.6868 4.5257 4.5257 4.5257 4.5257 5.4257 5.4257 5.4257 5.4257 5.6015 5.6015 5.6015 5.6015 6.0844 6.0844 6.0844 6.0844 6.2439 6.2439 6.2439 6.2439 6.7214 6.7214 6.7214 6.7214 7.2921 7.2921 7.2921 7.2921 7.9285 7.9285 7.9285 7.9285 10.2062 10.2062 10.2062 10.2062 11.2537 11.2537 11.2537 11.2537 12.8660 12.8660 k = 0.2907 0.1678 0.2528 ( 4750 PWs) bands (ev): -26.2284 -26.2284 -26.2284 -26.2284 -9.0982 -9.0982 -9.0982 -9.0982 -8.0090 -8.0090 -8.0090 -8.0090 -7.9330 -7.9330 -7.9330 -7.9330 -1.6646 -1.6646 -1.6646 -1.6646 4.4863 4.4863 4.4863 4.4863 5.4454 5.4454 5.4454 5.4454 5.6021 5.6021 5.6021 5.6021 6.0844 6.0844 6.0844 6.0844 6.2452 6.2452 6.2452 6.2452 6.6684 6.6684 6.6684 6.6684 7.3223 7.3223 7.3223 7.3223 7.8725 7.8725 7.8725 7.8725 10.1487 10.1487 10.1487 10.1487 11.2343 11.2343 11.2343 11.2343 12.9366 12.9366 k = 0.3023 0.1745 0.2528 ( 4752 PWs) bands (ev): -26.2280 -26.2280 -26.2280 -26.2280 -9.1002 -9.1002 -9.1002 -9.1002 -8.0119 -8.0119 -8.0119 -8.0119 -7.9345 -7.9345 -7.9345 -7.9345 -1.6426 -1.6426 -1.6426 -1.6426 4.4471 4.4471 4.4471 4.4471 5.4652 5.4652 5.4652 5.4652 5.6023 5.6023 5.6023 5.6023 6.0843 6.0843 6.0843 6.0843 6.2463 6.2463 6.2463 6.2463 6.6165 6.6165 6.6165 6.6165 7.3560 7.3560 7.3560 7.3560 7.8178 7.8178 7.8178 7.8178 10.0936 10.0936 10.0936 10.0936 11.2147 11.2147 11.2147 11.2147 13.0088 13.0088 k = 0.3140 0.1813 0.2528 ( 4752 PWs) bands (ev): -26.2276 -26.2276 -26.2276 -26.2276 -9.1022 -9.1022 -9.1022 -9.1022 -8.0150 -8.0150 -8.0150 -8.0150 -7.9357 -7.9357 -7.9357 -7.9357 -1.6209 -1.6209 -1.6209 -1.6209 4.4082 4.4082 4.4082 4.4082 5.4849 5.4849 5.4849 5.4849 5.6024 5.6024 5.6024 5.6024 6.0841 6.0841 6.0841 6.0841 6.2471 6.2471 6.2471 6.2471 6.5670 6.5670 6.5670 6.5670 7.3915 7.3915 7.3915 7.3915 7.7646 7.7646 7.7646 7.7646 10.0411 10.0411 10.0411 10.0411 11.1948 11.1948 11.1948 11.1948 13.0826 13.0826 k = 0.3256 0.1880 0.2528 ( 4756 PWs) bands (ev): -26.2272 -26.2272 -26.2272 -26.2272 -9.1041 -9.1041 -9.1041 -9.1041 -8.0181 -8.0181 -8.0181 -8.0181 -7.9367 -7.9367 -7.9367 -7.9367 -1.5997 -1.5997 -1.5997 -1.5997 4.3699 4.3699 4.3699 4.3699 5.5044 5.5044 5.5044 5.5044 5.6024 5.6024 5.6024 5.6024 6.0838 6.0838 6.0838 6.0838 6.2477 6.2477 6.2477 6.2477 6.5204 6.5204 6.5204 6.5204 7.4279 7.4279 7.4279 7.4279 7.7133 7.7133 7.7133 7.7133 9.9914 9.9914 9.9914 9.9914 11.1747 11.1747 11.1747 11.1747 13.1577 13.1577 k = 0.3372 0.1947 0.2528 ( 4752 PWs) bands (ev): -26.2269 -26.2269 -26.2269 -26.2269 -9.1060 -9.1060 -9.1060 -9.1060 -8.0212 -8.0212 -8.0212 -8.0212 -7.9375 -7.9375 -7.9375 -7.9375 -1.5791 -1.5791 -1.5791 -1.5791 4.3324 4.3324 4.3324 4.3324 5.5233 5.5233 5.5233 5.5233 5.6026 5.6026 5.6026 5.6026 6.0835 6.0835 6.0835 6.0835 6.2479 6.2479 6.2479 6.2479 6.4771 6.4771 6.4771 6.4771 7.4639 7.4639 7.4639 7.4639 7.6645 7.6645 7.6645 7.6645 9.9446 9.9446 9.9446 9.9446 11.1544 11.1544 11.1544 11.1544 13.2339 13.2339 k = 0.3488 0.2014 0.2528 ( 4744 PWs) bands (ev): -26.2265 -26.2265 -26.2265 -26.2265 -9.1078 -9.1078 -9.1078 -9.1078 -8.0242 -8.0242 -8.0242 -8.0242 -7.9382 -7.9382 -7.9382 -7.9382 -1.5591 -1.5591 -1.5591 -1.5591 4.2960 4.2960 4.2960 4.2960 5.5410 5.5410 5.5410 5.5410 5.6036 5.6036 5.6036 5.6036 6.0831 6.0831 6.0831 6.0831 6.2478 6.2478 6.2478 6.2478 6.4375 6.4375 6.4375 6.4375 7.4976 7.4976 7.4976 7.4976 7.6200 7.6200 7.6200 7.6200 9.9009 9.9009 9.9009 9.9009 11.1338 11.1338 11.1338 11.1338 13.3110 13.3110 k = 0.3605 0.2081 0.2528 ( 4748 PWs) bands (ev): -26.2262 -26.2262 -26.2262 -26.2262 -9.1095 -9.1095 -9.1095 -9.1095 -8.0272 -8.0272 -8.0272 -8.0272 -7.9387 -7.9387 -7.9387 -7.9387 -1.5400 -1.5400 -1.5400 -1.5400 4.2610 4.2610 4.2610 4.2610 5.5565 5.5565 5.5565 5.5565 5.6063 5.6063 5.6063 5.6063 6.0825 6.0825 6.0825 6.0825 6.2471 6.2471 6.2471 6.2471 6.4017 6.4017 6.4017 6.4017 7.5202 7.5202 7.5202 7.5202 7.5881 7.5881 7.5881 7.5881 9.8602 9.8602 9.8602 9.8602 11.1132 11.1132 11.1132 11.1132 13.3887 13.3887 k = 0.3721 0.2148 0.2528 ( 4740 PWs) bands (ev): -26.2259 -26.2259 -26.2259 -26.2259 -9.1111 -9.1111 -9.1111 -9.1111 -8.0300 -8.0300 -8.0300 -8.0300 -7.9392 -7.9392 -7.9392 -7.9392 -1.5218 -1.5218 -1.5218 -1.5218 4.2276 4.2276 4.2276 4.2276 5.5682 5.5682 5.5682 5.5682 5.6123 5.6123 5.6123 5.6123 6.0819 6.0819 6.0819 6.0819 6.2458 6.2458 6.2458 6.2458 6.3699 6.3699 6.3699 6.3699 7.5063 7.5063 7.5063 7.5063 7.5941 7.5941 7.5941 7.5941 9.8228 9.8228 9.8228 9.8228 11.0926 11.0926 11.0926 11.0926 13.4666 13.4666 k = 0.3837 0.2215 0.2528 ( 4742 PWs) bands (ev): -26.2256 -26.2256 -26.2256 -26.2256 -9.1127 -9.1127 -9.1127 -9.1127 -8.0327 -8.0327 -8.0327 -8.0327 -7.9395 -7.9395 -7.9395 -7.9395 -1.5048 -1.5048 -1.5048 -1.5048 4.1960 4.1960 4.1960 4.1960 5.5748 5.5748 5.5748 5.5748 5.6224 5.6224 5.6224 5.6224 6.0812 6.0812 6.0812 6.0812 6.2435 6.2435 6.2435 6.2435 6.3425 6.3425 6.3425 6.3425 7.4719 7.4719 7.4719 7.4719 7.6216 7.6216 7.6216 7.6216 9.7886 9.7886 9.7886 9.7886 11.0724 11.0724 11.0724 11.0724 13.5445 13.5445 k = 0.3953 0.2283 0.2528 ( 4740 PWs) bands (ev): -26.2254 -26.2254 -26.2254 -26.2254 -9.1141 -9.1141 -9.1141 -9.1141 -8.0352 -8.0352 -8.0352 -8.0352 -7.9398 -7.9398 -7.9398 -7.9398 -1.4889 -1.4889 -1.4889 -1.4889 4.1666 4.1666 4.1666 4.1666 5.5777 5.5777 5.5777 5.5777 5.6354 5.6354 5.6354 5.6354 6.0804 6.0804 6.0804 6.0804 6.2397 6.2397 6.2397 6.2397 6.3198 6.3198 6.3198 6.3198 7.4359 7.4359 7.4359 7.4359 7.6518 7.6518 7.6518 7.6518 9.7577 9.7577 9.7577 9.7577 11.0528 11.0528 11.0528 11.0528 13.6220 13.6220 k = 0.4070 0.2350 0.2528 ( 4744 PWs) bands (ev): -26.2251 -26.2251 -26.2251 -26.2251 -9.1154 -9.1154 -9.1154 -9.1154 -8.0375 -8.0375 -8.0375 -8.0375 -7.9400 -7.9400 -7.9400 -7.9400 -1.4743 -1.4743 -1.4743 -1.4743 4.1396 4.1396 4.1396 4.1396 5.5786 5.5786 5.5786 5.5786 5.6493 5.6493 5.6493 5.6493 6.0795 6.0795 6.0795 6.0795 6.2339 6.2339 6.2339 6.2339 6.3023 6.3023 6.3023 6.3023 7.4018 7.4018 7.4018 7.4018 7.6810 7.6810 7.6810 7.6810 9.7300 9.7300 9.7300 9.7300 11.0340 11.0340 11.0340 11.0340 13.6985 13.6985 k = 0.4186 0.2417 0.2528 ( 4744 PWs) bands (ev): -26.2249 -26.2249 -26.2249 -26.2249 -9.1166 -9.1166 -9.1166 -9.1166 -8.0396 -8.0396 -8.0396 -8.0396 -7.9401 -7.9401 -7.9401 -7.9401 -1.4612 -1.4612 -1.4612 -1.4612 4.1151 4.1151 4.1151 4.1151 5.5786 5.5786 5.5786 5.5786 5.6628 5.6628 5.6628 5.6628 6.0786 6.0786 6.0786 6.0786 6.2261 6.2261 6.2261 6.2261 6.2900 6.2900 6.2900 6.2900 7.3706 7.3706 7.3706 7.3706 7.7080 7.7080 7.7080 7.7080 9.7057 9.7057 9.7057 9.7057 11.0165 11.0165 11.0165 11.0165 13.7735 13.7735 k = 0.4302 0.2484 0.2528 ( 4752 PWs) bands (ev): -26.2247 -26.2247 -26.2247 -26.2247 -9.1176 -9.1176 -9.1176 -9.1176 -8.0414 -8.0414 -8.0414 -8.0414 -7.9402 -7.9402 -7.9402 -7.9402 -1.4496 -1.4496 -1.4496 -1.4496 4.0935 4.0935 4.0935 4.0935 5.5782 5.5782 5.5782 5.5782 5.6754 5.6754 5.6754 5.6754 6.0777 6.0777 6.0777 6.0777 6.2170 6.2170 6.2170 6.2170 6.2821 6.2821 6.2821 6.2821 7.3427 7.3427 7.3427 7.3427 7.7324 7.7324 7.7324 7.7324 9.6846 9.6846 9.6846 9.6846 11.0004 11.0004 11.0004 11.0004 13.8464 13.8464 k = 0.4419 0.2551 0.2528 ( 4742 PWs) bands (ev): -26.2246 -26.2246 -26.2246 -26.2246 -9.1185 -9.1185 -9.1185 -9.1185 -8.0430 -8.0430 -8.0430 -8.0430 -7.9403 -7.9403 -7.9403 -7.9403 -1.4397 -1.4397 -1.4397 -1.4397 4.0748 4.0748 4.0748 4.0748 5.5777 5.5777 5.5777 5.5777 5.6866 5.6866 5.6866 5.6866 6.0768 6.0768 6.0768 6.0768 6.2078 6.2078 6.2078 6.2078 6.2772 6.2772 6.2772 6.2772 7.3186 7.3186 7.3186 7.3186 7.7537 7.7537 7.7537 7.7537 9.6669 9.6669 9.6669 9.6669 10.9861 10.9861 10.9861 10.9861 13.9161 13.9161 k = 0.4535 0.2618 0.2528 ( 4746 PWs) bands (ev): -26.2244 -26.2244 -26.2244 -26.2244 -9.1192 -9.1192 -9.1192 -9.1192 -8.0443 -8.0443 -8.0443 -8.0443 -7.9403 -7.9403 -7.9403 -7.9403 -1.4314 -1.4314 -1.4314 -1.4314 4.0593 4.0593 4.0593 4.0593 5.5771 5.5771 5.5771 5.5771 5.6961 5.6961 5.6961 5.6961 6.0759 6.0759 6.0759 6.0759 6.1995 6.1995 6.1995 6.1995 6.2742 6.2742 6.2742 6.2742 7.2984 7.2984 7.2984 7.2984 7.7715 7.7715 7.7715 7.7715 9.6524 9.6524 9.6524 9.6524 10.9740 10.9740 10.9740 10.9740 13.9812 13.9812 k = 0.4651 0.2685 0.2528 ( 4756 PWs) bands (ev): -26.2243 -26.2243 -26.2243 -26.2243 -9.1198 -9.1198 -9.1198 -9.1198 -8.0453 -8.0453 -8.0453 -8.0453 -7.9404 -7.9404 -7.9404 -7.9404 -1.4249 -1.4249 -1.4249 -1.4249 4.0471 4.0471 4.0471 4.0471 5.5765 5.5765 5.5765 5.5765 5.7037 5.7037 5.7037 5.7037 6.0752 6.0752 6.0752 6.0752 6.1927 6.1927 6.1927 6.1927 6.2723 6.2723 6.2723 6.2723 7.2824 7.2824 7.2824 7.2824 7.7856 7.7856 7.7856 7.7856 9.6411 9.6411 9.6411 9.6411 10.9642 10.9642 10.9642 10.9642 14.0397 14.0397 k = 0.4767 0.2752 0.2528 ( 4758 PWs) bands (ev): -26.2243 -26.2243 -26.2243 -26.2243 -9.1202 -9.1202 -9.1202 -9.1202 -8.0460 -8.0460 -8.0460 -8.0460 -7.9404 -7.9404 -7.9404 -7.9404 -1.4202 -1.4202 -1.4202 -1.4202 4.0384 4.0384 4.0384 4.0384 5.5761 5.5761 5.5761 5.5761 5.7092 5.7092 5.7092 5.7092 6.0746 6.0746 6.0746 6.0746 6.1878 6.1878 6.1878 6.1878 6.2711 6.2711 6.2711 6.2711 7.2709 7.2709 7.2709 7.2709 7.7959 7.7959 7.7959 7.7959 9.6331 9.6331 9.6331 9.6331 10.9571 10.9571 10.9571 10.9571 14.0879 14.0879 k = 0.4884 0.2820 0.2528 ( 4756 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1205 -9.1205 -9.1205 -9.1205 -8.0465 -8.0465 -8.0465 -8.0465 -7.9404 -7.9404 -7.9404 -7.9404 -1.4174 -1.4174 -1.4174 -1.4174 4.0330 4.0330 4.0330 4.0330 5.5759 5.5759 5.5759 5.5759 5.7126 5.7126 5.7126 5.7126 6.0743 6.0743 6.0743 6.0743 6.1848 6.1848 6.1848 6.1848 6.2705 6.2705 6.2705 6.2705 7.2639 7.2639 7.2639 7.2639 7.8021 7.8021 7.8021 7.8021 9.6283 9.6283 9.6283 9.6283 10.9528 10.9528 10.9528 10.9528 14.1210 14.1210 k = 0.5000 0.2887 0.2528 ( 4756 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1206 -9.1206 -9.1206 -9.1206 -8.0466 -8.0466 -8.0466 -8.0466 -7.9404 -7.9404 -7.9404 -7.9404 -1.4164 -1.4164 -1.4164 -1.4164 4.0313 4.0313 4.0313 4.0313 5.5758 5.5758 5.5758 5.5758 5.7137 5.7137 5.7137 5.7137 6.0741 6.0741 6.0741 6.0741 6.1838 6.1838 6.1838 6.1838 6.2703 6.2703 6.2703 6.2703 7.2616 7.2616 7.2616 7.2616 7.8042 7.8042 7.8042 7.8042 9.6267 9.6267 9.6267 9.6267 10.9513 10.9513 10.9513 10.9513 14.1330 14.1330 k = 0.5000 0.2887 0.2528 ( 4756 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1206 -9.1206 -9.1206 -9.1206 -8.0466 -8.0466 -8.0466 -8.0466 -7.9404 -7.9404 -7.9404 -7.9404 -1.4164 -1.4164 -1.4164 -1.4164 4.0313 4.0313 4.0313 4.0313 5.5758 5.5758 5.5758 5.5758 5.7137 5.7137 5.7137 5.7137 6.0741 6.0741 6.0741 6.0741 6.1838 6.1838 6.1838 6.1838 6.2703 6.2703 6.2703 6.2703 7.2616 7.2616 7.2616 7.2616 7.8042 7.8042 7.8042 7.8042 9.6267 9.6267 9.6267 9.6267 10.9513 10.9513 10.9513 10.9513 14.1330 14.1330 k = 0.4933 0.3002 0.2528 ( 4752 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1207 -9.1207 -9.1204 -9.1204 -8.0468 -8.0468 -8.0463 -8.0463 -7.9406 -7.9406 -7.9405 -7.9405 -1.4166 -1.4166 -1.4157 -1.4157 4.0313 4.0313 4.0329 4.0329 5.5725 5.5725 5.5779 5.5779 5.7134 5.7134 5.7150 5.7150 6.0691 6.0691 6.0790 6.0790 6.1805 6.1805 6.1862 6.1862 6.2702 6.2702 6.2703 6.2703 7.2542 7.2542 7.2589 7.2589 7.8034 7.8034 7.8058 7.8058 9.6272 9.6272 9.6293 9.6293 10.9578 10.9578 10.9602 10.9602 14.1088 14.1094 k = 0.4867 0.3118 0.2528 ( 4760 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1209 -9.1209 -9.1203 -9.1203 -8.0469 -8.0469 -8.0459 -8.0459 -7.9410 -7.9410 -7.9409 -7.9409 -1.4161 -1.4161 -1.4145 -1.4145 4.0329 4.0329 4.0362 4.0362 5.5679 5.5679 5.5786 5.5786 5.7139 5.7139 5.7171 5.7171 6.0639 6.0639 6.0835 6.0835 6.1764 6.1764 6.1878 6.1878 6.2700 6.2700 6.2701 6.2701 7.2367 7.2367 7.2463 7.2463 7.8034 7.8034 7.8081 7.8081 9.6307 9.6307 9.6349 9.6349 10.9796 10.9796 10.9844 10.9844 14.0575 14.0585 k = 0.4800 0.3233 0.2528 ( 4752 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1211 -9.1211 -9.1202 -9.1202 -8.0468 -8.0468 -8.0454 -8.0454 -7.9418 -7.9418 -7.9415 -7.9415 -1.4151 -1.4151 -1.4126 -1.4126 4.0362 4.0362 4.0412 4.0412 5.5625 5.5625 5.5779 5.5779 5.7155 5.7155 5.7199 5.7199 6.0585 6.0585 6.0880 6.0880 6.1713 6.1713 6.1888 6.1888 6.2696 6.2696 6.2700 6.2700 7.2098 7.2098 7.2245 7.2245 7.8042 7.8042 7.8112 7.8112 9.6370 9.6370 9.6433 9.6433 11.0163 11.0163 11.0235 11.0235 13.9959 13.9959 k = 0.4733 0.3349 0.2528 ( 4744 PWs) bands (ev): -26.2241 -26.2241 -26.2241 -26.2241 -9.1213 -9.1213 -9.1201 -9.1201 -8.0466 -8.0466 -8.0447 -8.0447 -7.9428 -7.9428 -7.9424 -7.9424 -1.4136 -1.4136 -1.4103 -1.4103 4.0411 4.0411 4.0478 4.0478 5.5562 5.5562 5.5759 5.5759 5.7178 5.7178 5.7232 5.7232 6.0529 6.0529 6.0922 6.0922 6.1653 6.1653 6.1890 6.1890 6.2689 6.2689 6.2698 6.2698 7.1743 7.1743 7.1945 7.1945 7.8058 7.8058 7.8150 7.8150 9.6456 9.6456 9.6541 9.6541 11.0673 11.0673 11.0769 11.0769 13.9312 13.9313 k = 0.4667 0.3464 0.2528 ( 4740 PWs) bands (ev): -26.2241 -26.2241 -26.2241 -26.2241 -9.1216 -9.1216 -9.1200 -9.1200 -8.0463 -8.0463 -8.0440 -8.0440 -7.9440 -7.9440 -7.9436 -7.9436 -1.4115 -1.4115 -1.4074 -1.4074 4.0474 4.0474 4.0559 4.0559 5.5494 5.5494 5.5728 5.5728 5.7208 5.7208 5.7267 5.7267 6.0470 6.0470 6.0962 6.0962 6.1583 6.1583 6.1887 6.1887 6.2679 6.2679 6.2696 6.2696 7.1313 7.1313 7.1576 7.1576 7.8082 7.8082 7.8194 7.8194 9.6562 9.6562 9.6669 9.6669 11.1317 11.1317 11.1437 11.1437 13.8666 13.8666 k = 0.4600 0.3580 0.2528 ( 4740 PWs) bands (ev): -26.2240 -26.2240 -26.2240 -26.2240 -9.1219 -9.1219 -9.1200 -9.1200 -8.0459 -8.0459 -8.0431 -8.0431 -7.9455 -7.9455 -7.9451 -7.9451 -1.4090 -1.4090 -1.4041 -1.4041 4.0550 4.0550 4.0655 4.0655 5.5423 5.5423 5.5687 5.5687 5.7241 5.7241 5.7302 5.7302 6.0407 6.0407 6.1000 6.1000 6.1502 6.1502 6.1878 6.1878 6.2665 6.2665 6.2693 6.2693 7.0822 7.0822 7.1151 7.1151 7.8113 7.8113 7.8245 7.8245 9.6682 9.6682 9.6811 9.6811 11.2084 11.2084 11.2228 11.2228 13.8036 13.8036 k = 0.4533 0.3695 0.2528 ( 4742 PWs) bands (ev): -26.2240 -26.2240 -26.2240 -26.2240 -9.1221 -9.1221 -9.1200 -9.1200 -8.0454 -8.0454 -8.0421 -8.0421 -7.9471 -7.9471 -7.9467 -7.9467 -1.4059 -1.4059 -1.4003 -1.4003 4.0640 4.0640 4.0765 4.0765 5.5350 5.5350 5.5638 5.5638 5.7276 5.7276 5.7337 5.7337 6.0340 6.0340 6.1036 6.1036 6.1413 6.1413 6.1863 6.1863 6.2647 6.2647 6.2691 6.2691 7.0283 7.0283 7.0684 7.0684 7.8152 7.8152 7.8302 7.8302 9.6812 9.6812 9.6964 9.6964 11.2964 11.2964 11.3132 11.3132 13.7431 13.7431 k = 0.4467 0.3811 0.2528 ( 4762 PWs) bands (ev): -26.2239 -26.2239 -26.2239 -26.2239 -9.1224 -9.1224 -9.1200 -9.1200 -8.0448 -8.0448 -8.0410 -8.0410 -7.9490 -7.9490 -7.9486 -7.9486 -1.4025 -1.4025 -1.3961 -1.3961 4.0740 4.0740 4.0887 4.0887 5.5277 5.5277 5.5584 5.5584 5.7309 5.7309 5.7368 5.7368 6.0266 6.0266 6.1068 6.1068 6.1316 6.1316 6.1842 6.1842 6.2623 6.2623 6.2689 6.2689 6.9710 6.9710 7.0191 7.0191 7.8197 7.8197 7.8364 7.8364 9.6949 9.6949 9.7124 9.7124 11.3941 11.3941 11.4135 11.4135 13.6859 13.6859 k = 0.4400 0.3926 0.2528 ( 4770 PWs) bands (ev): -26.2238 -26.2238 -26.2238 -26.2238 -9.1227 -9.1227 -9.1200 -9.1200 -8.0441 -8.0441 -8.0398 -8.0398 -7.9510 -7.9510 -7.9507 -7.9507 -1.3986 -1.3986 -1.3915 -1.3915 4.0851 4.0851 4.1020 4.1020 5.5206 5.5206 5.5525 5.5525 5.7338 5.7338 5.7395 5.7395 6.0186 6.0186 6.1099 6.1099 6.1213 6.1213 6.1817 6.1817 6.2595 6.2595 6.2686 6.2686 6.9118 6.9118 6.9685 6.9685 7.8249 7.8249 7.8430 7.8430 9.7091 9.7091 9.7288 9.7288 11.5003 11.5003 11.5224 11.5224 13.6326 13.6326 k = 0.4333 0.4041 0.2528 ( 4766 PWs) bands (ev): -26.2238 -26.2238 -26.2238 -26.2238 -9.1230 -9.1230 -9.1201 -9.1201 -8.0434 -8.0434 -8.0386 -8.0386 -7.9532 -7.9532 -7.9529 -7.9529 -1.3945 -1.3945 -1.3867 -1.3867 4.0969 4.0969 4.1163 4.1163 5.5140 5.5140 5.5463 5.5463 5.7361 5.7361 5.7416 5.7416 6.0095 6.0095 6.1110 6.1110 6.1127 6.1127 6.1789 6.1789 6.2562 6.2562 6.2685 6.2685 6.8519 6.8519 6.9179 6.9179 7.8306 7.8306 7.8501 7.8501 9.7233 9.7233 9.7453 9.7453 11.6136 11.6136 11.6385 11.6385 13.5836 13.5836 k = 0.4267 0.4157 0.2528 ( 4754 PWs) bands (ev): -26.2237 -26.2237 -26.2237 -26.2237 -9.1234 -9.1234 -9.1202 -9.1202 -8.0426 -8.0426 -8.0372 -8.0372 -7.9555 -7.9555 -7.9553 -7.9553 -1.3900 -1.3900 -1.3816 -1.3816 4.1094 4.1094 4.1313 4.1313 5.5078 5.5078 5.5401 5.5401 5.7374 5.7374 5.7429 5.7429 5.9992 5.9992 6.1009 6.1009 6.1151 6.1151 6.1757 6.1757 6.2523 6.2523 6.2684 6.2684 6.7925 6.7925 6.8684 6.8684 7.8367 7.8367 7.8575 7.8575 9.7375 9.7375 9.7617 9.7617 11.7322 11.7322 11.7602 11.7602 13.5394 13.5395 k = 0.4200 0.4272 0.2528 ( 4762 PWs) bands (ev): -26.2236 -26.2236 -26.2236 -26.2236 -9.1237 -9.1237 -9.1203 -9.1203 -8.0417 -8.0417 -8.0358 -8.0358 -7.9578 -7.9578 -7.9578 -7.9578 -1.3853 -1.3853 -1.3763 -1.3763 4.1222 4.1222 4.1469 4.1469 5.5024 5.5024 5.5339 5.5339 5.7372 5.7372 5.7429 5.7429 5.9876 5.9876 6.0916 6.0916 6.1169 6.1169 6.1724 6.1724 6.2479 6.2479 6.2682 6.2682 6.7349 6.7349 6.8209 6.8209 7.8432 7.8432 7.8652 7.8652 9.7513 9.7513 9.7777 9.7777 11.8548 11.8548 11.8862 11.8862 13.5005 13.5005 k = 0.4133 0.4388 0.2528 ( 4770 PWs) bands (ev): -26.2235 -26.2235 -26.2235 -26.2235 -9.1240 -9.1240 -9.1204 -9.1204 -8.0409 -8.0409 -8.0344 -8.0344 -7.9604 -7.9604 -7.9602 -7.9602 -1.3805 -1.3805 -1.3709 -1.3709 4.1351 4.1351 4.1627 4.1627 5.4978 5.4978 5.5279 5.5279 5.7352 5.7352 5.7415 5.7415 5.9747 5.9747 6.0834 6.0834 6.1179 6.1179 6.1693 6.1693 6.2429 6.2429 6.2682 6.2682 6.6800 6.6800 6.7761 6.7761 7.8499 7.8499 7.8730 7.8730 9.7647 9.7647 9.7931 9.7931 11.9797 11.9797 12.0147 12.0147 13.4672 13.4672 k = 0.4067 0.4503 0.2528 ( 4766 PWs) bands (ev): -26.2234 -26.2234 -26.2234 -26.2234 -9.1244 -9.1244 -9.1205 -9.1205 -8.0400 -8.0400 -8.0329 -8.0329 -7.9630 -7.9630 -7.9625 -7.9625 -1.3756 -1.3756 -1.3654 -1.3654 4.1480 4.1480 4.1786 4.1786 5.4944 5.4944 5.5223 5.5223 5.7311 5.7311 5.7386 5.7386 5.9612 5.9612 6.0765 6.0765 6.1180 6.1180 6.1665 6.1665 6.2374 6.2374 6.2681 6.2681 6.6287 6.6287 6.7347 6.7347 7.8568 7.8568 7.8808 7.8808 9.7774 9.7774 9.8079 9.8079 12.1050 12.1050 12.1441 12.1441 13.4400 13.4400 k = 0.4000 0.4619 0.2528 ( 4762 PWs) bands (ev): -26.2233 -26.2233 -26.2233 -26.2233 -9.1247 -9.1247 -9.1207 -9.1207 -8.0391 -8.0391 -8.0315 -8.0315 -7.9656 -7.9656 -7.9649 -7.9649 -1.3707 -1.3707 -1.3600 -1.3600 4.1605 4.1605 4.1943 4.1943 5.4922 5.4922 5.5172 5.5172 5.7244 5.7244 5.7336 5.7336 5.9477 5.9477 6.0710 6.0710 6.1168 6.1168 6.1644 6.1644 6.2316 6.2316 6.2682 6.2682 6.5819 6.5819 6.6969 6.6969 7.8638 7.8638 7.8886 7.8886 9.7892 9.7892 9.8216 9.8216 12.2289 12.2289 12.2725 12.2725 13.4190 13.4191 k = 0.3933 0.4734 0.2528 ( 4762 PWs) bands (ev): -26.2233 -26.2233 -26.2233 -26.2233 -9.1250 -9.1250 -9.1208 -9.1208 -8.0382 -8.0382 -8.0300 -8.0300 -7.9681 -7.9681 -7.9671 -7.9671 -1.3658 -1.3658 -1.3547 -1.3547 4.1725 4.1725 4.2094 4.2094 5.4915 5.4915 5.5128 5.5128 5.7149 5.7149 5.7266 5.7266 5.9351 5.9351 6.0666 6.0666 6.1145 6.1145 6.1632 6.1632 6.2256 6.2256 6.2683 6.2683 6.5400 6.5400 6.6629 6.6629 7.8707 7.8707 7.8963 7.8963 9.8001 9.8001 9.8343 9.8343 12.3494 12.3494 12.3980 12.3980 13.4047 13.4047 k = 0.3867 0.4850 0.2528 ( 4758 PWs) bands (ev): -26.2232 -26.2232 -26.2232 -26.2232 -9.1253 -9.1253 -9.1210 -9.1210 -8.0374 -8.0374 -8.0286 -8.0286 -7.9706 -7.9706 -7.9692 -7.9692 -1.3611 -1.3611 -1.3496 -1.3496 4.1835 4.1835 4.2236 4.2236 5.4925 5.4925 5.5093 5.5093 5.7026 5.7026 5.7172 5.7172 5.9241 5.9241 6.0633 6.0633 6.1113 6.1113 6.1627 6.1627 6.2195 6.2195 6.2685 6.2685 6.5034 6.5034 6.6328 6.6328 7.8775 7.8775 7.9036 7.9036 9.8098 9.8098 9.8457 9.8457 12.4644 12.4644 12.5185 12.5185 13.3970 13.3970 k = 0.3800 0.4965 0.2528 ( 4754 PWs) bands (ev): -26.2231 -26.2231 -26.2231 -26.2231 -9.1256 -9.1256 -9.1211 -9.1211 -8.0367 -8.0367 -8.0272 -8.0272 -7.9730 -7.9730 -7.9712 -7.9712 -1.3566 -1.3566 -1.3447 -1.3447 4.1936 4.1936 4.2367 4.2367 5.4952 5.4952 5.5068 5.5068 5.6879 5.6879 5.7056 5.7056 5.9150 5.9150 6.0609 6.0609 6.1077 6.1077 6.1628 6.1628 6.2135 6.2135 6.2688 6.2688 6.4720 6.4720 6.6066 6.6066 7.8839 7.8839 7.9106 7.9106 9.8184 9.8184 9.8557 9.8557 12.5717 12.5717 12.6317 12.6317 13.3960 13.3960 k = 0.3733 0.5081 0.2528 ( 4746 PWs) bands (ev): -26.2230 -26.2230 -26.2230 -26.2230 -9.1259 -9.1259 -9.1213 -9.1213 -8.0360 -8.0360 -8.0259 -8.0259 -7.9751 -7.9751 -7.9730 -7.9730 -1.3525 -1.3525 -1.3402 -1.3402 4.2023 4.2023 4.2484 4.2484 5.4998 5.4998 5.5057 5.5057 5.6715 5.6715 5.6918 5.6918 5.9079 5.9079 6.0592 6.0592 6.1042 6.1042 6.1631 6.1631 6.2080 6.2080 6.2691 6.2691 6.4458 6.4458 6.5842 6.5842 7.8900 7.8900 7.9171 7.9171 9.8256 9.8256 9.8643 9.8643 12.6695 12.6695 12.7358 12.7358 13.4011 13.4011 k = 0.3667 0.5196 0.2528 ( 4754 PWs) bands (ev): -26.2230 -26.2230 -26.2230 -26.2230 -9.1262 -9.1262 -9.1214 -9.1214 -8.0355 -8.0355 -8.0248 -8.0248 -7.9771 -7.9771 -7.9745 -7.9745 -1.3487 -1.3487 -1.3362 -1.3362 4.2097 4.2097 4.2584 4.2584 5.5060 5.5060 5.5063 5.5063 5.6543 5.6543 5.6764 5.6764 5.9025 5.9025 6.0580 6.0580 6.1012 6.1012 6.1631 6.1631 6.2033 6.2033 6.2694 6.2694 6.4243 6.4243 6.5653 6.5653 7.8955 7.8955 7.9230 7.9230 9.8314 9.8314 9.8713 9.8713 12.7560 12.7560 12.8288 12.8288 13.4115 13.4115 k = 0.3600 0.5312 0.2528 ( 4756 PWs) bands (ev): -26.2229 -26.2229 -26.2229 -26.2229 -9.1264 -9.1264 -9.1216 -9.1216 -8.0350 -8.0350 -8.0239 -8.0239 -7.9787 -7.9787 -7.9758 -7.9758 -1.3455 -1.3455 -1.3327 -1.3327 4.2156 4.2156 4.2665 4.2665 5.5077 5.5077 5.5147 5.5147 5.6374 5.6374 5.6597 5.6597 5.8987 5.8987 6.0572 6.0572 6.0991 6.0991 6.1626 6.1626 6.1995 6.1995 6.2697 6.2697 6.4073 6.4073 6.5499 6.5499 7.9003 7.9003 7.9281 7.9281 9.8360 9.8360 9.8768 9.8768 12.8302 12.8302 12.9098 12.9098 13.4254 13.4254 k = 0.3533 0.5427 0.2528 ( 4748 PWs) bands (ev): -26.2229 -26.2229 -26.2229 -26.2229 -9.1266 -9.1266 -9.1217 -9.1217 -8.0347 -8.0347 -8.0231 -8.0231 -7.9800 -7.9800 -7.9768 -7.9768 -1.3428 -1.3428 -1.3299 -1.3299 4.2200 4.2200 4.2728 4.2728 5.5108 5.5108 5.5247 5.5247 5.6217 5.6217 5.6428 5.6428 5.8960 5.8960 6.0567 6.0567 6.0978 6.0978 6.1617 6.1617 6.1968 6.1968 6.2701 6.2701 6.3944 6.3944 6.5380 6.5380 7.9043 7.9043 7.9323 7.9323 9.8393 9.8393 9.8808 9.8808 12.8909 12.8909 12.9775 12.9775 13.4404 13.4404 k = 0.3467 0.5543 0.2528 ( 4744 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1267 -9.1267 -9.1218 -9.1218 -8.0345 -8.0345 -8.0225 -8.0225 -7.9810 -7.9810 -7.9775 -7.9775 -1.3408 -1.3408 -1.3278 -1.3278 4.2229 4.2229 4.2770 4.2770 5.5147 5.5147 5.5356 5.5356 5.6085 5.6085 5.6266 5.6266 5.8943 5.8943 6.0564 6.0564 6.0972 6.0972 6.1606 6.1606 6.1952 6.1952 6.2704 6.2704 6.3854 6.3854 6.5294 6.5294 7.9073 7.9073 7.9355 7.9355 9.8414 9.8414 9.8835 9.8835 12.9369 12.9369 13.0307 13.0307 13.4522 13.4522 k = 0.3400 0.5658 0.2528 ( 4746 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1268 -9.1268 -9.1219 -9.1219 -8.0344 -8.0344 -8.0222 -8.0222 -7.9816 -7.9816 -7.9779 -7.9779 -1.3395 -1.3395 -1.3264 -1.3264 4.2245 4.2245 4.2795 4.2795 5.5183 5.5183 5.5454 5.5454 5.5992 5.5992 5.6136 5.6136 5.8932 5.8932 6.0563 6.0563 6.0970 6.0970 6.1596 6.1596 6.1943 6.1943 6.2706 6.2706 6.3800 6.3800 6.5243 6.5243 7.9093 7.9093 7.9375 7.9375 9.8425 9.8425 9.8849 9.8849 12.9663 12.9663 13.0662 13.0662 13.4563 13.4563 k = 0.3333 0.5774 0.2528 ( 4746 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1268 -9.1268 -9.1219 -9.1219 -8.0343 -8.0343 -8.0221 -8.0221 -7.9818 -7.9818 -7.9781 -7.9781 -1.3391 -1.3391 -1.3260 -1.3260 4.2250 4.2250 4.2802 4.2802 5.5198 5.5198 5.5499 5.5499 5.5957 5.5957 5.6080 5.6080 5.8929 5.8929 6.0562 6.0562 6.0971 6.0971 6.1592 6.1592 6.1941 6.1941 6.2706 6.2706 6.3782 6.3782 6.5225 6.5225 7.9099 7.9099 7.9382 7.9382 9.8428 9.8428 9.8853 9.8853 12.9766 12.9766 13.0792 13.0792 13.4550 13.4550 k = 0.3333 0.5774 0.2528 ( 4746 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1268 -9.1268 -9.1219 -9.1219 -8.0343 -8.0343 -8.0221 -8.0221 -7.9818 -7.9818 -7.9781 -7.9781 -1.3391 -1.3391 -1.3260 -1.3260 4.2250 4.2250 4.2802 4.2802 5.5198 5.5198 5.5499 5.5499 5.5957 5.5957 5.6080 5.6080 5.8929 5.8929 6.0562 6.0562 6.0971 6.0971 6.1592 6.1592 6.1941 6.1941 6.2706 6.2706 6.3782 6.3782 6.5225 6.5225 7.9099 7.9099 7.9382 7.9382 9.8428 9.8428 9.8853 9.8853 12.9766 12.9766 13.0792 13.0792 13.4550 13.4550 k = 0.3267 0.5658 0.2528 ( 4750 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1268 -9.1268 -9.1219 -9.1219 -8.0343 -8.0343 -8.0222 -8.0222 -7.9816 -7.9816 -7.9779 -7.9779 -1.3395 -1.3395 -1.3265 -1.3265 4.2246 4.2246 4.2796 4.2796 5.5181 5.5181 5.5453 5.5453 5.5993 5.5993 5.6136 5.6136 5.8933 5.8933 6.0563 6.0563 6.0970 6.0970 6.1596 6.1596 6.1943 6.1943 6.2706 6.2706 6.3800 6.3800 6.5243 6.5243 7.9092 7.9092 7.9374 7.9374 9.8426 9.8426 9.8850 9.8850 12.9662 12.9662 13.0658 13.0658 13.4605 13.4605 k = 0.3200 0.5543 0.2528 ( 4742 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1267 -9.1267 -9.1218 -9.1218 -8.0344 -8.0344 -8.0224 -8.0224 -7.9811 -7.9811 -7.9775 -7.9775 -1.3410 -1.3410 -1.3280 -1.3280 4.2236 4.2236 4.2779 4.2779 5.5136 5.5136 5.5348 5.5348 5.6089 5.6089 5.6270 5.6270 5.8944 5.8944 6.0564 6.0564 6.0970 6.0970 6.1607 6.1607 6.1953 6.1953 6.2704 6.2704 6.3855 6.3855 6.5296 6.5296 7.9070 7.9070 7.9351 7.9351 9.8421 9.8421 9.8842 9.8842 12.9366 12.9366 13.0287 13.0287 13.4797 13.4798 k = 0.3133 0.5427 0.2528 ( 4742 PWs) bands (ev): -26.2229 -26.2229 -26.2229 -26.2229 -9.1265 -9.1265 -9.1216 -9.1216 -8.0344 -8.0344 -8.0228 -8.0228 -7.9803 -7.9803 -7.9769 -7.9769 -1.3434 -1.3434 -1.3305 -1.3305 4.2224 4.2224 4.2755 4.2755 5.5077 5.5077 5.5227 5.5227 5.6227 5.6227 5.6435 5.6435 5.8965 5.8965 6.0567 6.0567 6.0972 6.0972 6.1621 6.1621 6.1971 6.1971 6.2700 6.2700 6.3948 6.3948 6.5384 6.5384 7.9030 7.9030 7.9311 7.9311 9.8417 9.8417 9.8833 9.8833 12.8919 12.8919 12.9751 12.9751 13.5004 13.5004 k = 0.3067 0.5312 0.2528 ( 4752 PWs) bands (ev): -26.2229 -26.2229 -26.2229 -26.2229 -9.1262 -9.1262 -9.1214 -9.1214 -8.0345 -8.0345 -8.0231 -8.0231 -7.9792 -7.9792 -7.9762 -7.9762 -1.3470 -1.3470 -1.3343 -1.3343 4.2212 4.2212 4.2728 4.2728 5.5015 5.5015 5.5107 5.5107 5.6388 5.6388 5.6607 5.6607 5.8998 5.8998 6.0573 6.0573 6.0979 6.0979 6.1635 6.1635 6.1999 6.1999 6.2696 6.2696 6.4081 6.4081 6.5508 6.5508 7.8973 7.8973 7.9252 7.9252 9.8417 9.8417 9.8826 9.8826 12.8369 12.8369 12.9119 12.9119 13.5284 13.5284 k = 0.3000 0.5196 0.2528 ( 4752 PWs) bands (ev): -26.2230 -26.2230 -26.2230 -26.2230 -9.1259 -9.1259 -9.1212 -9.1212 -8.0344 -8.0344 -8.0235 -8.0235 -7.9780 -7.9780 -7.9752 -7.9752 -1.3517 -1.3517 -1.3391 -1.3391 4.2204 4.2204 4.2702 4.2702 5.4955 5.4955 5.4995 5.4995 5.6556 5.6556 5.6772 5.6772 5.9048 5.9048 6.0583 6.0583 6.0996 6.0996 6.1647 6.1647 6.2039 6.2039 6.2691 6.2691 6.4256 6.4256 6.5668 6.5668 7.8897 7.8897 7.9174 7.9174 9.8425 9.8425 9.8825 9.8825 12.7753 12.7753 12.8434 12.8434 13.5599 13.5599 k = 0.2933 0.5081 0.2528 ( 4752 PWs) bands (ev): -26.2231 -26.2231 -26.2231 -26.2231 -9.1254 -9.1254 -9.1208 -9.1208 -8.0343 -8.0343 -8.0238 -8.0238 -7.9766 -7.9766 -7.9741 -7.9741 -1.3575 -1.3575 -1.3453 -1.3453 4.2204 4.2204 4.2682 4.2682 5.4894 5.4894 5.4900 5.4900 5.6717 5.6717 5.6921 5.6921 5.9120 5.9120 6.0599 6.0599 6.1025 6.1025 6.1662 6.1662 6.2087 6.2087 6.2686 6.2686 6.4473 6.4473 6.5865 6.5865 7.8800 7.8800 7.9075 7.9075 9.8444 9.8444 9.8834 9.8834 12.7098 12.7098 12.7723 12.7723 13.5777 13.5777 k = 0.2867 0.4965 0.2528 ( 4738 PWs) bands (ev): -26.2232 -26.2232 -26.2232 -26.2232 -9.1249 -9.1249 -9.1203 -9.1203 -8.0340 -8.0340 -8.0240 -8.0240 -7.9751 -7.9751 -7.9729 -7.9729 -1.3646 -1.3646 -1.3526 -1.3526 4.2213 4.2213 4.2671 4.2671 5.4804 5.4804 5.4850 5.4850 5.6860 5.6860 5.7046 5.7046 5.9218 5.9218 6.0626 6.0626 6.1063 6.1063 6.1688 6.1688 6.2140 6.2140 6.2682 6.2682 6.4735 6.4735 6.6099 6.6099 7.8684 7.8684 7.8956 7.8956 9.8478 9.8478 9.8857 9.8857 12.6424 12.6424 12.7001 12.7001 13.5536 13.5536 k = 0.2800 0.4850 0.2528 ( 4742 PWs) bands (ev): -26.2234 -26.2234 -26.2234 -26.2234 -9.1242 -9.1242 -9.1198 -9.1198 -8.0336 -8.0336 -8.0241 -8.0241 -7.9735 -7.9735 -7.9715 -7.9715 -1.3729 -1.3729 -1.3612 -1.3612 4.2236 4.2236 4.2672 4.2672 5.4726 5.4726 5.4805 5.4805 5.6976 5.6976 5.7142 5.7142 5.9341 5.9341 6.0668 6.0668 6.1103 6.1103 6.1735 6.1735 6.2195 6.2195 6.2678 6.2678 6.5040 6.5040 6.6369 6.6369 7.8546 7.8546 7.8815 7.8815 9.8530 9.8530 9.8896 9.8896 12.5740 12.5740 12.6278 12.6278 13.5083 13.5083 k = 0.2733 0.4734 0.2528 ( 4738 PWs) bands (ev): -26.2235 -26.2235 -26.2235 -26.2235 -9.1235 -9.1235 -9.1192 -9.1192 -8.0331 -8.0331 -8.0240 -8.0240 -7.9718 -7.9718 -7.9701 -7.9701 -1.3824 -1.3824 -1.3710 -1.3710 4.2274 4.2274 4.2689 4.2689 5.4659 5.4659 5.4765 5.4765 5.7060 5.7060 5.7206 5.7206 5.9484 5.9484 6.0733 6.0733 6.1136 6.1136 6.1817 6.1817 6.2252 6.2252 6.2675 6.2675 6.5389 6.5389 6.6675 6.6675 7.8388 7.8388 7.8653 7.8653 9.8604 9.8604 9.8957 9.8957 12.5055 12.5055 12.5560 12.5560 13.4490 13.4490 k = 0.2667 0.4619 0.2528 ( 4752 PWs) bands (ev): -26.2237 -26.2237 -26.2237 -26.2237 -9.1226 -9.1226 -9.1185 -9.1185 -8.0323 -8.0323 -8.0238 -8.0238 -7.9701 -7.9701 -7.9687 -7.9687 -1.3931 -1.3931 -1.3822 -1.3822 4.2328 4.2328 4.2722 4.2722 5.4602 5.4602 5.4728 5.4728 5.7111 5.7111 5.7238 5.7238 5.9636 5.9636 6.0831 6.0831 6.1154 6.1154 6.1939 6.1939 6.2311 6.2311 6.2674 6.2674 6.5779 6.5779 6.7015 6.7015 7.8209 7.8209 7.8471 7.8471 9.8702 9.8702 9.9040 9.9040 12.4376 12.4376 12.4850 12.4850 13.3809 13.3809 k = 0.2600 0.4503 0.2528 ( 4758 PWs) bands (ev): -26.2239 -26.2239 -26.2239 -26.2239 -9.1217 -9.1217 -9.1176 -9.1176 -8.0314 -8.0314 -8.0234 -8.0234 -7.9683 -7.9683 -7.9671 -7.9671 -1.4050 -1.4050 -1.3945 -1.3945 4.2402 4.2402 4.2774 4.2774 5.4554 5.4554 5.4693 5.4693 5.7132 5.7132 5.7241 5.7241 5.9781 5.9781 6.0974 6.0974 6.1157 6.1157 6.2091 6.2091 6.2380 6.2380 6.2674 6.2674 6.6208 6.6208 6.7390 6.7390 7.8012 7.8012 7.8268 7.8268 9.8827 9.8827 9.9150 9.9150 12.3705 12.3705 12.4153 12.4153 13.3062 13.3062 k = 0.2533 0.4388 0.2528 ( 4766 PWs) bands (ev): -26.2241 -26.2241 -26.2241 -26.2241 -9.1206 -9.1206 -9.1167 -9.1167 -8.0304 -8.0304 -8.0228 -8.0228 -7.9665 -7.9665 -7.9656 -7.9656 -1.4181 -1.4181 -1.4080 -1.4080 4.2495 4.2495 4.2847 4.2847 5.4514 5.4514 5.4658 5.4658 5.7129 5.7129 5.7219 5.7219 5.9907 5.9907 6.1149 6.1149 6.1169 6.1169 6.2240 6.2240 6.2489 6.2489 6.2678 6.2678 6.6673 6.6673 6.7797 6.7797 7.7797 7.7797 7.8048 7.8048 9.8982 9.8982 9.9290 9.9290 12.3045 12.3045 12.3470 12.3470 13.2268 13.2268 k = 0.2467 0.4272 0.2528 ( 4756 PWs) bands (ev): -26.2243 -26.2243 -26.2243 -26.2243 -9.1194 -9.1194 -9.1157 -9.1157 -8.0291 -8.0291 -8.0220 -8.0220 -7.9646 -7.9646 -7.9639 -7.9639 -1.4324 -1.4324 -1.4227 -1.4227 4.2609 4.2609 4.2941 4.2941 5.4479 5.4479 5.4622 5.4622 5.7107 5.7107 5.7175 5.7175 6.0008 6.0008 6.1133 6.1133 6.1415 6.1415 6.2336 6.2336 6.2683 6.2683 6.2687 6.2687 6.7171 6.7171 6.8234 6.8234 7.7567 7.7567 7.7812 7.7812 9.9167 9.9167 9.9460 9.9460 12.2400 12.2400 12.2803 12.2803 13.1443 13.1443 k = 0.2400 0.4157 0.2528 ( 4752 PWs) bands (ev): -26.2246 -26.2246 -26.2246 -26.2246 -9.1181 -9.1181 -9.1146 -9.1146 -8.0277 -8.0277 -8.0210 -8.0210 -7.9628 -7.9628 -7.9623 -7.9623 -1.4477 -1.4477 -1.4385 -1.4385 4.2743 4.2743 4.3056 4.3056 5.4449 5.4449 5.4584 5.4584 5.7070 5.7070 5.7114 5.7114 6.0087 6.0087 6.1113 6.1113 6.1698 6.1698 6.2392 6.2392 6.2708 6.2708 6.2942 6.2942 6.7695 6.7695 6.8697 6.8697 7.7325 7.7325 7.7563 7.7563 9.9386 9.9386 9.9662 9.9662 12.1771 12.1771 12.2154 12.2154 13.0598 13.0598 k = 0.2333 0.4041 0.2528 ( 4752 PWs) bands (ev): -26.2248 -26.2248 -26.2248 -26.2248 -9.1167 -9.1167 -9.1133 -9.1133 -8.0261 -8.0261 -8.0199 -8.0199 -7.9609 -7.9609 -7.9606 -7.9606 -1.4641 -1.4641 -1.4554 -1.4554 4.2899 4.2899 4.3194 4.3194 5.4421 5.4421 5.4541 5.4541 5.7022 5.7022 5.7040 5.7040 6.0151 6.0151 6.1090 6.1090 6.1994 6.1994 6.2430 6.2430 6.2755 6.2755 6.3242 6.3242 6.8240 6.8240 6.9181 6.9181 7.7076 7.7076 7.7306 7.7306 9.9638 9.9638 9.9899 9.9899 12.1160 12.1160 12.1524 12.1524 12.9742 12.9742 k = 0.2267 0.3926 0.2528 ( 4748 PWs) bands (ev): -26.2251 -26.2251 -26.2251 -26.2251 -9.1152 -9.1152 -9.1120 -9.1120 -8.0243 -8.0243 -8.0186 -8.0186 -7.9590 -7.9590 -7.9588 -7.9588 -1.4815 -1.4815 -1.4732 -1.4732 4.3075 4.3075 4.3353 4.3353 5.4394 5.4394 5.4494 5.4494 5.6957 5.6957 5.6967 5.6967 6.0205 6.0205 6.1067 6.1067 6.2252 6.2252 6.2460 6.2460 6.2874 6.2874 6.3573 6.3573 6.8799 6.8799 6.9681 6.9681 7.6826 7.6826 7.7046 7.7046 9.9925 9.9925 10.0170 10.0170 12.0567 12.0567 12.0914 12.0914 12.8882 12.8882 k = 0.2200 0.3811 0.2528 ( 4752 PWs) bands (ev): -26.2254 -26.2254 -26.2254 -26.2254 -9.1136 -9.1136 -9.1106 -9.1106 -8.0224 -8.0224 -8.0171 -8.0171 -7.9571 -7.9571 -7.9570 -7.9570 -1.4998 -1.4998 -1.4920 -1.4920 4.3271 4.3271 4.3532 4.3532 5.4365 5.4365 5.4440 5.4440 5.6868 5.6868 5.6907 5.6907 6.0253 6.0253 6.1043 6.1043 6.2404 6.2404 6.2484 6.2484 6.3127 6.3127 6.3930 6.3930 6.9362 6.9362 7.0187 7.0187 7.6583 7.6583 7.6794 7.6794 10.0248 10.0248 10.0477 10.0477 11.9994 11.9994 12.0324 12.0324 12.8022 12.8022 k = 0.2133 0.3695 0.2528 ( 4748 PWs) bands (ev): -26.2258 -26.2258 -26.2258 -26.2258 -9.1120 -9.1120 -9.1091 -9.1091 -8.0204 -8.0204 -8.0155 -8.0155 -7.9552 -7.9552 -7.9551 -7.9551 -1.5189 -1.5189 -1.5116 -1.5116 4.3486 4.3486 4.3732 4.3732 5.4333 5.4333 5.4378 5.4378 5.6778 5.6778 5.6845 5.6845 6.0299 6.0299 6.1020 6.1020 6.2466 6.2466 6.2503 6.2503 6.3495 6.3495 6.4313 6.4313 6.9917 6.9917 7.0687 7.0687 7.6359 7.6359 7.6561 7.6561 10.0606 10.0606 10.0820 10.0820 11.9442 11.9442 11.9756 11.9756 12.7168 12.7168 k = 0.2067 0.3580 0.2528 ( 4752 PWs) bands (ev): -26.2261 -26.2261 -26.2261 -26.2261 -9.1102 -9.1102 -9.1075 -9.1075 -8.0182 -8.0182 -8.0138 -8.0138 -7.9532 -7.9532 -7.9530 -7.9530 -1.5387 -1.5387 -1.5319 -1.5319 4.3719 4.3719 4.3951 4.3951 5.4296 5.4296 5.4309 5.4309 5.6686 5.6686 5.6782 5.6782 6.0342 6.0342 6.0998 6.0998 6.2489 6.2489 6.2517 6.2517 6.3926 6.3926 6.4721 6.4721 7.0447 7.0447 7.1162 7.1162 7.6172 7.6172 7.6366 7.6366 10.0999 10.0999 10.1199 10.1199 11.8911 11.8911 11.9211 11.9211 12.6322 12.6322 k = 0.2000 0.3464 0.2528 ( 4760 PWs) bands (ev): -26.2265 -26.2265 -26.2265 -26.2265 -9.1084 -9.1084 -9.1059 -9.1059 -8.0160 -8.0160 -8.0120 -8.0120 -7.9512 -7.9512 -7.9509 -7.9509 -1.5592 -1.5592 -1.5529 -1.5529 4.3968 4.3968 4.4188 4.4188 5.4232 5.4232 5.4252 5.4252 5.6598 5.6598 5.6720 5.6720 6.0384 6.0384 6.0978 6.0978 6.2494 6.2494 6.2527 6.2527 6.4397 6.4397 6.5155 6.5155 7.0928 7.0928 7.1586 7.1586 7.6045 7.6045 7.6235 7.6235 10.1427 10.1427 10.1613 10.1613 11.8402 11.8402 11.8689 11.8689 12.5488 12.5488 k = 0.1933 0.3349 0.2528 ( 4760 PWs) bands (ev): -26.2268 -26.2268 -26.2268 -26.2268 -9.1065 -9.1065 -9.1042 -9.1042 -8.0137 -8.0137 -8.0101 -8.0101 -7.9491 -7.9491 -7.9487 -7.9487 -1.5802 -1.5802 -1.5744 -1.5744 4.4233 4.4233 4.4440 4.4440 5.4146 5.4146 5.4199 5.4199 5.6514 5.6514 5.6658 5.6658 6.0426 6.0426 6.0959 6.0959 6.2491 6.2491 6.2533 6.2533 6.4900 6.4900 6.5613 6.5613 7.1330 7.1330 7.1926 7.1926 7.6010 7.6010 7.6203 7.6203 10.1890 10.1890 10.2063 10.2063 11.7916 11.7916 11.8190 11.8190 12.4667 12.4667 k = 0.1867 0.3233 0.2528 ( 4760 PWs) bands (ev): -26.2272 -26.2272 -26.2272 -26.2272 -9.1046 -9.1046 -9.1024 -9.1024 -8.0114 -8.0114 -8.0081 -8.0081 -7.9469 -7.9469 -7.9464 -7.9464 -1.6018 -1.6018 -1.5964 -1.5964 4.4512 4.4512 4.4708 4.4708 5.4053 5.4053 5.4136 5.4136 5.6435 5.6435 5.6598 5.6598 6.0466 6.0466 6.0941 6.0941 6.2483 6.2483 6.2535 6.2535 6.5431 6.5431 6.6095 6.6095 7.1620 7.1620 7.2148 7.2148 7.6100 7.6100 7.6305 7.6305 10.2387 10.2387 10.2547 10.2547 11.7454 11.7454 11.7715 11.7715 12.3861 12.3861 k = 0.1800 0.3118 0.2528 ( 4756 PWs) bands (ev): -26.2276 -26.2276 -26.2276 -26.2276 -9.1026 -9.1026 -9.1006 -9.1006 -8.0091 -8.0091 -8.0062 -8.0062 -7.9446 -7.9446 -7.9440 -7.9440 -1.6236 -1.6236 -1.6187 -1.6187 4.4803 4.4803 4.4988 4.4988 5.3952 5.3952 5.4064 5.4064 5.6362 5.6362 5.6539 5.6539 6.0506 6.0506 6.0925 6.0925 6.2471 6.2471 6.2534 6.2534 6.5986 6.5986 6.6600 6.6600 7.1783 7.1783 7.2238 7.2238 7.6336 7.6336 7.6557 7.6557 10.2917 10.2917 10.3065 10.3065 11.7016 11.7016 11.7266 11.7266 12.3072 12.3072 k = 0.1733 0.3002 0.2528 ( 4752 PWs) bands (ev): -26.2280 -26.2280 -26.2280 -26.2280 -9.1006 -9.1006 -9.0988 -9.0988 -8.0068 -8.0068 -8.0042 -8.0042 -7.9421 -7.9421 -7.9415 -7.9415 -1.6458 -1.6458 -1.6413 -1.6413 4.5104 4.5104 4.5280 4.5280 5.3845 5.3845 5.3982 5.3982 5.6296 5.6296 5.6482 5.6482 6.0545 6.0545 6.0910 6.0910 6.2456 6.2456 6.2529 6.2529 6.6562 6.6562 6.7123 6.7123 7.1826 7.1826 7.2209 7.2209 7.6713 7.6713 7.6949 7.6949 10.3478 10.3478 10.3616 10.3616 11.6602 11.6602 11.6842 11.6842 12.2301 12.2301 k = 0.1667 0.2887 0.2528 ( 4760 PWs) bands (ev): -26.2284 -26.2284 -26.2284 -26.2284 -9.0985 -9.0985 -9.0969 -9.0969 -8.0045 -8.0045 -8.0023 -8.0023 -7.9395 -7.9395 -7.9388 -7.9388 -1.6681 -1.6681 -1.6640 -1.6640 4.5414 4.5414 4.5581 4.5581 5.3732 5.3732 5.3889 5.3889 5.6235 5.6235 5.6425 5.6425 6.0581 6.0581 6.0896 6.0896 6.2439 6.2439 6.2520 6.2520 6.7153 6.7153 6.7655 6.7655 7.1785 7.1785 7.2100 7.2100 7.7205 7.7205 7.7449 7.7449 10.4070 10.4070 10.4197 10.4197 11.6213 11.6213 11.6444 11.6444 12.1548 12.1548 k = 0.1600 0.2771 0.2528 ( 4748 PWs) bands (ev): -26.2288 -26.2288 -26.2288 -26.2288 -9.0965 -9.0965 -9.0950 -9.0950 -8.0023 -8.0023 -8.0004 -8.0004 -7.9367 -7.9367 -7.9360 -7.9360 -1.6905 -1.6905 -1.6868 -1.6868 4.5731 4.5731 4.5891 4.5891 5.3614 5.3614 5.3789 5.3789 5.6180 5.6180 5.6370 5.6370 6.0616 6.0616 6.0883 6.0883 6.2420 6.2420 6.2509 6.2509 6.7747 6.7747 6.8182 6.8182 7.1710 7.1710 7.1954 7.1954 7.7781 7.7781 7.8026 7.8026 10.4690 10.4690 10.4807 10.4807 11.5849 11.5849 11.6072 11.6072 12.0815 12.0815 k = 0.1533 0.2656 0.2528 ( 4744 PWs) bands (ev): -26.2292 -26.2292 -26.2292 -26.2292 -9.0944 -9.0944 -9.0931 -9.0931 -8.0003 -8.0003 -7.9986 -7.9986 -7.9338 -7.9338 -7.9331 -7.9331 -1.7128 -1.7128 -1.7095 -1.7095 4.6053 4.6053 4.6206 4.6206 5.3493 5.3493 5.3680 5.3680 5.6128 5.6128 5.6314 5.6314 6.0648 6.0648 6.0871 6.0871 6.2398 6.2398 6.2494 6.2494 6.8319 6.8319 6.8668 6.8668 7.1659 7.1659 7.1821 7.1821 7.8414 7.8414 7.8654 7.8654 10.5335 10.5335 10.5444 10.5444 11.5511 11.5511 11.5727 11.5727 12.0104 12.0104 k = 0.1467 0.2540 0.2528 ( 4740 PWs) bands (ev): -26.2296 -26.2296 -26.2296 -26.2296 -9.0924 -9.0924 -9.0912 -9.0912 -7.9983 -7.9983 -7.9969 -7.9969 -7.9307 -7.9307 -7.9300 -7.9300 -1.7350 -1.7350 -1.7321 -1.7321 4.6379 4.6379 4.6525 4.6525 5.3370 5.3370 5.3566 5.3566 5.6079 5.6079 5.6257 5.6257 6.0678 6.0678 6.0860 6.0860 6.2375 6.2375 6.2476 6.2476 6.8823 6.8823 6.9055 6.9055 7.1713 7.1713 7.1766 7.1766 7.9084 7.9084 7.9316 7.9316 10.6003 10.6003 10.6104 10.6104 11.5198 11.5198 11.5409 11.5409 11.9414 11.9414 k = 0.1400 0.2425 0.2528 ( 4748 PWs) bands (ev): -26.2300 -26.2300 -26.2300 -26.2300 -9.0904 -9.0904 -9.0893 -9.0893 -7.9965 -7.9965 -7.9953 -7.9953 -7.9274 -7.9274 -7.9268 -7.9268 -1.7570 -1.7570 -1.7544 -1.7544 4.6706 4.6706 4.6847 4.6847 5.3245 5.3245 5.3447 5.3447 5.6031 5.6031 5.6199 5.6199 6.0704 6.0704 6.0849 6.0849 6.2351 6.2351 6.2455 6.2455 6.9178 6.9178 6.9274 6.9274 7.1879 7.1879 7.1953 7.1953 7.9778 7.9778 7.9998 7.9998 10.6689 10.6689 10.6783 10.6783 11.4909 11.4909 11.5116 11.5116 11.8751 11.8751 k = 0.1333 0.2309 0.2528 ( 4740 PWs) bands (ev): -26.2304 -26.2304 -26.2304 -26.2304 -9.0884 -9.0884 -9.0874 -9.0874 -7.9948 -7.9948 -7.9938 -7.9938 -7.9241 -7.9241 -7.9234 -7.9234 -1.7787 -1.7787 -1.7764 -1.7764 4.7034 4.7034 4.7170 4.7170 5.3119 5.3119 5.3324 5.3324 5.5984 5.5984 5.6140 5.6140 6.0727 6.0727 6.0839 6.0839 6.2326 6.2326 6.2431 6.2431 6.9307 6.9307 6.9323 6.9323 7.2233 7.2233 7.2408 7.2408 8.0484 8.0484 8.0693 8.0693 10.7387 10.7387 10.7475 10.7475 11.4643 11.4643 11.4847 11.4847 11.8118 11.8118 k = 0.1267 0.2194 0.2528 ( 4742 PWs) bands (ev): -26.2308 -26.2308 -26.2308 -26.2308 -9.0864 -9.0864 -9.0856 -9.0856 -7.9933 -7.9933 -7.9925 -7.9925 -7.9205 -7.9205 -7.9199 -7.9199 -1.7999 -1.7999 -1.7979 -1.7979 4.7360 4.7360 4.7492 4.7492 5.2994 5.2994 5.3199 5.3199 5.5935 5.5935 5.6079 5.6079 6.0745 6.0745 6.0829 6.0829 6.2299 6.2299 6.2405 6.2405 6.9206 6.9206 6.9282 6.9282 7.2807 7.2807 7.3030 7.3030 8.1196 8.1196 8.1392 8.1392 10.8089 10.8089 10.8171 10.8171 11.4397 11.4397 11.4598 11.4598 11.7524 11.7524 k = 0.1200 0.2078 0.2528 ( 4750 PWs) bands (ev): -26.2312 -26.2312 -26.2312 -26.2312 -9.0845 -9.0845 -9.0838 -9.0838 -7.9919 -7.9919 -7.9912 -7.9912 -7.9169 -7.9169 -7.9163 -7.9163 -1.8206 -1.8206 -1.8189 -1.8189 4.7684 4.7684 4.7812 4.7812 5.2871 5.2871 5.3074 5.3074 5.5885 5.5885 5.6016 5.6016 6.0760 6.0760 6.0819 6.0819 6.2273 6.2273 6.2376 6.2376 6.9031 6.9031 6.9129 6.9129 7.3531 7.3531 7.3766 7.3766 8.1906 8.1906 8.2089 8.2089 10.8780 10.8780 10.8858 10.8858 11.4167 11.4167 11.4362 11.4362 11.6984 11.6984 k = 0.1133 0.1963 0.2528 ( 4742 PWs) bands (ev): -26.2316 -26.2316 -26.2316 -26.2316 -9.0827 -9.0827 -9.0821 -9.0821 -7.9907 -7.9907 -7.9901 -7.9901 -7.9132 -7.9132 -7.9127 -7.9127 -1.8408 -1.8408 -1.8393 -1.8393 4.8004 4.8004 4.8128 4.8128 5.2750 5.2750 5.2949 5.2949 5.5833 5.5833 5.5950 5.5950 6.0771 6.0771 6.0809 6.0809 6.2246 6.2246 6.2346 6.2346 6.8820 6.8820 6.8921 6.8921 7.4351 7.4351 7.4580 7.4580 8.2609 8.2609 8.2780 8.2780 10.9437 10.9437 10.9515 10.9515 11.3949 11.3949 11.4131 11.4131 11.6524 11.6524 k = 0.1067 0.1848 0.2528 ( 4750 PWs) bands (ev): -26.2320 -26.2320 -26.2320 -26.2320 -9.0809 -9.0809 -9.0804 -9.0804 -7.9896 -7.9896 -7.9891 -7.9891 -7.9095 -7.9095 -7.9090 -7.9090 -1.8602 -1.8602 -1.8590 -1.8590 4.8318 4.8318 4.8438 4.8438 5.2633 5.2633 5.2826 5.2826 5.5777 5.5777 5.5882 5.5882 6.0778 6.0778 6.0800 6.0800 6.2219 6.2219 6.2314 6.2314 6.8592 6.8592 6.8688 6.8688 7.5238 7.5238 7.5452 7.5452 8.3301 8.3301 8.3459 8.3459 11.0019 11.0019 11.0100 11.0100 11.3751 11.3751 11.3902 11.3902 11.6178 11.6178 k = 0.1000 0.1732 0.2528 ( 4754 PWs) bands (ev): -26.2323 -26.2323 -26.2323 -26.2323 -9.0792 -9.0792 -9.0788 -9.0788 -7.9886 -7.9886 -7.9883 -7.9883 -7.9058 -7.9058 -7.9054 -7.9054 -1.8790 -1.8790 -1.8779 -1.8779 4.8625 4.8625 4.8742 4.8742 5.2520 5.2520 5.2706 5.2706 5.5718 5.5718 5.5810 5.5810 6.0782 6.0782 6.0790 6.0790 6.2192 6.2192 6.2281 6.2281 6.8361 6.8361 6.8448 6.8448 7.6174 7.6174 7.6371 7.6371 8.3976 8.3976 8.4123 8.4123 11.0453 11.0453 11.0543 11.0543 11.3604 11.3604 11.3703 11.3703 11.5983 11.5983 k = 0.0933 0.1617 0.2528 ( 4746 PWs) bands (ev): -26.2327 -26.2327 -26.2327 -26.2327 -9.0776 -9.0776 -9.0772 -9.0772 -7.9878 -7.9878 -7.9875 -7.9875 -7.9021 -7.9021 -7.9017 -7.9017 -1.8968 -1.8968 -1.8960 -1.8960 4.8924 4.8924 4.9037 4.9037 5.2413 5.2413 5.2590 5.2590 5.5656 5.5656 5.5736 5.5736 6.0781 6.0781 6.0782 6.0782 6.2166 6.2166 6.2247 6.2247 6.8134 6.8134 6.8210 6.8210 7.7152 7.7152 7.7330 7.7330 8.4632 8.4632 8.4767 8.4767 11.0632 11.0632 11.0734 11.0734 11.3577 11.3577 11.3609 11.3609 11.5962 11.5962 k = 0.0867 0.1501 0.2528 ( 4748 PWs) bands (ev): -26.2330 -26.2330 -26.2330 -26.2330 -9.0761 -9.0761 -9.0758 -9.0758 -7.9870 -7.9870 -7.9868 -7.9868 -7.8984 -7.8984 -7.8981 -7.8981 -1.9138 -1.9138 -1.9131 -1.9131 4.9213 4.9213 4.9323 4.9323 5.2312 5.2312 5.2480 5.2480 5.5590 5.5590 5.5659 5.5659 6.0772 6.0772 6.0780 6.0780 6.2141 6.2141 6.2213 6.2213 6.7914 6.7914 6.7979 6.7979 7.8163 7.8163 7.8322 7.8322 8.5263 8.5263 8.5386 8.5386 11.0492 11.0492 11.0595 11.0595 11.3682 11.3682 11.3709 11.3709 11.6113 11.6113 k = 0.0800 0.1386 0.2528 ( 4748 PWs) bands (ev): -26.2333 -26.2333 -26.2333 -26.2333 -9.0746 -9.0746 -9.0744 -9.0744 -7.9864 -7.9864 -7.9862 -7.9862 -7.8949 -7.8949 -7.8947 -7.8947 -1.9298 -1.9298 -1.9293 -1.9293 4.9491 4.9491 4.9596 4.9596 5.2218 5.2218 5.2375 5.2375 5.5521 5.5521 5.5579 5.5579 6.0763 6.0763 6.0775 6.0775 6.2117 6.2117 6.2179 6.2179 6.7705 6.7705 6.7759 6.7759 7.9203 7.9203 7.9344 7.9344 8.5865 8.5865 8.5978 8.5978 11.0077 11.0077 11.0166 11.0166 11.3883 11.3883 11.3943 11.3943 11.6395 11.6395 k = 0.0733 0.1270 0.2528 ( 4746 PWs) bands (ev): -26.2336 -26.2336 -26.2336 -26.2336 -9.0733 -9.0733 -9.0731 -9.0731 -7.9858 -7.9858 -7.9857 -7.9857 -7.8915 -7.8915 -7.8913 -7.8913 -1.9447 -1.9447 -1.9443 -1.9443 4.9756 4.9756 4.9856 4.9856 5.2133 5.2133 5.2278 5.2278 5.5449 5.5449 5.5497 5.5497 6.0754 6.0754 6.0767 6.0767 6.2093 6.2093 6.2146 6.2146 6.7509 6.7509 6.7553 6.7553 8.0265 8.0265 8.0389 8.0389 8.6435 8.6435 8.6537 8.6537 10.9477 10.9477 10.9546 10.9546 11.4136 11.4136 11.4211 11.4211 11.6820 11.6820 k = 0.0667 0.1155 0.2528 ( 4754 PWs) bands (ev): -26.2339 -26.2339 -26.2339 -26.2339 -9.0721 -9.0721 -9.0719 -9.0719 -7.9854 -7.9854 -7.9853 -7.9853 -7.8883 -7.8883 -7.8881 -7.8881 -1.9586 -1.9586 -1.9583 -1.9583 5.0006 5.0006 5.0100 5.0100 5.2058 5.2058 5.2190 5.2190 5.5374 5.5374 5.5413 5.5413 6.0745 6.0745 6.0758 6.0758 6.2070 6.2070 6.2113 6.2113 6.7328 6.7328 6.7362 6.7362 8.1343 8.1343 8.1452 8.1452 8.6969 8.6969 8.7061 8.7061 10.8753 10.8753 10.8804 10.8804 11.4410 11.4410 11.4487 11.4487 11.7334 11.7334 k = 0.0600 0.1039 0.2528 ( 4758 PWs) bands (ev): -26.2342 -26.2342 -26.2342 -26.2342 -9.0710 -9.0710 -9.0709 -9.0709 -7.9850 -7.9850 -7.9849 -7.9849 -7.8852 -7.8852 -7.8851 -7.8851 -1.9713 -1.9713 -1.9711 -1.9711 5.0239 5.0239 5.0325 5.0325 5.1995 5.1995 5.2112 5.2112 5.5297 5.5297 5.5329 5.5329 6.0736 6.0736 6.0749 6.0749 6.2049 6.2049 6.2083 6.2083 6.7162 6.7162 6.7187 6.7187 8.2432 8.2432 8.2526 8.2526 8.7463 8.7463 8.7545 8.7545 10.7944 10.7944 10.7980 10.7980 11.4702 11.4702 11.4775 11.4775 11.7880 11.7880 k = 0.0533 0.0924 0.2528 ( 4750 PWs) bands (ev): -26.2344 -26.2344 -26.2344 -26.2344 -9.0699 -9.0699 -9.0699 -9.0699 -7.9847 -7.9847 -7.9846 -7.9846 -7.8824 -7.8824 -7.8824 -7.8824 -1.9828 -1.9828 -1.9827 -1.9827 5.0452 5.0452 5.0528 5.0528 5.1946 5.1946 5.2047 5.2047 5.5220 5.5220 5.5244 5.5244 6.0729 6.0729 6.0739 6.0739 6.2029 6.2029 6.2055 6.2055 6.7012 6.7012 6.7030 6.7030 8.3522 8.3522 8.3602 8.3602 8.7915 8.7915 8.7987 8.7987 10.7074 10.7074 10.7098 10.7098 11.5018 11.5018 11.5083 11.5083 11.8409 11.8409 k = 0.0467 0.0808 0.2528 ( 4746 PWs) bands (ev): -26.2346 -26.2346 -26.2346 -26.2346 -9.0690 -9.0690 -9.0690 -9.0690 -7.9844 -7.9844 -7.9844 -7.9844 -7.8799 -7.8799 -7.8798 -7.8798 -1.9931 -1.9931 -1.9930 -1.9930 5.0642 5.0642 5.0706 5.0706 5.1913 5.1913 5.1995 5.1995 5.5143 5.5143 5.5161 5.5161 6.0721 6.0721 6.0729 6.0729 6.2011 6.2011 6.2029 6.2029 6.6878 6.6878 6.6891 6.6891 8.4602 8.4602 8.4669 8.4669 8.8321 8.8321 8.8384 8.8384 10.6166 10.6166 10.6182 10.6182 11.5359 11.5359 11.5416 11.5416 11.8878 11.8878 k = 0.0400 0.0693 0.2528 ( 4758 PWs) bands (ev): -26.2348 -26.2348 -26.2348 -26.2348 -9.0683 -9.0683 -9.0682 -9.0682 -7.9842 -7.9842 -7.9841 -7.9841 -7.8776 -7.8776 -7.8776 -7.8776 -2.0021 -2.0021 -2.0020 -2.0020 5.0804 5.0804 5.0854 5.0854 5.1897 5.1897 5.1960 5.1960 5.5069 5.5069 5.5081 5.5081 6.0714 6.0714 6.0719 6.0719 6.1994 6.1994 6.2006 6.2006 6.6762 6.6762 6.6771 6.6771 8.5657 8.5657 8.5713 8.5713 8.8680 8.8680 8.8733 8.8733 10.5243 10.5243 10.5252 10.5252 11.5726 11.5726 11.5773 11.5773 11.9255 11.9255 k = 0.0333 0.0577 0.2528 ( 4760 PWs) bands (ev): -26.2349 -26.2349 -26.2349 -26.2349 -9.0676 -9.0676 -9.0676 -9.0676 -7.9840 -7.9840 -7.9840 -7.9840 -7.8757 -7.8757 -7.8757 -7.8757 -2.0098 -2.0098 -2.0097 -2.0097 5.0935 5.0935 5.0970 5.0970 5.1900 5.1900 5.1943 5.1943 5.4999 5.4999 5.5007 5.5007 6.0707 6.0707 6.0711 6.0711 6.1979 6.1979 6.1986 6.1986 6.6663 6.6663 6.6668 6.6668 8.6666 8.6666 8.6711 8.6711 8.8989 8.8989 8.9034 8.9034 10.4331 10.4331 10.4336 10.4336 11.6113 11.6113 11.6150 11.6150 11.9517 11.9517 k = 0.0267 0.0462 0.2528 ( 4764 PWs) bands (ev): -26.2351 -26.2351 -26.2351 -26.2351 -9.0671 -9.0671 -9.0671 -9.0671 -7.9838 -7.9838 -7.9838 -7.9838 -7.8741 -7.8741 -7.8741 -7.8741 -2.0161 -2.0161 -2.0161 -2.0161 5.1033 5.1033 5.1054 5.1054 5.1920 5.1920 5.1945 5.1945 5.4937 5.4937 5.4941 5.4941 6.0702 6.0702 6.0704 6.0704 6.1966 6.1966 6.1970 6.1970 6.6582 6.6582 6.6585 6.6585 8.7598 8.7598 8.7634 8.7634 8.9251 8.9251 8.9285 8.9285 10.3465 10.3465 10.3467 10.3467 11.6509 11.6509 11.6537 11.6537 11.9660 11.9660 k = 0.0200 0.0346 0.2528 ( 4756 PWs) bands (ev): -26.2352 -26.2352 -26.2352 -26.2352 -9.0666 -9.0666 -9.0666 -9.0666 -7.9837 -7.9837 -7.9837 -7.9837 -7.8728 -7.8728 -7.8728 -7.8728 -2.0210 -2.0210 -2.0210 -2.0210 5.1100 5.1100 5.1109 5.1109 5.1949 5.1949 5.1960 5.1960 5.4884 5.4884 5.4885 5.4885 6.0697 6.0697 6.0698 6.0698 6.1955 6.1955 6.1957 6.1957 6.6519 6.6519 6.6520 6.6520 8.8410 8.8410 8.8435 8.8435 8.9467 8.9467 8.9492 8.9492 10.2689 10.2689 10.2690 10.2690 11.6896 11.6896 11.6913 11.6913 11.9706 11.9706 k = 0.0133 0.0231 0.2528 ( 4752 PWs) bands (ev): -26.2352 -26.2352 -26.2352 -26.2352 -9.0663 -9.0663 -9.0663 -9.0663 -7.9837 -7.9837 -7.9837 -7.9837 -7.8719 -7.8719 -7.8719 -7.8719 -2.0246 -2.0246 -2.0246 -2.0246 5.1140 5.1140 5.1143 5.1143 5.1978 5.1978 5.1981 5.1981 5.4843 5.4843 5.4843 5.4843 6.0694 6.0694 6.0694 6.0694 6.1948 6.1948 6.1948 6.1948 6.6474 6.6474 6.6474 6.6474 8.9034 8.9034 8.9048 8.9048 8.9654 8.9654 8.9667 8.9667 10.2062 10.2062 10.2062 10.2062 11.7243 11.7243 11.7250 11.7250 11.9694 11.9694 k = 0.0067 0.0115 0.2528 ( 4744 PWs) bands (ev): -26.2353 -26.2353 -26.2353 -26.2353 -9.0662 -9.0662 -9.0662 -9.0662 -7.9836 -7.9836 -7.9836 -7.9836 -7.8713 -7.8713 -7.8713 -7.8713 -2.0267 -2.0267 -2.0267 -2.0267 5.1161 5.1161 5.1161 5.1161 5.1999 5.1999 5.1999 5.1999 5.4817 5.4817 5.4817 5.4817 6.0692 6.0692 6.0692 6.0692 6.1943 6.1943 6.1943 6.1943 6.6446 6.6446 6.6446 6.6446 8.9387 8.9387 8.9390 8.9390 8.9829 8.9829 8.9831 8.9831 10.1646 10.1646 10.1646 10.1646 11.7497 11.7497 11.7499 11.7499 11.9659 11.9659 k = 0.0000 0.0000 0.2528 ( 4738 PWs) bands (ev): -26.2353 -26.2353 -26.2353 -26.2353 -9.0661 -9.0661 -9.0661 -9.0661 -7.9836 -7.9836 -7.9836 -7.9836 -7.8712 -7.8712 -7.8712 -7.8712 -2.0274 -2.0274 -2.0274 -2.0274 5.1167 5.1167 5.1167 5.1167 5.2007 5.2007 5.2007 5.2007 5.4808 5.4808 5.4808 5.4808 6.0691 6.0691 6.0691 6.0691 6.1941 6.1941 6.1941 6.1941 6.6437 6.6437 6.6437 6.6437 8.9483 8.9483 8.9483 8.9483 8.9915 8.9915 8.9915 8.9915 10.1500 10.1500 10.1500 10.1500 11.7593 11.7593 11.7593 11.7593 11.9634 11.9634 k = 0.5000 0.2887 0.2528 ( 4756 PWs) bands (ev): -26.2242 -26.2242 -26.2242 -26.2242 -9.1206 -9.1206 -9.1206 -9.1206 -8.0466 -8.0466 -8.0466 -8.0466 -7.9404 -7.9404 -7.9404 -7.9404 -1.4164 -1.4164 -1.4164 -1.4164 4.0313 4.0313 4.0313 4.0313 5.5758 5.5758 5.5758 5.5758 5.7137 5.7137 5.7137 5.7137 6.0741 6.0741 6.0741 6.0741 6.1838 6.1838 6.1838 6.1838 6.2703 6.2703 6.2703 6.2703 7.2616 7.2616 7.2616 7.2616 7.8042 7.8042 7.8042 7.8042 9.6267 9.6267 9.6267 9.6267 10.9513 10.9513 10.9513 10.9513 14.1330 14.1330 k = 0.5000 0.2887 0.2395 ( 4756 PWs) bands (ev): -26.2245 -26.2245 -26.2239 -26.2239 -9.1214 -9.1214 -9.1198 -9.1198 -8.0472 -8.0472 -8.0462 -8.0462 -7.9427 -7.9427 -7.9379 -7.9379 -1.4272 -1.4272 -1.4057 -1.4057 3.9992 3.9992 4.0640 4.0640 5.5649 5.5649 5.5867 5.5867 5.7122 5.7122 5.7152 5.7152 6.0717 6.0717 6.0766 6.0766 6.1794 6.1794 6.1880 6.1880 6.2683 6.2683 6.2723 6.2723 7.2390 7.2390 7.2844 7.2844 7.8003 7.8003 7.8058 7.8058 9.6026 9.6026 9.6485 9.6485 10.9501 10.9501 10.9638 10.9638 14.0614 14.0614 k = 0.5000 0.2887 0.2262 ( 4756 PWs) bands (ev): -26.2247 -26.2247 -26.2237 -26.2237 -9.1222 -9.1222 -9.1190 -9.1190 -8.0480 -8.0480 -8.0458 -8.0458 -7.9447 -7.9447 -7.9353 -7.9353 -1.4378 -1.4378 -1.3950 -1.3950 3.9680 3.9680 4.0971 4.0971 5.5539 5.5539 5.5975 5.5975 5.7108 5.7108 5.7167 5.7167 6.0690 6.0690 6.0788 6.0788 6.1751 6.1751 6.1922 6.1922 6.2661 6.2661 6.2743 6.2743 7.2167 7.2167 7.3072 7.3072 7.7945 7.7945 7.8050 7.8050 9.5774 9.5774 9.6669 9.6669 10.9613 10.9613 10.9862 10.9862 13.9926 13.9926 k = 0.5000 0.2887 0.2129 ( 4760 PWs) bands (ev): -26.2250 -26.2250 -26.2234 -26.2234 -9.1231 -9.1231 -9.1182 -9.1182 -8.0489 -8.0489 -8.0456 -8.0456 -7.9466 -7.9466 -7.9326 -7.9326 -1.4483 -1.4483 -1.3844 -1.3844 3.9376 3.9376 4.1306 4.1306 5.5429 5.5429 5.6082 5.6082 5.7093 5.7093 5.7182 5.7182 6.0663 6.0663 6.0810 6.0810 6.1706 6.1706 6.1962 6.1962 6.2639 6.2639 6.2762 6.2762 7.1950 7.1950 7.3300 7.3300 7.7869 7.7869 7.8017 7.8017 9.5524 9.5524 9.6809 9.6809 10.9855 10.9855 11.0174 11.0174 13.9267 13.9267 k = 0.5000 0.2887 0.1996 ( 4764 PWs) bands (ev): -26.2253 -26.2253 -26.2231 -26.2231 -9.1239 -9.1239 -9.1175 -9.1175 -8.0498 -8.0498 -8.0456 -8.0456 -7.9482 -7.9482 -7.9298 -7.9298 -1.4586 -1.4586 -1.3741 -1.3741 3.9084 3.9084 4.1641 4.1641 5.5320 5.5320 5.6188 5.6188 5.7078 5.7078 5.7196 5.7196 6.0636 6.0636 6.0831 6.0831 6.1663 6.1663 6.2000 6.2000 6.2617 6.2617 6.2780 6.2780 7.1738 7.1738 7.3524 7.3524 7.7780 7.7780 7.7958 7.7958 9.5286 9.5286 9.6900 9.6900 11.0227 11.0227 11.0560 11.0560 13.8637 13.8637 k = 0.5000 0.2887 0.1863 ( 4756 PWs) bands (ev): -26.2255 -26.2255 -26.2229 -26.2229 -9.1248 -9.1248 -9.1168 -9.1168 -8.0509 -8.0509 -8.0456 -8.0456 -7.9496 -7.9496 -7.9269 -7.9269 -1.4685 -1.4685 -1.3640 -1.3640 3.8805 3.8805 4.1975 4.1975 5.5210 5.5210 5.6292 5.6292 5.7064 5.7064 5.7212 5.7212 6.0608 6.0608 6.0852 6.0852 6.1620 6.1620 6.2037 6.2037 6.2595 6.2595 6.2799 6.2799 7.1534 7.1534 7.3745 7.3745 7.7680 7.7680 7.7874 7.7874 9.5069 9.5069 9.6944 9.6944 11.0719 11.0719 11.1016 11.1016 13.8039 13.8039 k = 0.5000 0.2887 0.1730 ( 4768 PWs) bands (ev): -26.2258 -26.2258 -26.2226 -26.2226 -9.1256 -9.1256 -9.1162 -9.1162 -8.0520 -8.0520 -8.0458 -8.0458 -7.9508 -7.9508 -7.9240 -7.9240 -1.4781 -1.4781 -1.3543 -1.3543 3.8539 3.8539 4.2306 4.2306 5.5101 5.5101 5.6393 5.6393 5.7050 5.7050 5.7227 5.7227 6.0578 6.0578 6.0870 6.0870 6.1577 6.1577 6.2070 6.2070 6.2572 6.2572 6.2816 6.2816 7.1339 7.1339 7.3959 7.3959 7.7572 7.7572 7.7768 7.7768 9.4879 9.4879 9.6943 9.6943 11.1294 11.1294 11.1558 11.1558 13.7474 13.7474 k = 0.5000 0.2887 0.1597 ( 4764 PWs) bands (ev): -26.2260 -26.2260 -26.2224 -26.2224 -9.1265 -9.1265 -9.1156 -9.1156 -8.0532 -8.0532 -8.0460 -8.0460 -7.9518 -7.9518 -7.9211 -7.9211 -1.4873 -1.4873 -1.3450 -1.3450 3.8287 3.8287 4.2630 4.2630 5.4993 5.4993 5.6491 5.6491 5.7037 5.7037 5.7243 5.7243 6.0549 6.0549 6.0889 6.0889 6.1536 6.1536 6.2101 6.2101 6.2551 6.2551 6.2833 6.2833 7.1153 7.1153 7.4166 7.4166 7.7460 7.7460 7.7641 7.7641 9.4719 9.4719 9.6905 9.6905 11.1872 11.1872 11.2242 11.2242 13.6943 13.6943 k = 0.5000 0.2887 0.1463 ( 4760 PWs) bands (ev): -26.2262 -26.2262 -26.2222 -26.2222 -9.1273 -9.1273 -9.1151 -9.1151 -8.0544 -8.0544 -8.0463 -8.0463 -7.9526 -7.9526 -7.9183 -7.9183 -1.4960 -1.4960 -1.3362 -1.3362 3.8052 3.8052 4.2946 4.2946 5.4887 5.4887 5.6584 5.6584 5.7024 5.7024 5.7259 5.7259 6.0520 6.0520 6.0905 6.0905 6.1496 6.1496 6.2129 6.2129 6.2530 6.2530 6.2849 6.2849 7.0978 7.0978 7.4363 7.4363 7.7347 7.7347 7.7499 7.7499 9.4590 9.4590 9.6838 9.6838 11.2427 11.2427 11.3073 11.3073 13.6448 13.6448 k = 0.5000 0.2887 0.1330 ( 4778 PWs) bands (ev): -26.2264 -26.2264 -26.2220 -26.2220 -9.1280 -9.1280 -9.1146 -9.1146 -8.0556 -8.0556 -8.0466 -8.0466 -7.9533 -7.9533 -7.9156 -7.9156 -1.5041 -1.5041 -1.3279 -1.3279 3.7833 3.7833 4.3251 4.3251 5.4782 5.4782 5.6671 5.6671 5.7012 5.7012 5.7277 5.7277 6.0490 6.0490 6.0921 6.0921 6.1458 6.1458 6.2153 6.2153 6.2510 6.2510 6.2864 6.2864 7.0814 7.0814 7.4550 7.4550 7.7234 7.7234 7.7346 7.7346 9.4490 9.4490 9.6750 9.6750 11.2973 11.2973 11.4010 11.4010 13.5990 13.5990 k = 0.5000 0.2887 0.1197 ( 4766 PWs) bands (ev): -26.2266 -26.2266 -26.2218 -26.2218 -9.1287 -9.1287 -9.1141 -9.1141 -8.0568 -8.0568 -8.0470 -8.0470 -7.9538 -7.9538 -7.9131 -7.9131 -1.5116 -1.5116 -1.3202 -1.3202 3.7633 3.7633 4.3541 4.3541 5.4681 5.4681 5.6752 5.6752 5.7001 5.7001 5.7296 5.7296 6.0462 6.0462 6.0935 6.0935 6.1423 6.1423 6.2174 6.2174 6.2493 6.2493 6.2880 6.2880 7.0664 7.0664 7.4723 7.4723 7.7125 7.7125 7.7187 7.7187 9.4418 9.4418 9.6650 9.6650 11.3510 11.3510 11.5033 11.5033 13.5570 13.5570 k = 0.5000 0.2887 0.1064 ( 4744 PWs) bands (ev): -26.2268 -26.2268 -26.2216 -26.2216 -9.1294 -9.1294 -9.1137 -9.1137 -8.0579 -8.0579 -8.0474 -8.0474 -7.9541 -7.9541 -7.9107 -7.9107 -1.5185 -1.5185 -1.3132 -1.3132 3.7451 3.7451 4.3814 4.3814 5.4585 5.4585 5.6824 5.6824 5.6992 5.6992 5.7318 5.7318 6.0434 6.0434 6.0949 6.0949 6.1390 6.1390 6.2191 6.2191 6.2478 6.2478 6.2894 6.2894 7.0527 7.0527 7.4883 7.4883 7.7017 7.7017 7.7032 7.7032 9.4369 9.4369 9.6544 9.6544 11.4028 11.4028 11.6125 11.6125 13.5191 13.5191 k = 0.5000 0.2887 0.0931 ( 4750 PWs) bands (ev): -26.2269 -26.2269 -26.2215 -26.2215 -9.1300 -9.1300 -9.1134 -9.1134 -8.0589 -8.0589 -8.0478 -8.0478 -7.9544 -7.9544 -7.9085 -7.9085 -1.5247 -1.5247 -1.3068 -1.3068 3.7289 3.7289 4.4066 4.4066 5.4493 5.4493 5.6885 5.6885 5.6985 5.6985 5.7342 5.7342 6.0407 6.0407 6.0961 6.0961 6.1359 6.1359 6.2202 6.2202 6.2465 6.2465 6.2907 6.2907 7.0404 7.0404 7.5026 7.5026 7.6869 7.6869 7.6931 7.6931 9.4340 9.4340 9.6439 9.6439 11.4519 11.4519 11.7274 11.7274 13.4852 13.4852 k = 0.5000 0.2887 0.0798 ( 4746 PWs) bands (ev): -26.2271 -26.2271 -26.2213 -26.2213 -9.1305 -9.1305 -9.1131 -9.1131 -8.0599 -8.0599 -8.0482 -8.0482 -7.9546 -7.9546 -7.9065 -7.9065 -1.5301 -1.5301 -1.3013 -1.3013 3.7146 3.7146 4.4294 4.4294 5.4408 5.4408 5.6930 5.6930 5.6985 5.6985 5.7367 5.7367 6.0382 6.0382 6.0972 6.0972 6.1332 6.1332 6.2211 6.2211 6.2455 6.2455 6.2919 6.2919 7.0296 7.0296 7.5153 7.5153 7.6723 7.6723 7.6846 7.6846 9.4326 9.4326 9.6340 9.6340 11.4972 11.4972 11.8468 11.8468 13.4555 13.4555 k = 0.5000 0.2887 0.0665 ( 4748 PWs) bands (ev): -26.2272 -26.2272 -26.2212 -26.2212 -9.1310 -9.1310 -9.1128 -9.1128 -8.0607 -8.0607 -8.0485 -8.0485 -7.9547 -7.9547 -7.9048 -7.9048 -1.5348 -1.5348 -1.2965 -1.2965 3.7025 3.7025 4.4494 4.4494 5.4332 5.4332 5.6948 5.6948 5.7003 5.7003 5.7394 5.7394 6.0360 6.0360 6.0981 6.0981 6.1308 6.1308 6.2215 6.2215 6.2448 6.2448 6.2929 6.2929 7.0203 7.0203 7.5261 7.5261 7.6590 7.6590 7.6773 7.6773 9.4323 9.4323 9.6250 9.6250 11.5376 11.5376 11.9694 11.9694 13.3924 13.3924 k = 0.5000 0.2887 0.0532 ( 4764 PWs) bands (ev): -26.2273 -26.2273 -26.2211 -26.2211 -9.1314 -9.1314 -9.1126 -9.1126 -8.0615 -8.0615 -8.0488 -8.0488 -7.9548 -7.9548 -7.9034 -7.9034 -1.5386 -1.5386 -1.2925 -1.2925 3.6925 3.6925 4.4664 4.4664 5.4266 5.4266 5.6948 5.6948 5.7029 5.7029 5.7419 5.7419 6.0340 6.0340 6.0989 6.0989 6.1287 6.1287 6.2216 6.2216 6.2443 6.2443 6.2937 6.2937 7.0127 7.0127 7.5351 7.5351 7.6476 7.6476 7.6712 7.6712 9.4327 9.4327 9.6173 9.6173 11.5721 11.5721 12.0933 12.0933 13.2694 13.2694 k = 0.5000 0.2887 0.0399 ( 4762 PWs) bands (ev): -26.2274 -26.2274 -26.2210 -26.2210 -9.1317 -9.1317 -9.1124 -9.1124 -8.0620 -8.0620 -8.0490 -8.0490 -7.9549 -7.9549 -7.9023 -7.9023 -1.5417 -1.5417 -1.2894 -1.2894 3.6847 3.6847 4.4799 4.4799 5.4212 5.4212 5.6945 5.6945 5.7051 5.7051 5.7442 5.7442 6.0324 6.0324 6.0995 6.0995 6.1272 6.1272 6.2217 6.2217 6.2441 6.2441 6.2945 6.2945 7.0067 7.0067 7.5420 7.5420 7.6383 7.6383 7.6665 7.6665 9.4334 9.4334 9.6111 9.6111 11.6000 11.6000 12.2160 12.2160 13.1467 13.1467 k = 0.5000 0.2887 0.0266 ( 4754 PWs) bands (ev): -26.2274 -26.2274 -26.2210 -26.2210 -9.1319 -9.1319 -9.1123 -9.1123 -8.0624 -8.0624 -8.0492 -8.0492 -7.9549 -7.9549 -7.9014 -7.9014 -1.5438 -1.5438 -1.2872 -1.2872 3.6791 3.6791 4.4898 4.4898 5.4172 5.4172 5.6942 5.6942 5.7066 5.7066 5.7460 5.7460 6.0312 6.0312 6.1000 6.1000 6.1260 6.1260 6.2216 6.2216 6.2440 6.2440 6.2950 6.2950 7.0024 7.0024 7.5470 7.5470 7.6315 7.6315 7.6631 7.6631 9.4342 9.4342 9.6065 9.6065 11.6204 11.6204 12.3320 12.3320 13.0304 13.0304 k = 0.5000 0.2887 0.0133 ( 4756 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1123 -9.1123 -8.0627 -8.0627 -8.0493 -8.0493 -7.9549 -7.9549 -7.9010 -7.9010 -1.5451 -1.5451 -1.2858 -1.2858 3.6757 3.6757 4.4958 4.4958 5.4148 5.4148 5.6941 5.6941 5.7074 5.7074 5.7472 5.7472 6.0305 6.0305 6.1003 6.1003 6.1254 6.1254 6.2215 6.2215 6.2440 6.2440 6.2953 6.2953 6.9998 6.9998 7.5500 7.5500 7.6273 7.6273 7.6611 7.6611 9.4347 9.4347 9.6037 9.6037 11.6329 11.6329 12.4274 12.4274 12.9346 12.9346 k = 0.5000 0.2887-0.0000 ( 4760 PWs) bands (ev): -26.2275 -26.2275 -26.2209 -26.2209 -9.1321 -9.1321 -9.1122 -9.1122 -8.0628 -8.0628 -8.0493 -8.0493 -7.9549 -7.9549 -7.9008 -7.9008 -1.5456 -1.5456 -1.2854 -1.2854 3.6746 3.6746 4.4978 4.4978 5.4140 5.4140 5.6940 5.6940 5.7077 5.7077 5.7476 5.7476 6.0302 6.0302 6.1003 6.1003 6.1251 6.1251 6.2215 6.2215 6.2439 6.2439 6.2954 6.2954 6.9989 6.9989 7.5510 7.5510 7.6259 7.6259 7.6604 7.6604 9.4349 9.4349 9.6028 9.6028 11.6371 11.6371 12.4689 12.4689 12.8930 12.8930 k = 0.3333 0.5774-0.0000 ( 4725 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1342 -9.1342 -9.1173 -9.1173 -8.0533 -8.0533 -8.0276 -8.0276 -8.0029 -8.0029 -7.9272 -7.9272 -1.3401 -1.3401 -1.3275 -1.3275 4.2224 4.2224 4.2775 4.2775 5.1065 5.1065 5.5735 5.5735 5.6273 5.6273 5.8796 5.8796 5.9559 5.9559 6.0620 6.0620 6.1133 6.1133 6.1999 6.1999 6.2587 6.2587 6.3058 6.3058 6.3696 6.3696 6.5262 6.5262 7.7487 7.7487 7.7625 7.7625 10.4138 10.4138 10.4374 10.4374 11.9101 11.9101 11.9747 11.9747 12.8949 12.8949 k = 0.3333 0.5774 0.0133 ( 4725 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1341 -9.1341 -9.1173 -9.1173 -8.0532 -8.0532 -8.0274 -8.0274 -8.0030 -8.0030 -7.9274 -7.9274 -1.3401 -1.3401 -1.3274 -1.3274 4.2224 4.2224 4.2775 4.2775 5.1080 5.1080 5.5733 5.5733 5.6270 5.6270 5.8795 5.8795 5.9554 5.9554 6.0619 6.0619 6.1133 6.1133 6.1998 6.1998 6.2585 6.2585 6.3044 6.3044 6.3698 6.3698 6.5261 6.5261 7.7497 7.7497 7.7636 7.7636 10.4088 10.4088 10.4323 10.4323 11.9168 11.9168 11.9814 11.9814 12.8967 12.8967 k = 0.3333 0.5774 0.0266 ( 4710 PWs) bands (ev): -26.2260 -26.2260 -26.2196 -26.2196 -9.1340 -9.1340 -9.1174 -9.1174 -8.0529 -8.0529 -8.0270 -8.0270 -8.0032 -8.0032 -7.9280 -7.9280 -1.3401 -1.3401 -1.3274 -1.3274 4.2224 4.2224 4.2776 4.2776 5.1125 5.1125 5.5729 5.5729 5.6264 5.6264 5.8790 5.8790 5.9542 5.9542 6.0617 6.0617 6.1133 6.1133 6.1998 6.1998 6.2578 6.2578 6.3007 6.3007 6.3706 6.3706 6.5261 6.5261 7.7527 7.7527 7.7668 7.7668 10.3939 10.3939 10.4176 10.4176 11.9366 11.9366 12.0012 12.0012 12.9021 12.9021 k = 0.3333 0.5774 0.0399 ( 4719 PWs) bands (ev): -26.2259 -26.2259 -26.2197 -26.2197 -9.1338 -9.1338 -9.1175 -9.1175 -8.0525 -8.0525 -8.0262 -8.0262 -8.0036 -8.0036 -7.9289 -7.9289 -1.3400 -1.3400 -1.3274 -1.3274 4.2225 4.2225 4.2777 4.2777 5.1200 5.1200 5.5721 5.5721 5.6253 5.6253 5.8780 5.8780 5.9520 5.9520 6.0612 6.0612 6.1131 6.1131 6.1995 6.1995 6.2562 6.2562 6.2950 6.2950 6.3716 6.3716 6.5259 6.5259 7.7576 7.7576 7.7720 7.7720 10.3701 10.3701 10.3941 10.3941 11.9685 11.9685 12.0332 12.0332 12.9111 12.9111 k = 0.3333 0.5774 0.0532 ( 4725 PWs) bands (ev): -26.2259 -26.2259 -26.2198 -26.2198 -9.1336 -9.1336 -9.1176 -9.1176 -8.0520 -8.0520 -8.0251 -8.0251 -8.0042 -8.0042 -7.9302 -7.9302 -1.3400 -1.3400 -1.3273 -1.3273 4.2227 4.2227 4.2778 4.2778 5.1304 5.1304 5.5710 5.5710 5.6239 5.6239 5.8766 5.8766 5.9487 5.9487 6.0607 6.0607 6.1130 6.1130 6.1992 6.1992 6.2534 6.2534 6.2885 6.2885 6.3727 6.3727 6.5258 6.5258 7.7643 7.7643 7.7793 7.7793 10.3387 10.3387 10.3633 10.3633 12.0112 12.0112 12.0761 12.0761 12.9237 12.9237 k = 0.3333 0.5774 0.0665 ( 4722 PWs) bands (ev): -26.2258 -26.2258 -26.2199 -26.2199 -9.1333 -9.1333 -9.1177 -9.1177 -8.0513 -8.0513 -8.0238 -8.0238 -8.0049 -8.0049 -7.9318 -7.9318 -1.3399 -1.3399 -1.3272 -1.3272 4.2228 4.2228 4.2779 4.2779 5.1436 5.1436 5.5697 5.5697 5.6221 5.6221 5.8746 5.8746 5.9445 5.9445 6.0601 6.0601 6.1127 6.1127 6.1988 6.1988 6.2484 6.2484 6.2823 6.2823 6.3738 6.3738 6.5256 6.5256 7.7727 7.7727 7.7883 7.7883 10.3013 10.3013 10.3266 10.3266 12.0632 12.0632 12.1284 12.1284 12.9397 12.9397 k = 0.3333 0.5774 0.0798 ( 4728 PWs) bands (ev): -26.2256 -26.2256 -26.2200 -26.2200 -9.1329 -9.1329 -9.1179 -9.1179 -8.0504 -8.0504 -8.0221 -8.0221 -8.0058 -8.0058 -7.9338 -7.9338 -1.3399 -1.3399 -1.3271 -1.3271 4.2230 4.2230 4.2781 4.2781 5.1597 5.1597 5.5681 5.5681 5.6200 5.6200 5.8718 5.8718 5.9390 5.9390 6.0594 6.0594 6.1123 6.1123 6.1984 6.1984 6.2408 6.2408 6.2777 6.2777 6.3748 6.3748 6.5253 6.5253 7.7826 7.7826 7.7989 7.7989 10.2595 10.2595 10.2857 10.2857 12.1229 12.1229 12.1886 12.1886 12.9593 12.9593 k = 0.3333 0.5774 0.0931 ( 4743 PWs) bands (ev): -26.2255 -26.2255 -26.2201 -26.2201 -9.1325 -9.1325 -9.1182 -9.1182 -8.0495 -8.0495 -8.0202 -8.0202 -8.0068 -8.0068 -7.9361 -7.9361 -1.3398 -1.3398 -1.3270 -1.3270 4.2232 4.2232 4.2783 4.2783 5.1785 5.1785 5.5663 5.5663 5.6176 5.6176 5.8677 5.8677 5.9324 5.9324 6.0586 6.0586 6.1117 6.1117 6.1979 6.1979 6.2310 6.2310 6.2747 6.2747 6.3756 6.3756 6.5250 6.5250 7.7937 7.7937 7.8110 7.8110 10.2148 10.2148 10.2422 10.2422 12.1889 12.1889 12.2553 12.2553 12.9823 12.9823 k = 0.3333 0.5774 0.1064 ( 4752 PWs) bands (ev): -26.2254 -26.2254 -26.2203 -26.2203 -9.1320 -9.1320 -9.1184 -9.1184 -8.0484 -8.0484 -8.0180 -8.0180 -8.0079 -8.0079 -7.9387 -7.9387 -1.3397 -1.3397 -1.3269 -1.3269 4.2234 4.2234 4.2785 4.2785 5.1999 5.1999 5.5644 5.5644 5.6151 5.6151 5.8616 5.8616 5.9251 5.9251 6.0579 6.0579 6.1108 6.1108 6.1975 6.1975 6.2199 6.2199 6.2729 6.2729 6.3762 6.3762 6.5247 6.5247 7.8059 7.8059 7.8241 7.8241 10.1686 10.1686 10.1973 10.1973 12.2598 12.2598 12.3271 12.3271 13.0087 13.0087 k = 0.3333 0.5774 0.1197 ( 4758 PWs) bands (ev): -26.2252 -26.2252 -26.2204 -26.2204 -9.1315 -9.1315 -9.1187 -9.1187 -8.0471 -8.0471 -8.0155 -8.0155 -8.0092 -8.0092 -7.9416 -7.9416 -1.3396 -1.3396 -1.3268 -1.3268 4.2236 4.2236 4.2787 4.2787 5.2237 5.2237 5.5625 5.5625 5.6125 5.6125 5.8528 5.8528 5.9178 5.9178 6.0573 6.0573 6.1098 6.1098 6.1970 6.1970 6.2087 6.2087 6.2719 6.2719 6.3767 6.3767 6.5244 6.5244 7.8187 7.8187 7.8380 7.8380 10.1221 10.1221 10.1524 10.1524 12.3345 12.3345 12.4029 12.4029 13.0384 13.0384 k = 0.3333 0.5774 0.1330 ( 4752 PWs) bands (ev): -26.2250 -26.2250 -26.2206 -26.2206 -9.1310 -9.1310 -9.1190 -9.1190 -8.0458 -8.0458 -8.0128 -8.0128 -8.0105 -8.0105 -7.9448 -7.9448 -1.3396 -1.3396 -1.3267 -1.3267 4.2238 4.2238 4.2790 4.2790 5.2499 5.2499 5.5606 5.5606 5.6099 5.6099 5.8401 5.8401 5.9112 5.9112 6.0569 6.0569 6.1086 6.1086 6.1966 6.1966 6.1982 6.1982 6.2713 6.2713 6.3771 6.3771 6.5241 6.5241 7.8320 7.8320 7.8524 7.8524 10.0766 10.0766 10.1085 10.1085 12.4118 12.4118 12.4817 12.4817 13.0713 13.0713 k = 0.3333 0.5774 0.1463 ( 4758 PWs) bands (ev): -26.2248 -26.2248 -26.2208 -26.2208 -9.1304 -9.1304 -9.1194 -9.1194 -8.0444 -8.0444 -8.0120 -8.0120 -8.0098 -8.0098 -7.9481 -7.9481 -1.3395 -1.3395 -1.3265 -1.3265 4.2240 4.2240 4.2792 4.2792 5.2781 5.2781 5.5586 5.5586 5.6073 5.6073 5.8229 5.8229 5.9058 5.9058 6.0565 6.0565 6.1071 6.1071 6.1887 6.1887 6.1961 6.1961 6.2710 6.2710 6.3774 6.3774 6.5238 6.5238 7.8453 7.8453 7.8669 7.8669 10.0330 10.0330 10.0666 10.0666 12.4909 12.4909 12.5624 12.5624 13.1072 13.1072 k = 0.3333 0.5774 0.1597 ( 4758 PWs) bands (ev): -26.2246 -26.2246 -26.2210 -26.2210 -9.1298 -9.1298 -9.1197 -9.1197 -8.0429 -8.0429 -8.0135 -8.0135 -8.0067 -8.0067 -7.9517 -7.9517 -1.3394 -1.3394 -1.3264 -1.3264 4.2242 4.2242 4.2794 4.2794 5.3083 5.3083 5.5568 5.5568 5.6048 5.6048 5.8013 5.8013 5.9018 5.9018 6.0562 6.0562 6.1054 6.1054 6.1807 6.1807 6.1957 6.1957 6.2708 6.2708 6.3776 6.3776 6.5235 6.5235 7.8582 7.8582 7.8811 7.8811 9.9922 9.9922 10.0275 10.0275 12.5707 12.5707 12.6442 12.6442 13.1459 13.1459 k = 0.3333 0.5774 0.1730 ( 4743 PWs) bands (ev): -26.2244 -26.2244 -26.2213 -26.2213 -9.1292 -9.1292 -9.1201 -9.1201 -8.0413 -8.0413 -8.0151 -8.0151 -8.0033 -8.0033 -7.9554 -7.9554 -1.3393 -1.3393 -1.3263 -1.3263 4.2244 4.2244 4.2796 4.2796 5.3402 5.3402 5.5551 5.5551 5.6026 5.6026 5.7758 5.7758 5.8989 5.8989 6.0561 6.0561 6.1037 6.1037 6.1742 6.1742 6.1953 6.1953 6.2707 6.2707 6.3779 6.3779 6.5233 6.5233 7.8704 7.8704 7.8945 7.8945 9.9551 9.9551 9.9920 9.9920 12.6501 12.6501 12.7261 12.7261 13.1873 13.1873 k = 0.3333 0.5774 0.1863 ( 4752 PWs) bands (ev): -26.2241 -26.2241 -26.2215 -26.2215 -9.1286 -9.1286 -9.1205 -9.1205 -8.0398 -8.0398 -8.0166 -8.0166 -7.9997 -7.9997 -7.9593 -7.9593 -1.3393 -1.3393 -1.3262 -1.3262 4.2246 4.2246 4.2798 4.2798 5.3735 5.3735 5.5536 5.5536 5.6006 5.6006 5.7471 5.7471 5.8967 5.8967 6.0561 6.0561 6.1019 6.1019 6.1690 6.1690 6.1950 6.1950 6.2707 6.2707 6.3780 6.3780 6.5231 6.5231 7.8816 7.8816 7.9068 7.9068 9.9222 9.9222 9.9607 9.9607 12.7276 12.7276 12.8068 12.8068 13.2309 13.2309 k = 0.3333 0.5774 0.1996 ( 4740 PWs) bands (ev): -26.2239 -26.2239 -26.2218 -26.2218 -9.1281 -9.1281 -9.1209 -9.1209 -8.0382 -8.0382 -8.0182 -8.0182 -7.9960 -7.9960 -7.9633 -7.9633 -1.3392 -1.3392 -1.3261 -1.3261 4.2247 4.2247 4.2799 4.2799 5.4078 5.4078 5.5523 5.5523 5.5989 5.5989 5.7160 5.7160 5.8952 5.8952 6.0561 6.0561 6.1003 6.1003 6.1652 6.1652 6.1947 6.1947 6.2707 6.2707 6.3781 6.3781 6.5229 6.5229 7.8913 7.8913 7.9175 7.9175 9.8945 9.8945 9.9343 9.9343 12.8014 12.8014 12.8846 12.8846 13.2764 13.2764 k = 0.3333 0.5774 0.2129 ( 4743 PWs) bands (ev): -26.2236 -26.2236 -26.2220 -26.2220 -9.1276 -9.1276 -9.1213 -9.1213 -8.0368 -8.0368 -8.0197 -8.0197 -7.9922 -7.9922 -7.9673 -7.9673 -1.3391 -1.3391 -1.3261 -1.3261 4.2249 4.2249 4.2801 4.2801 5.4424 5.4424 5.5513 5.5513 5.5975 5.5975 5.6834 5.6834 5.8942 5.8942 6.0561 6.0561 6.0990 6.0990 6.1624 6.1624 6.1945 6.1945 6.2707 6.2707 6.3781 6.3781 6.5227 6.5227 7.8992 7.8992 7.9263 7.9263 9.8722 9.8722 9.9132 9.9132 12.8685 12.8685 12.9568 12.9568 13.3231 13.3231 k = 0.3333 0.5774 0.2262 ( 4752 PWs) bands (ev): -26.2233 -26.2233 -26.2223 -26.2223 -9.1272 -9.1272 -9.1216 -9.1216 -8.0355 -8.0355 -8.0209 -8.0209 -7.9883 -7.9883 -7.9714 -7.9714 -1.3391 -1.3391 -1.3260 -1.3260 4.2250 4.2250 4.2802 4.2802 5.4761 5.4761 5.5505 5.5505 5.5964 5.5964 5.6509 5.6509 5.8934 5.8934 6.0562 6.0562 6.0979 6.0979 6.1605 6.1605 6.1942 6.1942 6.2706 6.2706 6.3781 6.3781 6.5226 6.5226 7.9051 7.9051 7.9328 7.9328 9.8560 9.8560 9.8978 9.8978 12.9244 12.9244 13.0188 13.0188 13.3702 13.3702 k = 0.3333 0.5774 0.2395 ( 4746 PWs) bands (ev): -26.2231 -26.2231 -26.2225 -26.2225 -9.1269 -9.1269 -9.1218 -9.1218 -8.0346 -8.0346 -8.0218 -8.0218 -7.9844 -7.9844 -7.9754 -7.9754 -1.3391 -1.3391 -1.3260 -1.3260 4.2250 4.2250 4.2802 4.2802 5.5057 5.5057 5.5500 5.5500 5.5959 5.5959 5.6221 5.6221 5.8931 5.8931 6.0562 6.0562 6.0973 6.0973 6.1595 6.1595 6.1941 6.1941 6.2706 6.2706 6.3782 6.3782 6.5225 6.5225 7.9087 7.9087 7.9368 7.9368 9.8461 9.8461 9.8884 9.8884 12.9628 12.9628 13.0628 13.0628 13.4165 13.4165 k = 0.3333 0.5774 0.2528 ( 4746 PWs) bands (ev): -26.2228 -26.2228 -26.2228 -26.2228 -9.1268 -9.1268 -9.1219 -9.1219 -8.0343 -8.0343 -8.0221 -8.0221 -7.9818 -7.9818 -7.9781 -7.9781 -1.3391 -1.3391 -1.3260 -1.3260 4.2250 4.2250 4.2802 4.2802 5.5198 5.5198 5.5499 5.5499 5.5957 5.5957 5.6080 5.6080 5.8929 5.8929 6.0562 6.0562 6.0971 6.0971 6.1592 6.1592 6.1941 6.1941 6.2706 6.2706 6.3782 6.3782 6.5225 6.5225 7.9099 7.9099 7.9382 7.9382 9.8428 9.8428 9.8853 9.8853 12.9766 12.9766 13.0792 13.0792 13.4550 13.4550 Writing output data file SrCuAs.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 180.36s CPU 183.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 180.35s CPU 183.11s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.09s WALL ( 302 calls) cegterg : 162.03s CPU 164.11s WALL ( 391 calls) Called by sum_band: Called by *egterg: h_psi : 76.87s CPU 78.26s WALL ( 6693 calls) s_psi : 6.66s CPU 6.63s WALL ( 6693 calls) g_psi : 0.29s CPU 0.29s WALL ( 6000 calls) cdiaghg : 68.15s CPU 68.77s WALL ( 6302 calls) cegterg:over : 8.02s CPU 8.27s WALL ( 6000 calls) cegterg:upda : 7.14s CPU 7.19s WALL ( 6000 calls) cegterg:last : 3.57s CPU 3.56s WALL ( 1000 calls) cdiaghg:chol : 3.93s CPU 3.88s WALL ( 6302 calls) cdiaghg:inve : 2.90s CPU 2.86s WALL ( 6302 calls) cdiaghg:para : 4.94s CPU 4.81s WALL ( 12604 calls) Called by h_psi: h_psi:vloc : 61.57s CPU 62.77s WALL ( 6693 calls) h_psi:vnl : 14.98s CPU 15.18s WALL ( 6693 calls) add_vuspsi : 7.92s CPU 7.90s WALL ( 6693 calls) General routines calbec : 7.05s CPU 7.27s WALL ( 6693 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.12s CPU 58.20s WALL ( 839604 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.30s WALL ( 604 calls) Parallel routines fft_scatter : 23.96s CPU 24.14s WALL ( 839627 calls) PWSCF : 3m19.62s CPU 3m34.09s WALL This run was terminated on: 13: 2:36 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=