Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 2:43 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: ./PtO.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 32 14 4 1440 402 72 Max 33 15 5 1447 426 79 Sum 1177 505 161 51939 14877 2633 bravais-lattice index = 14 lattice parameter (alat) = 5.8160 a.u. unit-cell volume = 341.3425 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.816010 celldm(2)= 1.000000 celldm(3)= 1.735062 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.735062 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.576348 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pt 10.00 195.08400 Pt( 1.00) 16 Sym. Ops., with inversion, found ( 8 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8675309 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8675309 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8675309 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8675309 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8675309 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8675309 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8675309 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8675309 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 453 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 2) = ( 0.0000000 0.0096154 -0.0000000), wk = 0.0022075 k( 3) = ( 0.0000000 0.0192308 -0.0000000), wk = 0.0022075 k( 4) = ( 0.0000000 0.0288462 -0.0000000), wk = 0.0022075 k( 5) = ( 0.0000000 0.0384615 -0.0000000), wk = 0.0022075 k( 6) = ( 0.0000000 0.0480769 -0.0000000), wk = 0.0022075 k( 7) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0022075 k( 8) = ( 0.0000000 0.0673077 -0.0000000), wk = 0.0022075 k( 9) = ( 0.0000000 0.0769231 -0.0000000), wk = 0.0022075 k( 10) = ( 0.0000000 0.0865385 -0.0000000), wk = 0.0022075 k( 11) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0022075 k( 12) = ( 0.0000000 0.1057692 -0.0000000), wk = 0.0022075 k( 13) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0022075 k( 14) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0022075 k( 15) = ( 0.0000000 0.1346154 -0.0000000), wk = 0.0022075 k( 16) = ( 0.0000000 0.1442308 -0.0000000), wk = 0.0022075 k( 17) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0022075 k( 18) = ( 0.0000000 0.1634615 -0.0000000), wk = 0.0022075 k( 19) = ( 0.0000000 0.1730769 -0.0000000), wk = 0.0022075 k( 20) = ( 0.0000000 0.1826923 -0.0000000), wk = 0.0022075 k( 21) = ( 0.0000000 0.1923077 -0.0000000), wk = 0.0022075 k( 22) = ( 0.0000000 0.2019231 -0.0000000), wk = 0.0022075 k( 23) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0022075 k( 24) = ( 0.0000000 0.2211539 -0.0000000), wk = 0.0022075 k( 25) = ( 0.0000000 0.2307692 -0.0000000), wk = 0.0022075 k( 26) = ( 0.0000000 0.2403846 -0.0000000), wk = 0.0022075 k( 27) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022075 k( 28) = ( 0.0000000 0.2596154 -0.0000000), wk = 0.0022075 k( 29) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0022075 k( 30) = ( 0.0000000 0.2788462 -0.0000000), wk = 0.0022075 k( 31) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0022075 k( 32) = ( 0.0000000 0.2980769 -0.0000000), wk = 0.0022075 k( 33) = ( 0.0000000 0.3076923 -0.0000000), wk = 0.0022075 k( 34) = ( 0.0000000 0.3173077 -0.0000000), wk = 0.0022075 k( 35) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0022075 k( 36) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0022075 k( 37) = ( 0.0000000 0.3461538 -0.0000000), wk = 0.0022075 k( 38) = ( 0.0000000 0.3557692 -0.0000000), wk = 0.0022075 k( 39) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0022075 k( 40) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0022075 k( 41) = ( 0.0000000 0.3846154 -0.0000000), wk = 0.0022075 k( 42) = ( 0.0000000 0.3942308 -0.0000000), wk = 0.0022075 k( 43) = ( 0.0000000 0.4038462 -0.0000000), wk = 0.0022075 k( 44) = ( 0.0000000 0.4134615 -0.0000000), wk = 0.0022075 k( 45) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0022075 k( 46) = ( 0.0000000 0.4326923 -0.0000000), wk = 0.0022075 k( 47) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0022075 k( 48) = ( 0.0000000 0.4519231 -0.0000000), wk = 0.0022075 k( 49) = ( 0.0000000 0.4615385 -0.0000000), wk = 0.0022075 k( 50) = ( 0.0000000 0.4711538 -0.0000000), wk = 0.0022075 k( 51) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0022075 k( 52) = ( 0.0000000 0.4903846 -0.0000000), wk = 0.0022075 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 55) = ( 0.0096154 0.5000000 -0.0000000), wk = 0.0022075 k( 56) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0022075 k( 57) = ( 0.0288462 0.5000000 -0.0000000), wk = 0.0022075 k( 58) = ( 0.0384615 0.5000000 -0.0000000), wk = 0.0022075 k( 59) = ( 0.0480769 0.5000000 -0.0000000), wk = 0.0022075 k( 60) = ( 0.0576923 0.5000000 -0.0000000), wk = 0.0022075 k( 61) = ( 0.0673077 0.5000000 -0.0000000), wk = 0.0022075 k( 62) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0022075 k( 63) = ( 0.0865385 0.5000000 -0.0000000), wk = 0.0022075 k( 64) = ( 0.0961538 0.5000000 -0.0000000), wk = 0.0022075 k( 65) = ( 0.1057692 0.5000000 -0.0000000), wk = 0.0022075 k( 66) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0022075 k( 67) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0022075 k( 68) = ( 0.1346154 0.5000000 -0.0000000), wk = 0.0022075 k( 69) = ( 0.1442308 0.5000000 -0.0000000), wk = 0.0022075 k( 70) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0022075 k( 71) = ( 0.1634615 0.5000000 -0.0000000), wk = 0.0022075 k( 72) = ( 0.1730769 0.5000000 -0.0000000), wk = 0.0022075 k( 73) = ( 0.1826923 0.5000000 -0.0000000), wk = 0.0022075 k( 74) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0022075 k( 75) = ( 0.2019231 0.5000000 -0.0000000), wk = 0.0022075 k( 76) = ( 0.2115385 0.5000000 -0.0000000), wk = 0.0022075 k( 77) = ( 0.2211539 0.5000000 -0.0000000), wk = 0.0022075 k( 78) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0022075 k( 79) = ( 0.2403846 0.5000000 -0.0000000), wk = 0.0022075 k( 80) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0022075 k( 81) = ( 0.2596154 0.5000000 -0.0000000), wk = 0.0022075 k( 82) = ( 0.2692308 0.5000000 -0.0000000), wk = 0.0022075 k( 83) = ( 0.2788462 0.5000000 -0.0000000), wk = 0.0022075 k( 84) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0022075 k( 85) = ( 0.2980769 0.5000000 -0.0000000), wk = 0.0022075 k( 86) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0022075 k( 87) = ( 0.3173077 0.5000000 -0.0000000), wk = 0.0022075 k( 88) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0022075 k( 89) = ( 0.3365385 0.5000000 -0.0000000), wk = 0.0022075 k( 90) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0022075 k( 91) = ( 0.3557692 0.5000000 -0.0000000), wk = 0.0022075 k( 92) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0022075 k( 93) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022075 k( 94) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0022075 k( 95) = ( 0.3942308 0.5000000 -0.0000000), wk = 0.0022075 k( 96) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0022075 k( 97) = ( 0.4134615 0.5000000 -0.0000000), wk = 0.0022075 k( 98) = ( 0.4230769 0.5000000 -0.0000000), wk = 0.0022075 k( 99) = ( 0.4326923 0.5000000 -0.0000000), wk = 0.0022075 k( 100) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0022075 k( 101) = ( 0.4519231 0.5000000 -0.0000000), wk = 0.0022075 k( 102) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0022075 k( 103) = ( 0.4711538 0.5000000 -0.0000000), wk = 0.0022075 k( 104) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0022075 k( 105) = ( 0.4903846 0.5000000 -0.0000000), wk = 0.0022075 k( 106) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022075 k( 107) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022075 k( 108) = ( 0.4931507 0.4931507 -0.0000000), wk = 0.0022075 k( 109) = ( 0.4863014 0.4863014 -0.0000000), wk = 0.0022075 k( 110) = ( 0.4794521 0.4794520 -0.0000000), wk = 0.0022075 k( 111) = ( 0.4726027 0.4726027 -0.0000000), wk = 0.0022075 k( 112) = ( 0.4657534 0.4657534 -0.0000000), wk = 0.0022075 k( 113) = ( 0.4589041 0.4589041 -0.0000000), wk = 0.0022075 k( 114) = ( 0.4520548 0.4520548 -0.0000000), wk = 0.0022075 k( 115) = ( 0.4452055 0.4452055 -0.0000000), wk = 0.0022075 k( 116) = ( 0.4383562 0.4383562 -0.0000000), wk = 0.0022075 k( 117) = ( 0.4315068 0.4315068 -0.0000000), wk = 0.0022075 k( 118) = ( 0.4246575 0.4246575 -0.0000000), wk = 0.0022075 k( 119) = ( 0.4178082 0.4178082 -0.0000000), wk = 0.0022075 k( 120) = ( 0.4109589 0.4109589 -0.0000000), wk = 0.0022075 k( 121) = ( 0.4041096 0.4041096 -0.0000000), wk = 0.0022075 k( 122) = ( 0.3972603 0.3972603 -0.0000000), wk = 0.0022075 k( 123) = ( 0.3904110 0.3904110 -0.0000000), wk = 0.0022075 k( 124) = ( 0.3835616 0.3835616 -0.0000000), wk = 0.0022075 k( 125) = ( 0.3767123 0.3767123 -0.0000000), wk = 0.0022075 k( 126) = ( 0.3698630 0.3698630 -0.0000000), wk = 0.0022075 k( 127) = ( 0.3630137 0.3630137 -0.0000000), wk = 0.0022075 k( 128) = ( 0.3561644 0.3561644 -0.0000000), wk = 0.0022075 k( 129) = ( 0.3493151 0.3493151 -0.0000000), wk = 0.0022075 k( 130) = ( 0.3424658 0.3424657 -0.0000000), wk = 0.0022075 k( 131) = ( 0.3356164 0.3356164 -0.0000000), wk = 0.0022075 k( 132) = ( 0.3287671 0.3287671 -0.0000000), wk = 0.0022075 k( 133) = ( 0.3219178 0.3219178 -0.0000000), wk = 0.0022075 k( 134) = ( 0.3150685 0.3150685 -0.0000000), wk = 0.0022075 k( 135) = ( 0.3082192 0.3082192 -0.0000000), wk = 0.0022075 k( 136) = ( 0.3013699 0.3013699 -0.0000000), wk = 0.0022075 k( 137) = ( 0.2945205 0.2945205 -0.0000000), wk = 0.0022075 k( 138) = ( 0.2876712 0.2876712 -0.0000000), wk = 0.0022075 k( 139) = ( 0.2808219 0.2808219 -0.0000000), wk = 0.0022075 k( 140) = ( 0.2739726 0.2739726 -0.0000000), wk = 0.0022075 k( 141) = ( 0.2671233 0.2671233 -0.0000000), wk = 0.0022075 k( 142) = ( 0.2602740 0.2602740 -0.0000000), wk = 0.0022075 k( 143) = ( 0.2534247 0.2534247 -0.0000000), wk = 0.0022075 k( 144) = ( 0.2465753 0.2465753 -0.0000000), wk = 0.0022075 k( 145) = ( 0.2397260 0.2397260 -0.0000000), wk = 0.0022075 k( 146) = ( 0.2328767 0.2328767 -0.0000000), wk = 0.0022075 k( 147) = ( 0.2260274 0.2260274 -0.0000000), wk = 0.0022075 k( 148) = ( 0.2191781 0.2191781 -0.0000000), wk = 0.0022075 k( 149) = ( 0.2123288 0.2123288 -0.0000000), wk = 0.0022075 k( 150) = ( 0.2054795 0.2054794 -0.0000000), wk = 0.0022075 k( 151) = ( 0.1986301 0.1986301 -0.0000000), wk = 0.0022075 k( 152) = ( 0.1917808 0.1917808 -0.0000000), wk = 0.0022075 k( 153) = ( 0.1849315 0.1849315 -0.0000000), wk = 0.0022075 k( 154) = ( 0.1780822 0.1780822 -0.0000000), wk = 0.0022075 k( 155) = ( 0.1712329 0.1712329 -0.0000000), wk = 0.0022075 k( 156) = ( 0.1643836 0.1643836 -0.0000000), wk = 0.0022075 k( 157) = ( 0.1575342 0.1575342 -0.0000000), wk = 0.0022075 k( 158) = ( 0.1506849 0.1506849 -0.0000000), wk = 0.0022075 k( 159) = ( 0.1438356 0.1438356 -0.0000000), wk = 0.0022075 k( 160) = ( 0.1369863 0.1369863 -0.0000000), wk = 0.0022075 k( 161) = ( 0.1301370 0.1301370 -0.0000000), wk = 0.0022075 k( 162) = ( 0.1232877 0.1232877 -0.0000000), wk = 0.0022075 k( 163) = ( 0.1164384 0.1164384 -0.0000000), wk = 0.0022075 k( 164) = ( 0.1095890 0.1095890 -0.0000000), wk = 0.0022075 k( 165) = ( 0.1027397 0.1027397 -0.0000000), wk = 0.0022075 k( 166) = ( 0.0958904 0.0958904 -0.0000000), wk = 0.0022075 k( 167) = ( 0.0890411 0.0890411 -0.0000000), wk = 0.0022075 k( 168) = ( 0.0821918 0.0821918 -0.0000000), wk = 0.0022075 k( 169) = ( 0.0753425 0.0753425 -0.0000000), wk = 0.0022075 k( 170) = ( 0.0684932 0.0684932 -0.0000000), wk = 0.0022075 k( 171) = ( 0.0616438 0.0616438 -0.0000000), wk = 0.0022075 k( 172) = ( 0.0547945 0.0547945 -0.0000000), wk = 0.0022075 k( 173) = ( 0.0479452 0.0479452 -0.0000000), wk = 0.0022075 k( 174) = ( 0.0410959 0.0410959 -0.0000000), wk = 0.0022075 k( 175) = ( 0.0342466 0.0342466 -0.0000000), wk = 0.0022075 k( 176) = ( 0.0273973 0.0273973 -0.0000000), wk = 0.0022075 k( 177) = ( 0.0205479 0.0205479 -0.0000000), wk = 0.0022075 k( 178) = ( 0.0136986 0.0136986 -0.0000000), wk = 0.0022075 k( 179) = ( 0.0068493 0.0068493 -0.0000000), wk = 0.0022075 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 182) = ( 0.0000000 0.0000000 0.0096058), wk = 0.0022075 k( 183) = ( 0.0000000 0.0000000 0.0192116), wk = 0.0022075 k( 184) = ( 0.0000000 0.0000000 0.0288174), wk = 0.0022075 k( 185) = ( 0.0000000 0.0000000 0.0384232), wk = 0.0022075 k( 186) = ( 0.0000000 0.0000000 0.0480290), wk = 0.0022075 k( 187) = ( 0.0000000 0.0000000 0.0576348), wk = 0.0022075 k( 188) = ( 0.0000000 0.0000000 0.0672406), wk = 0.0022075 k( 189) = ( 0.0000000 0.0000000 0.0768464), wk = 0.0022075 k( 190) = ( 0.0000000 0.0000000 0.0864522), wk = 0.0022075 k( 191) = ( 0.0000000 0.0000000 0.0960581), wk = 0.0022075 k( 192) = ( 0.0000000 0.0000000 0.1056639), wk = 0.0022075 k( 193) = ( 0.0000000 0.0000000 0.1152697), wk = 0.0022075 k( 194) = ( 0.0000000 0.0000000 0.1248755), wk = 0.0022075 k( 195) = ( 0.0000000 0.0000000 0.1344813), wk = 0.0022075 k( 196) = ( 0.0000000 0.0000000 0.1440871), wk = 0.0022075 k( 197) = ( 0.0000000 0.0000000 0.1536929), wk = 0.0022075 k( 198) = ( 0.0000000 0.0000000 0.1632987), wk = 0.0022075 k( 199) = ( 0.0000000 0.0000000 0.1729045), wk = 0.0022075 k( 200) = ( 0.0000000 0.0000000 0.1825103), wk = 0.0022075 k( 201) = ( 0.0000000 0.0000000 0.1921161), wk = 0.0022075 k( 202) = ( 0.0000000 0.0000000 0.2017219), wk = 0.0022075 k( 203) = ( 0.0000000 0.0000000 0.2113277), wk = 0.0022075 k( 204) = ( 0.0000000 0.0000000 0.2209335), wk = 0.0022075 k( 205) = ( 0.0000000 0.0000000 0.2305393), wk = 0.0022075 k( 206) = ( 0.0000000 0.0000000 0.2401451), wk = 0.0022075 k( 207) = ( 0.0000000 0.0000000 0.2497509), wk = 0.0022075 k( 208) = ( 0.0000000 0.0000000 0.2593567), wk = 0.0022075 k( 209) = ( 0.0000000 0.0000000 0.2689625), wk = 0.0022075 k( 210) = ( 0.0000000 0.0000000 0.2785684), wk = 0.0022075 k( 211) = ( 0.0000000 0.0000000 0.2881742), wk = 0.0022075 k( 212) = ( 0.0000000 0.0000000 0.2881742), wk = 0.0022075 k( 213) = ( 0.0000000 0.0096154 0.2881742), wk = 0.0022075 k( 214) = ( 0.0000000 0.0192308 0.2881742), wk = 0.0022075 k( 215) = ( 0.0000000 0.0288462 0.2881742), wk = 0.0022075 k( 216) = ( 0.0000000 0.0384615 0.2881742), wk = 0.0022075 k( 217) = ( 0.0000000 0.0480769 0.2881742), wk = 0.0022075 k( 218) = ( 0.0000000 0.0576923 0.2881742), wk = 0.0022075 k( 219) = ( 0.0000000 0.0673077 0.2881742), wk = 0.0022075 k( 220) = ( 0.0000000 0.0769231 0.2881742), wk = 0.0022075 k( 221) = ( 0.0000000 0.0865385 0.2881742), wk = 0.0022075 k( 222) = ( 0.0000000 0.0961538 0.2881742), wk = 0.0022075 k( 223) = ( 0.0000000 0.1057692 0.2881742), wk = 0.0022075 k( 224) = ( 0.0000000 0.1153846 0.2881742), wk = 0.0022075 k( 225) = ( 0.0000000 0.1250000 0.2881742), wk = 0.0022075 k( 226) = ( 0.0000000 0.1346154 0.2881742), wk = 0.0022075 k( 227) = ( 0.0000000 0.1442308 0.2881742), wk = 0.0022075 k( 228) = ( 0.0000000 0.1538461 0.2881742), wk = 0.0022075 k( 229) = ( 0.0000000 0.1634615 0.2881742), wk = 0.0022075 k( 230) = ( 0.0000000 0.1730769 0.2881742), wk = 0.0022075 k( 231) = ( 0.0000000 0.1826923 0.2881742), wk = 0.0022075 k( 232) = ( 0.0000000 0.1923077 0.2881742), wk = 0.0022075 k( 233) = ( 0.0000000 0.2019231 0.2881742), wk = 0.0022075 k( 234) = ( 0.0000000 0.2115385 0.2881742), wk = 0.0022075 k( 235) = ( 0.0000000 0.2211539 0.2881742), wk = 0.0022075 k( 236) = ( 0.0000000 0.2307692 0.2881742), wk = 0.0022075 k( 237) = ( 0.0000000 0.2403846 0.2881742), wk = 0.0022075 k( 238) = ( 0.0000000 0.2500000 0.2881742), wk = 0.0022075 k( 239) = ( 0.0000000 0.2596154 0.2881742), wk = 0.0022075 k( 240) = ( 0.0000000 0.2692308 0.2881742), wk = 0.0022075 k( 241) = ( 0.0000000 0.2788462 0.2881742), wk = 0.0022075 k( 242) = ( 0.0000000 0.2884615 0.2881742), wk = 0.0022075 k( 243) = ( 0.0000000 0.2980769 0.2881742), wk = 0.0022075 k( 244) = ( 0.0000000 0.3076923 0.2881742), wk = 0.0022075 k( 245) = ( 0.0000000 0.3173077 0.2881742), wk = 0.0022075 k( 246) = ( 0.0000000 0.3269231 0.2881742), wk = 0.0022075 k( 247) = ( 0.0000000 0.3365385 0.2881742), wk = 0.0022075 k( 248) = ( 0.0000000 0.3461538 0.2881742), wk = 0.0022075 k( 249) = ( 0.0000000 0.3557692 0.2881742), wk = 0.0022075 k( 250) = ( 0.0000000 0.3653846 0.2881742), wk = 0.0022075 k( 251) = ( 0.0000000 0.3750000 0.2881742), wk = 0.0022075 k( 252) = ( 0.0000000 0.3846154 0.2881742), wk = 0.0022075 k( 253) = ( 0.0000000 0.3942308 0.2881742), wk = 0.0022075 k( 254) = ( 0.0000000 0.4038462 0.2881742), wk = 0.0022075 k( 255) = ( 0.0000000 0.4134615 0.2881742), wk = 0.0022075 k( 256) = ( 0.0000000 0.4230769 0.2881742), wk = 0.0022075 k( 257) = ( 0.0000000 0.4326923 0.2881742), wk = 0.0022075 k( 258) = ( 0.0000000 0.4423077 0.2881742), wk = 0.0022075 k( 259) = ( 0.0000000 0.4519231 0.2881742), wk = 0.0022075 k( 260) = ( 0.0000000 0.4615385 0.2881742), wk = 0.0022075 k( 261) = ( 0.0000000 0.4711538 0.2881742), wk = 0.0022075 k( 262) = ( 0.0000000 0.4807692 0.2881742), wk = 0.0022075 k( 263) = ( 0.0000000 0.4903846 0.2881742), wk = 0.0022075 k( 264) = ( 0.0000000 0.5000000 0.2881742), wk = 0.0022075 k( 265) = ( 0.0000000 0.5000000 0.2881742), wk = 0.0022075 k( 266) = ( 0.0096154 0.5000000 0.2881742), wk = 0.0022075 k( 267) = ( 0.0192308 0.5000000 0.2881742), wk = 0.0022075 k( 268) = ( 0.0288462 0.5000000 0.2881742), wk = 0.0022075 k( 269) = ( 0.0384615 0.5000000 0.2881742), wk = 0.0022075 k( 270) = ( 0.0480769 0.5000000 0.2881742), wk = 0.0022075 k( 271) = ( 0.0576923 0.5000000 0.2881742), wk = 0.0022075 k( 272) = ( 0.0673077 0.5000000 0.2881742), wk = 0.0022075 k( 273) = ( 0.0769231 0.5000000 0.2881742), wk = 0.0022075 k( 274) = ( 0.0865385 0.5000000 0.2881742), wk = 0.0022075 k( 275) = ( 0.0961538 0.5000000 0.2881742), wk = 0.0022075 k( 276) = ( 0.1057692 0.5000000 0.2881742), wk = 0.0022075 k( 277) = ( 0.1153846 0.5000000 0.2881742), wk = 0.0022075 k( 278) = ( 0.1250000 0.5000000 0.2881742), wk = 0.0022075 k( 279) = ( 0.1346154 0.5000000 0.2881742), wk = 0.0022075 k( 280) = ( 0.1442308 0.5000000 0.2881742), wk = 0.0022075 k( 281) = ( 0.1538461 0.5000000 0.2881742), wk = 0.0022075 k( 282) = ( 0.1634615 0.5000000 0.2881742), wk = 0.0022075 k( 283) = ( 0.1730769 0.5000000 0.2881742), wk = 0.0022075 k( 284) = ( 0.1826923 0.5000000 0.2881742), wk = 0.0022075 k( 285) = ( 0.1923077 0.5000000 0.2881742), wk = 0.0022075 k( 286) = ( 0.2019231 0.5000000 0.2881742), wk = 0.0022075 k( 287) = ( 0.2115385 0.5000000 0.2881742), wk = 0.0022075 k( 288) = ( 0.2211539 0.5000000 0.2881742), wk = 0.0022075 k( 289) = ( 0.2307692 0.5000000 0.2881742), wk = 0.0022075 k( 290) = ( 0.2403846 0.5000000 0.2881742), wk = 0.0022075 k( 291) = ( 0.2500000 0.5000000 0.2881742), wk = 0.0022075 k( 292) = ( 0.2596154 0.5000000 0.2881742), wk = 0.0022075 k( 293) = ( 0.2692308 0.5000000 0.2881742), wk = 0.0022075 k( 294) = ( 0.2788462 0.5000000 0.2881742), wk = 0.0022075 k( 295) = ( 0.2884615 0.5000000 0.2881742), wk = 0.0022075 k( 296) = ( 0.2980769 0.5000000 0.2881742), wk = 0.0022075 k( 297) = ( 0.3076923 0.5000000 0.2881742), wk = 0.0022075 k( 298) = ( 0.3173077 0.5000000 0.2881742), wk = 0.0022075 k( 299) = ( 0.3269231 0.5000000 0.2881742), wk = 0.0022075 k( 300) = ( 0.3365385 0.5000000 0.2881742), wk = 0.0022075 k( 301) = ( 0.3461538 0.5000000 0.2881742), wk = 0.0022075 k( 302) = ( 0.3557692 0.5000000 0.2881742), wk = 0.0022075 k( 303) = ( 0.3653846 0.5000000 0.2881742), wk = 0.0022075 k( 304) = ( 0.3750000 0.5000000 0.2881742), wk = 0.0022075 k( 305) = ( 0.3846154 0.5000000 0.2881742), wk = 0.0022075 k( 306) = ( 0.3942308 0.5000000 0.2881742), wk = 0.0022075 k( 307) = ( 0.4038462 0.5000000 0.2881742), wk = 0.0022075 k( 308) = ( 0.4134615 0.5000000 0.2881742), wk = 0.0022075 k( 309) = ( 0.4230769 0.5000000 0.2881742), wk = 0.0022075 k( 310) = ( 0.4326923 0.5000000 0.2881742), wk = 0.0022075 k( 311) = ( 0.4423077 0.5000000 0.2881742), wk = 0.0022075 k( 312) = ( 0.4519231 0.5000000 0.2881742), wk = 0.0022075 k( 313) = ( 0.4615385 0.5000000 0.2881742), wk = 0.0022075 k( 314) = ( 0.4711538 0.5000000 0.2881742), wk = 0.0022075 k( 315) = ( 0.4807692 0.5000000 0.2881742), wk = 0.0022075 k( 316) = ( 0.4903846 0.5000000 0.2881742), wk = 0.0022075 k( 317) = ( 0.5000000 0.5000000 0.2881742), wk = 0.0022075 k( 318) = ( 0.5000000 0.5000000 0.2881742), wk = 0.0022075 k( 319) = ( 0.4931507 0.4931507 0.2881742), wk = 0.0022075 k( 320) = ( 0.4863014 0.4863014 0.2881742), wk = 0.0022075 k( 321) = ( 0.4794521 0.4794520 0.2881742), wk = 0.0022075 k( 322) = ( 0.4726027 0.4726027 0.2881742), wk = 0.0022075 k( 323) = ( 0.4657534 0.4657534 0.2881742), wk = 0.0022075 k( 324) = ( 0.4589041 0.4589041 0.2881742), wk = 0.0022075 k( 325) = ( 0.4520548 0.4520548 0.2881742), wk = 0.0022075 k( 326) = ( 0.4452055 0.4452055 0.2881742), wk = 0.0022075 k( 327) = ( 0.4383562 0.4383562 0.2881742), wk = 0.0022075 k( 328) = ( 0.4315068 0.4315068 0.2881742), wk = 0.0022075 k( 329) = ( 0.4246575 0.4246575 0.2881742), wk = 0.0022075 k( 330) = ( 0.4178082 0.4178082 0.2881742), wk = 0.0022075 k( 331) = ( 0.4109589 0.4109589 0.2881742), wk = 0.0022075 k( 332) = ( 0.4041096 0.4041096 0.2881742), wk = 0.0022075 k( 333) = ( 0.3972603 0.3972603 0.2881742), wk = 0.0022075 k( 334) = ( 0.3904110 0.3904110 0.2881742), wk = 0.0022075 k( 335) = ( 0.3835616 0.3835616 0.2881742), wk = 0.0022075 k( 336) = ( 0.3767123 0.3767123 0.2881742), wk = 0.0022075 k( 337) = ( 0.3698630 0.3698630 0.2881742), wk = 0.0022075 k( 338) = ( 0.3630137 0.3630137 0.2881742), wk = 0.0022075 k( 339) = ( 0.3561644 0.3561644 0.2881742), wk = 0.0022075 k( 340) = ( 0.3493151 0.3493151 0.2881742), wk = 0.0022075 k( 341) = ( 0.3424658 0.3424657 0.2881742), wk = 0.0022075 k( 342) = ( 0.3356164 0.3356164 0.2881742), wk = 0.0022075 k( 343) = ( 0.3287671 0.3287671 0.2881742), wk = 0.0022075 k( 344) = ( 0.3219178 0.3219178 0.2881742), wk = 0.0022075 k( 345) = ( 0.3150685 0.3150685 0.2881742), wk = 0.0022075 k( 346) = ( 0.3082192 0.3082192 0.2881742), wk = 0.0022075 k( 347) = ( 0.3013699 0.3013699 0.2881742), wk = 0.0022075 k( 348) = ( 0.2945205 0.2945205 0.2881742), wk = 0.0022075 k( 349) = ( 0.2876712 0.2876712 0.2881742), wk = 0.0022075 k( 350) = ( 0.2808219 0.2808219 0.2881742), wk = 0.0022075 k( 351) = ( 0.2739726 0.2739726 0.2881742), wk = 0.0022075 k( 352) = ( 0.2671233 0.2671233 0.2881742), wk = 0.0022075 k( 353) = ( 0.2602740 0.2602740 0.2881742), wk = 0.0022075 k( 354) = ( 0.2534247 0.2534247 0.2881742), wk = 0.0022075 k( 355) = ( 0.2465753 0.2465753 0.2881742), wk = 0.0022075 k( 356) = ( 0.2397260 0.2397260 0.2881742), wk = 0.0022075 k( 357) = ( 0.2328767 0.2328767 0.2881742), wk = 0.0022075 k( 358) = ( 0.2260274 0.2260274 0.2881742), wk = 0.0022075 k( 359) = ( 0.2191781 0.2191781 0.2881742), wk = 0.0022075 k( 360) = ( 0.2123288 0.2123288 0.2881742), wk = 0.0022075 k( 361) = ( 0.2054795 0.2054794 0.2881742), wk = 0.0022075 k( 362) = ( 0.1986301 0.1986301 0.2881742), wk = 0.0022075 k( 363) = ( 0.1917808 0.1917808 0.2881742), wk = 0.0022075 k( 364) = ( 0.1849315 0.1849315 0.2881742), wk = 0.0022075 k( 365) = ( 0.1780822 0.1780822 0.2881742), wk = 0.0022075 k( 366) = ( 0.1712329 0.1712329 0.2881742), wk = 0.0022075 k( 367) = ( 0.1643836 0.1643836 0.2881742), wk = 0.0022075 k( 368) = ( 0.1575342 0.1575342 0.2881742), wk = 0.0022075 k( 369) = ( 0.1506849 0.1506849 0.2881742), wk = 0.0022075 k( 370) = ( 0.1438356 0.1438356 0.2881742), wk = 0.0022075 k( 371) = ( 0.1369863 0.1369863 0.2881742), wk = 0.0022075 k( 372) = ( 0.1301370 0.1301370 0.2881742), wk = 0.0022075 k( 373) = ( 0.1232877 0.1232877 0.2881742), wk = 0.0022075 k( 374) = ( 0.1164384 0.1164384 0.2881742), wk = 0.0022075 k( 375) = ( 0.1095890 0.1095890 0.2881742), wk = 0.0022075 k( 376) = ( 0.1027397 0.1027397 0.2881742), wk = 0.0022075 k( 377) = ( 0.0958904 0.0958904 0.2881742), wk = 0.0022075 k( 378) = ( 0.0890411 0.0890411 0.2881742), wk = 0.0022075 k( 379) = ( 0.0821918 0.0821918 0.2881742), wk = 0.0022075 k( 380) = ( 0.0753425 0.0753425 0.2881742), wk = 0.0022075 k( 381) = ( 0.0684932 0.0684932 0.2881742), wk = 0.0022075 k( 382) = ( 0.0616438 0.0616438 0.2881742), wk = 0.0022075 k( 383) = ( 0.0547945 0.0547945 0.2881742), wk = 0.0022075 k( 384) = ( 0.0479452 0.0479452 0.2881742), wk = 0.0022075 k( 385) = ( 0.0410959 0.0410959 0.2881742), wk = 0.0022075 k( 386) = ( 0.0342466 0.0342466 0.2881742), wk = 0.0022075 k( 387) = ( 0.0273973 0.0273973 0.2881742), wk = 0.0022075 k( 388) = ( 0.0205479 0.0205479 0.2881742), wk = 0.0022075 k( 389) = ( 0.0136986 0.0136986 0.2881742), wk = 0.0022075 k( 390) = ( 0.0068493 0.0068493 0.2881742), wk = 0.0022075 k( 391) = ( 0.0000000 0.0000000 0.2881742), wk = 0.0022075 k( 392) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 393) = ( 0.0000000 0.5000000 0.0096058), wk = 0.0022075 k( 394) = ( 0.0000000 0.5000000 0.0192116), wk = 0.0022075 k( 395) = ( 0.0000000 0.5000000 0.0288174), wk = 0.0022075 k( 396) = ( 0.0000000 0.5000000 0.0384232), wk = 0.0022075 k( 397) = ( 0.0000000 0.5000000 0.0480290), wk = 0.0022075 k( 398) = ( 0.0000000 0.5000000 0.0576348), wk = 0.0022075 k( 399) = ( 0.0000000 0.5000000 0.0672406), wk = 0.0022075 k( 400) = ( 0.0000000 0.5000000 0.0768464), wk = 0.0022075 k( 401) = ( 0.0000000 0.5000000 0.0864522), wk = 0.0022075 k( 402) = ( 0.0000000 0.5000000 0.0960581), wk = 0.0022075 k( 403) = ( 0.0000000 0.5000000 0.1056639), wk = 0.0022075 k( 404) = ( 0.0000000 0.5000000 0.1152697), wk = 0.0022075 k( 405) = ( 0.0000000 0.5000000 0.1248755), wk = 0.0022075 k( 406) = ( 0.0000000 0.5000000 0.1344813), wk = 0.0022075 k( 407) = ( 0.0000000 0.5000000 0.1440871), wk = 0.0022075 k( 408) = ( 0.0000000 0.5000000 0.1536929), wk = 0.0022075 k( 409) = ( 0.0000000 0.5000000 0.1632987), wk = 0.0022075 k( 410) = ( 0.0000000 0.5000000 0.1729045), wk = 0.0022075 k( 411) = ( 0.0000000 0.5000000 0.1825103), wk = 0.0022075 k( 412) = ( 0.0000000 0.5000000 0.1921161), wk = 0.0022075 k( 413) = ( 0.0000000 0.5000000 0.2017219), wk = 0.0022075 k( 414) = ( 0.0000000 0.5000000 0.2113277), wk = 0.0022075 k( 415) = ( 0.0000000 0.5000000 0.2209335), wk = 0.0022075 k( 416) = ( 0.0000000 0.5000000 0.2305393), wk = 0.0022075 k( 417) = ( 0.0000000 0.5000000 0.2401451), wk = 0.0022075 k( 418) = ( 0.0000000 0.5000000 0.2497509), wk = 0.0022075 k( 419) = ( 0.0000000 0.5000000 0.2593567), wk = 0.0022075 k( 420) = ( 0.0000000 0.5000000 0.2689625), wk = 0.0022075 k( 421) = ( 0.0000000 0.5000000 0.2785684), wk = 0.0022075 k( 422) = ( 0.0000000 0.5000000 0.2881742), wk = 0.0022075 k( 423) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0022075 k( 424) = ( 0.5000000 0.5000000 0.0096058), wk = 0.0022075 k( 425) = ( 0.5000000 0.5000000 0.0192116), wk = 0.0022075 k( 426) = ( 0.5000000 0.5000000 0.0288174), wk = 0.0022075 k( 427) = ( 0.5000000 0.5000000 0.0384232), wk = 0.0022075 k( 428) = ( 0.5000000 0.5000000 0.0480290), wk = 0.0022075 k( 429) = ( 0.5000000 0.5000000 0.0576348), wk = 0.0022075 k( 430) = ( 0.5000000 0.5000000 0.0672406), wk = 0.0022075 k( 431) = ( 0.5000000 0.5000000 0.0768464), wk = 0.0022075 k( 432) = ( 0.5000000 0.5000000 0.0864522), wk = 0.0022075 k( 433) = ( 0.5000000 0.5000000 0.0960581), wk = 0.0022075 k( 434) = ( 0.5000000 0.5000000 0.1056639), wk = 0.0022075 k( 435) = ( 0.5000000 0.5000000 0.1152697), wk = 0.0022075 k( 436) = ( 0.5000000 0.5000000 0.1248755), wk = 0.0022075 k( 437) = ( 0.5000000 0.5000000 0.1344813), wk = 0.0022075 k( 438) = ( 0.5000000 0.5000000 0.1440871), wk = 0.0022075 k( 439) = ( 0.5000000 0.5000000 0.1536929), wk = 0.0022075 k( 440) = ( 0.5000000 0.5000000 0.1632987), wk = 0.0022075 k( 441) = ( 0.5000000 0.5000000 0.1729045), wk = 0.0022075 k( 442) = ( 0.5000000 0.5000000 0.1825103), wk = 0.0022075 k( 443) = ( 0.5000000 0.5000000 0.1921161), wk = 0.0022075 k( 444) = ( 0.5000000 0.5000000 0.2017219), wk = 0.0022075 k( 445) = ( 0.5000000 0.5000000 0.2113277), wk = 0.0022075 k( 446) = ( 0.5000000 0.5000000 0.2209335), wk = 0.0022075 k( 447) = ( 0.5000000 0.5000000 0.2305393), wk = 0.0022075 k( 448) = ( 0.5000000 0.5000000 0.2401451), wk = 0.0022075 k( 449) = ( 0.5000000 0.5000000 0.2497509), wk = 0.0022075 k( 450) = ( 0.5000000 0.5000000 0.2593567), wk = 0.0022075 k( 451) = ( 0.5000000 0.5000000 0.2689625), wk = 0.0022075 k( 452) = ( 0.5000000 0.5000000 0.2785684), wk = 0.0022075 k( 453) = ( 0.5000000 0.5000000 0.2881742), wk = 0.0022075 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 2) = ( 0.0000000 0.0096154 0.0000000), wk = 0.0022075 k( 3) = ( 0.0000000 0.0192308 0.0000000), wk = 0.0022075 k( 4) = ( 0.0000000 0.0288462 -0.0000000), wk = 0.0022075 k( 5) = ( 0.0000000 0.0384615 0.0000000), wk = 0.0022075 k( 6) = ( 0.0000000 0.0480769 -0.0000000), wk = 0.0022075 k( 7) = ( 0.0000000 0.0576923 -0.0000000), wk = 0.0022075 k( 8) = ( 0.0000000 0.0673077 0.0000000), wk = 0.0022075 k( 9) = ( 0.0000000 0.0769231 0.0000000), wk = 0.0022075 k( 10) = ( 0.0000000 0.0865385 0.0000000), wk = 0.0022075 k( 11) = ( 0.0000000 0.0961538 -0.0000000), wk = 0.0022075 k( 12) = ( 0.0000000 0.1057692 -0.0000000), wk = 0.0022075 k( 13) = ( 0.0000000 0.1153846 -0.0000000), wk = 0.0022075 k( 14) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0022075 k( 15) = ( 0.0000000 0.1346154 0.0000000), wk = 0.0022075 k( 16) = ( 0.0000000 0.1442308 -0.0000000), wk = 0.0022075 k( 17) = ( 0.0000000 0.1538461 -0.0000000), wk = 0.0022075 k( 18) = ( 0.0000000 0.1634615 -0.0000000), wk = 0.0022075 k( 19) = ( 0.0000000 0.1730769 0.0000000), wk = 0.0022075 k( 20) = ( 0.0000000 0.1826923 -0.0000000), wk = 0.0022075 k( 21) = ( 0.0000000 0.1923077 0.0000000), wk = 0.0022075 k( 22) = ( 0.0000000 0.2019231 -0.0000000), wk = 0.0022075 k( 23) = ( 0.0000000 0.2115385 -0.0000000), wk = 0.0022075 k( 24) = ( 0.0000000 0.2211539 -0.0000000), wk = 0.0022075 k( 25) = ( 0.0000000 0.2307692 0.0000000), wk = 0.0022075 k( 26) = ( 0.0000000 0.2403846 0.0000000), wk = 0.0022075 k( 27) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0022075 k( 28) = ( 0.0000000 0.2596154 -0.0000000), wk = 0.0022075 k( 29) = ( 0.0000000 0.2692308 -0.0000000), wk = 0.0022075 k( 30) = ( 0.0000000 0.2788462 -0.0000000), wk = 0.0022075 k( 31) = ( 0.0000000 0.2884615 -0.0000000), wk = 0.0022075 k( 32) = ( 0.0000000 0.2980769 0.0000000), wk = 0.0022075 k( 33) = ( 0.0000000 0.3076923 0.0000000), wk = 0.0022075 k( 34) = ( 0.0000000 0.3173077 -0.0000000), wk = 0.0022075 k( 35) = ( 0.0000000 0.3269231 -0.0000000), wk = 0.0022075 k( 36) = ( 0.0000000 0.3365385 -0.0000000), wk = 0.0022075 k( 37) = ( 0.0000000 0.3461538 0.0000000), wk = 0.0022075 k( 38) = ( 0.0000000 0.3557692 0.0000000), wk = 0.0022075 k( 39) = ( 0.0000000 0.3653846 -0.0000000), wk = 0.0022075 k( 40) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0022075 k( 41) = ( 0.0000000 0.3846154 0.0000000), wk = 0.0022075 k( 42) = ( 0.0000000 0.3942308 -0.0000000), wk = 0.0022075 k( 43) = ( 0.0000000 0.4038462 0.0000000), wk = 0.0022075 k( 44) = ( 0.0000000 0.4134615 0.0000000), wk = 0.0022075 k( 45) = ( 0.0000000 0.4230769 -0.0000000), wk = 0.0022075 k( 46) = ( 0.0000000 0.4326923 -0.0000000), wk = 0.0022075 k( 47) = ( 0.0000000 0.4423077 -0.0000000), wk = 0.0022075 k( 48) = ( 0.0000000 0.4519231 0.0000000), wk = 0.0022075 k( 49) = ( 0.0000000 0.4615385 0.0000000), wk = 0.0022075 k( 50) = ( 0.0000000 0.4711538 -0.0000000), wk = 0.0022075 k( 51) = ( 0.0000000 0.4807692 -0.0000000), wk = 0.0022075 k( 52) = ( 0.0000000 0.4903846 -0.0000000), wk = 0.0022075 k( 53) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 54) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 55) = ( 0.0096154 0.5000000 -0.0000000), wk = 0.0022075 k( 56) = ( 0.0192308 0.5000000 -0.0000000), wk = 0.0022075 k( 57) = ( 0.0288462 0.5000000 -0.0000000), wk = 0.0022075 k( 58) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0022075 k( 59) = ( 0.0480769 0.5000000 0.0000000), wk = 0.0022075 k( 60) = ( 0.0576923 0.5000000 0.0000000), wk = 0.0022075 k( 61) = ( 0.0673077 0.5000000 0.0000000), wk = 0.0022075 k( 62) = ( 0.0769231 0.5000000 -0.0000000), wk = 0.0022075 k( 63) = ( 0.0865385 0.5000000 0.0000000), wk = 0.0022075 k( 64) = ( 0.0961538 0.5000000 0.0000000), wk = 0.0022075 k( 65) = ( 0.1057692 0.5000000 0.0000000), wk = 0.0022075 k( 66) = ( 0.1153846 0.5000000 -0.0000000), wk = 0.0022075 k( 67) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0022075 k( 68) = ( 0.1346154 0.5000000 0.0000000), wk = 0.0022075 k( 69) = ( 0.1442308 0.5000000 -0.0000000), wk = 0.0022075 k( 70) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0022075 k( 71) = ( 0.1634615 0.5000000 -0.0000000), wk = 0.0022075 k( 72) = ( 0.1730769 0.5000000 0.0000000), wk = 0.0022075 k( 73) = ( 0.1826923 0.5000000 -0.0000000), wk = 0.0022075 k( 74) = ( 0.1923077 0.5000000 -0.0000000), wk = 0.0022075 k( 75) = ( 0.2019231 0.5000000 0.0000000), wk = 0.0022075 k( 76) = ( 0.2115385 0.5000000 0.0000000), wk = 0.0022075 k( 77) = ( 0.2211539 0.5000000 0.0000000), wk = 0.0022075 k( 78) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0022075 k( 79) = ( 0.2403846 0.5000000 0.0000000), wk = 0.0022075 k( 80) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0022075 k( 81) = ( 0.2596154 0.5000000 -0.0000000), wk = 0.0022075 k( 82) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0022075 k( 83) = ( 0.2788462 0.5000000 0.0000000), wk = 0.0022075 k( 84) = ( 0.2884615 0.5000000 -0.0000000), wk = 0.0022075 k( 85) = ( 0.2980769 0.5000000 -0.0000000), wk = 0.0022075 k( 86) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0022075 k( 87) = ( 0.3173077 0.5000000 -0.0000000), wk = 0.0022075 k( 88) = ( 0.3269231 0.5000000 -0.0000000), wk = 0.0022075 k( 89) = ( 0.3365385 0.5000000 -0.0000000), wk = 0.0022075 k( 90) = ( 0.3461538 0.5000000 -0.0000000), wk = 0.0022075 k( 91) = ( 0.3557692 0.5000000 -0.0000000), wk = 0.0022075 k( 92) = ( 0.3653846 0.5000000 -0.0000000), wk = 0.0022075 k( 93) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0022075 k( 94) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0022075 k( 95) = ( 0.3942308 0.5000000 -0.0000000), wk = 0.0022075 k( 96) = ( 0.4038462 0.5000000 -0.0000000), wk = 0.0022075 k( 97) = ( 0.4134615 0.5000000 -0.0000000), wk = 0.0022075 k( 98) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0022075 k( 99) = ( 0.4326923 0.5000000 0.0000000), wk = 0.0022075 k( 100) = ( 0.4423077 0.5000000 -0.0000000), wk = 0.0022075 k( 101) = ( 0.4519231 0.5000000 -0.0000000), wk = 0.0022075 k( 102) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0022075 k( 103) = ( 0.4711538 0.5000000 -0.0000000), wk = 0.0022075 k( 104) = ( 0.4807692 0.5000000 -0.0000000), wk = 0.0022075 k( 105) = ( 0.4903846 0.5000000 0.0000000), wk = 0.0022075 k( 106) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 107) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 108) = ( 0.4931507 0.4931507 -0.0000000), wk = 0.0022075 k( 109) = ( 0.4863014 0.4863014 -0.0000000), wk = 0.0022075 k( 110) = ( 0.4794521 0.4794521 -0.0000000), wk = 0.0022075 k( 111) = ( 0.4726027 0.4726027 0.0000000), wk = 0.0022075 k( 112) = ( 0.4657534 0.4657534 -0.0000000), wk = 0.0022075 k( 113) = ( 0.4589041 0.4589041 -0.0000000), wk = 0.0022075 k( 114) = ( 0.4520548 0.4520548 0.0000000), wk = 0.0022075 k( 115) = ( 0.4452055 0.4452055 0.0000000), wk = 0.0022075 k( 116) = ( 0.4383562 0.4383562 -0.0000000), wk = 0.0022075 k( 117) = ( 0.4315068 0.4315068 0.0000000), wk = 0.0022075 k( 118) = ( 0.4246575 0.4246575 0.0000000), wk = 0.0022075 k( 119) = ( 0.4178082 0.4178082 -0.0000000), wk = 0.0022075 k( 120) = ( 0.4109589 0.4109589 -0.0000000), wk = 0.0022075 k( 121) = ( 0.4041096 0.4041096 -0.0000000), wk = 0.0022075 k( 122) = ( 0.3972603 0.3972603 0.0000000), wk = 0.0022075 k( 123) = ( 0.3904110 0.3904110 -0.0000000), wk = 0.0022075 k( 124) = ( 0.3835616 0.3835616 -0.0000000), wk = 0.0022075 k( 125) = ( 0.3767123 0.3767123 -0.0000000), wk = 0.0022075 k( 126) = ( 0.3698630 0.3698630 -0.0000000), wk = 0.0022075 k( 127) = ( 0.3630137 0.3630137 0.0000000), wk = 0.0022075 k( 128) = ( 0.3561644 0.3561644 -0.0000000), wk = 0.0022075 k( 129) = ( 0.3493151 0.3493151 -0.0000000), wk = 0.0022075 k( 130) = ( 0.3424658 0.3424658 -0.0000000), wk = 0.0022075 k( 131) = ( 0.3356164 0.3356164 0.0000000), wk = 0.0022075 k( 132) = ( 0.3287671 0.3287671 -0.0000000), wk = 0.0022075 k( 133) = ( 0.3219178 0.3219178 -0.0000000), wk = 0.0022075 k( 134) = ( 0.3150685 0.3150685 0.0000000), wk = 0.0022075 k( 135) = ( 0.3082192 0.3082192 0.0000000), wk = 0.0022075 k( 136) = ( 0.3013699 0.3013699 -0.0000000), wk = 0.0022075 k( 137) = ( 0.2945205 0.2945205 -0.0000000), wk = 0.0022075 k( 138) = ( 0.2876712 0.2876712 -0.0000000), wk = 0.0022075 k( 139) = ( 0.2808219 0.2808219 0.0000000), wk = 0.0022075 k( 140) = ( 0.2739726 0.2739726 0.0000000), wk = 0.0022075 k( 141) = ( 0.2671233 0.2671233 -0.0000000), wk = 0.0022075 k( 142) = ( 0.2602740 0.2602740 0.0000000), wk = 0.0022075 k( 143) = ( 0.2534247 0.2534247 0.0000000), wk = 0.0022075 k( 144) = ( 0.2465753 0.2465753 -0.0000000), wk = 0.0022075 k( 145) = ( 0.2397260 0.2397260 -0.0000000), wk = 0.0022075 k( 146) = ( 0.2328767 0.2328767 -0.0000000), wk = 0.0022075 k( 147) = ( 0.2260274 0.2260274 -0.0000000), wk = 0.0022075 k( 148) = ( 0.2191781 0.2191781 -0.0000000), wk = 0.0022075 k( 149) = ( 0.2123288 0.2123288 -0.0000000), wk = 0.0022075 k( 150) = ( 0.2054795 0.2054795 -0.0000000), wk = 0.0022075 k( 151) = ( 0.1986301 0.1986301 -0.0000000), wk = 0.0022075 k( 152) = ( 0.1917808 0.1917808 -0.0000000), wk = 0.0022075 k( 153) = ( 0.1849315 0.1849315 -0.0000000), wk = 0.0022075 k( 154) = ( 0.1780822 0.1780822 -0.0000000), wk = 0.0022075 k( 155) = ( 0.1712329 0.1712329 -0.0000000), wk = 0.0022075 k( 156) = ( 0.1643836 0.1643836 -0.0000000), wk = 0.0022075 k( 157) = ( 0.1575342 0.1575342 -0.0000000), wk = 0.0022075 k( 158) = ( 0.1506849 0.1506849 -0.0000000), wk = 0.0022075 k( 159) = ( 0.1438356 0.1438356 -0.0000000), wk = 0.0022075 k( 160) = ( 0.1369863 0.1369863 0.0000000), wk = 0.0022075 k( 161) = ( 0.1301370 0.1301370 0.0000000), wk = 0.0022075 k( 162) = ( 0.1232877 0.1232877 -0.0000000), wk = 0.0022075 k( 163) = ( 0.1164384 0.1164384 -0.0000000), wk = 0.0022075 k( 164) = ( 0.1095890 0.1095890 -0.0000000), wk = 0.0022075 k( 165) = ( 0.1027397 0.1027397 0.0000000), wk = 0.0022075 k( 166) = ( 0.0958904 0.0958904 -0.0000000), wk = 0.0022075 k( 167) = ( 0.0890411 0.0890411 -0.0000000), wk = 0.0022075 k( 168) = ( 0.0821918 0.0821918 -0.0000000), wk = 0.0022075 k( 169) = ( 0.0753425 0.0753425 -0.0000000), wk = 0.0022075 k( 170) = ( 0.0684932 0.0684932 0.0000000), wk = 0.0022075 k( 171) = ( 0.0616438 0.0616438 -0.0000000), wk = 0.0022075 k( 172) = ( 0.0547945 0.0547945 -0.0000000), wk = 0.0022075 k( 173) = ( 0.0479452 0.0479452 -0.0000000), wk = 0.0022075 k( 174) = ( 0.0410959 0.0410959 -0.0000000), wk = 0.0022075 k( 175) = ( 0.0342466 0.0342466 0.0000000), wk = 0.0022075 k( 176) = ( 0.0273973 0.0273973 -0.0000000), wk = 0.0022075 k( 177) = ( 0.0205479 0.0205479 -0.0000000), wk = 0.0022075 k( 178) = ( 0.0136986 0.0136986 -0.0000000), wk = 0.0022075 k( 179) = ( 0.0068493 0.0068493 -0.0000000), wk = 0.0022075 k( 180) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 181) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022075 k( 182) = ( 0.0000000 0.0000000 0.0166667), wk = 0.0022075 k( 183) = ( 0.0000000 0.0000000 0.0333333), wk = 0.0022075 k( 184) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0022075 k( 185) = ( 0.0000000 0.0000000 0.0666667), wk = 0.0022075 k( 186) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022075 k( 187) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0022075 k( 188) = ( 0.0000000 0.0000000 0.1166667), wk = 0.0022075 k( 189) = ( 0.0000000 0.0000000 0.1333333), wk = 0.0022075 k( 190) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0022075 k( 191) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022075 k( 192) = ( 0.0000000 0.0000000 0.1833333), wk = 0.0022075 k( 193) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0022075 k( 194) = ( 0.0000000 0.0000000 0.2166667), wk = 0.0022075 k( 195) = ( 0.0000000 0.0000000 0.2333333), wk = 0.0022075 k( 196) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022075 k( 197) = ( 0.0000000 0.0000000 0.2666667), wk = 0.0022075 k( 198) = ( 0.0000000 0.0000000 0.2833333), wk = 0.0022075 k( 199) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0022075 k( 200) = ( 0.0000000 0.0000000 0.3166667), wk = 0.0022075 k( 201) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022075 k( 202) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0022075 k( 203) = ( 0.0000000 0.0000000 0.3666667), wk = 0.0022075 k( 204) = ( 0.0000000 0.0000000 0.3833333), wk = 0.0022075 k( 205) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0022075 k( 206) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022075 k( 207) = ( 0.0000000 0.0000000 0.4333333), wk = 0.0022075 k( 208) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0022075 k( 209) = ( 0.0000000 0.0000000 0.4666667), wk = 0.0022075 k( 210) = ( 0.0000000 0.0000000 0.4833333), wk = 0.0022075 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022075 k( 212) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022075 k( 213) = ( 0.0000000 0.0096154 0.5000000), wk = 0.0022075 k( 214) = ( 0.0000000 0.0192308 0.5000000), wk = 0.0022075 k( 215) = ( 0.0000000 0.0288462 0.5000000), wk = 0.0022075 k( 216) = ( 0.0000000 0.0384615 0.5000000), wk = 0.0022075 k( 217) = ( 0.0000000 0.0480769 0.5000000), wk = 0.0022075 k( 218) = ( 0.0000000 0.0576923 0.5000000), wk = 0.0022075 k( 219) = ( 0.0000000 0.0673077 0.5000000), wk = 0.0022075 k( 220) = ( 0.0000000 0.0769231 0.5000000), wk = 0.0022075 k( 221) = ( 0.0000000 0.0865385 0.5000000), wk = 0.0022075 k( 222) = ( 0.0000000 0.0961538 0.5000000), wk = 0.0022075 k( 223) = ( 0.0000000 0.1057692 0.5000000), wk = 0.0022075 k( 224) = ( 0.0000000 0.1153846 0.5000000), wk = 0.0022075 k( 225) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0022075 k( 226) = ( 0.0000000 0.1346154 0.5000000), wk = 0.0022075 k( 227) = ( 0.0000000 0.1442308 0.5000000), wk = 0.0022075 k( 228) = ( 0.0000000 0.1538461 0.5000000), wk = 0.0022075 k( 229) = ( 0.0000000 0.1634615 0.5000000), wk = 0.0022075 k( 230) = ( 0.0000000 0.1730769 0.5000000), wk = 0.0022075 k( 231) = ( 0.0000000 0.1826923 0.5000000), wk = 0.0022075 k( 232) = ( 0.0000000 0.1923077 0.5000000), wk = 0.0022075 k( 233) = ( 0.0000000 0.2019231 0.5000000), wk = 0.0022075 k( 234) = ( 0.0000000 0.2115385 0.5000000), wk = 0.0022075 k( 235) = ( 0.0000000 0.2211539 0.5000000), wk = 0.0022075 k( 236) = ( 0.0000000 0.2307692 0.5000000), wk = 0.0022075 k( 237) = ( 0.0000000 0.2403846 0.5000000), wk = 0.0022075 k( 238) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022075 k( 239) = ( 0.0000000 0.2596154 0.5000000), wk = 0.0022075 k( 240) = ( 0.0000000 0.2692308 0.5000000), wk = 0.0022075 k( 241) = ( 0.0000000 0.2788462 0.5000000), wk = 0.0022075 k( 242) = ( 0.0000000 0.2884615 0.5000000), wk = 0.0022075 k( 243) = ( 0.0000000 0.2980769 0.5000000), wk = 0.0022075 k( 244) = ( 0.0000000 0.3076923 0.5000000), wk = 0.0022075 k( 245) = ( 0.0000000 0.3173077 0.5000000), wk = 0.0022075 k( 246) = ( 0.0000000 0.3269231 0.5000000), wk = 0.0022075 k( 247) = ( 0.0000000 0.3365385 0.5000000), wk = 0.0022075 k( 248) = ( 0.0000000 0.3461538 0.5000000), wk = 0.0022075 k( 249) = ( 0.0000000 0.3557692 0.5000000), wk = 0.0022075 k( 250) = ( 0.0000000 0.3653846 0.5000000), wk = 0.0022075 k( 251) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0022075 k( 252) = ( 0.0000000 0.3846154 0.5000000), wk = 0.0022075 k( 253) = ( 0.0000000 0.3942308 0.5000000), wk = 0.0022075 k( 254) = ( 0.0000000 0.4038462 0.5000000), wk = 0.0022075 k( 255) = ( 0.0000000 0.4134615 0.5000000), wk = 0.0022075 k( 256) = ( 0.0000000 0.4230769 0.5000000), wk = 0.0022075 k( 257) = ( 0.0000000 0.4326923 0.5000000), wk = 0.0022075 k( 258) = ( 0.0000000 0.4423077 0.5000000), wk = 0.0022075 k( 259) = ( 0.0000000 0.4519231 0.5000000), wk = 0.0022075 k( 260) = ( 0.0000000 0.4615385 0.5000000), wk = 0.0022075 k( 261) = ( 0.0000000 0.4711538 0.5000000), wk = 0.0022075 k( 262) = ( 0.0000000 0.4807692 0.5000000), wk = 0.0022075 k( 263) = ( 0.0000000 0.4903846 0.5000000), wk = 0.0022075 k( 264) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 265) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 266) = ( 0.0096154 0.5000000 0.5000000), wk = 0.0022075 k( 267) = ( 0.0192308 0.5000000 0.5000000), wk = 0.0022075 k( 268) = ( 0.0288462 0.5000000 0.5000000), wk = 0.0022075 k( 269) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0022075 k( 270) = ( 0.0480769 0.5000000 0.5000000), wk = 0.0022075 k( 271) = ( 0.0576923 0.5000000 0.5000000), wk = 0.0022075 k( 272) = ( 0.0673077 0.5000000 0.5000000), wk = 0.0022075 k( 273) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0022075 k( 274) = ( 0.0865385 0.5000000 0.5000000), wk = 0.0022075 k( 275) = ( 0.0961538 0.5000000 0.5000000), wk = 0.0022075 k( 276) = ( 0.1057692 0.5000000 0.5000000), wk = 0.0022075 k( 277) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0022075 k( 278) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0022075 k( 279) = ( 0.1346154 0.5000000 0.5000000), wk = 0.0022075 k( 280) = ( 0.1442308 0.5000000 0.5000000), wk = 0.0022075 k( 281) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0022075 k( 282) = ( 0.1634615 0.5000000 0.5000000), wk = 0.0022075 k( 283) = ( 0.1730769 0.5000000 0.5000000), wk = 0.0022075 k( 284) = ( 0.1826923 0.5000000 0.5000000), wk = 0.0022075 k( 285) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0022075 k( 286) = ( 0.2019231 0.5000000 0.5000000), wk = 0.0022075 k( 287) = ( 0.2115385 0.5000000 0.5000000), wk = 0.0022075 k( 288) = ( 0.2211539 0.5000000 0.5000000), wk = 0.0022075 k( 289) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0022075 k( 290) = ( 0.2403846 0.5000000 0.5000000), wk = 0.0022075 k( 291) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0022075 k( 292) = ( 0.2596154 0.5000000 0.5000000), wk = 0.0022075 k( 293) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0022075 k( 294) = ( 0.2788462 0.5000000 0.5000000), wk = 0.0022075 k( 295) = ( 0.2884615 0.5000000 0.5000000), wk = 0.0022075 k( 296) = ( 0.2980769 0.5000000 0.5000000), wk = 0.0022075 k( 297) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0022075 k( 298) = ( 0.3173077 0.5000000 0.5000000), wk = 0.0022075 k( 299) = ( 0.3269231 0.5000000 0.5000000), wk = 0.0022075 k( 300) = ( 0.3365385 0.5000000 0.5000000), wk = 0.0022075 k( 301) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0022075 k( 302) = ( 0.3557692 0.5000000 0.5000000), wk = 0.0022075 k( 303) = ( 0.3653846 0.5000000 0.5000000), wk = 0.0022075 k( 304) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0022075 k( 305) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0022075 k( 306) = ( 0.3942308 0.5000000 0.5000000), wk = 0.0022075 k( 307) = ( 0.4038462 0.5000000 0.5000000), wk = 0.0022075 k( 308) = ( 0.4134615 0.5000000 0.5000000), wk = 0.0022075 k( 309) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0022075 k( 310) = ( 0.4326923 0.5000000 0.5000000), wk = 0.0022075 k( 311) = ( 0.4423077 0.5000000 0.5000000), wk = 0.0022075 k( 312) = ( 0.4519231 0.5000000 0.5000000), wk = 0.0022075 k( 313) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0022075 k( 314) = ( 0.4711538 0.5000000 0.5000000), wk = 0.0022075 k( 315) = ( 0.4807692 0.5000000 0.5000000), wk = 0.0022075 k( 316) = ( 0.4903846 0.5000000 0.5000000), wk = 0.0022075 k( 317) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022075 k( 318) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022075 k( 319) = ( 0.4931507 0.4931507 0.5000000), wk = 0.0022075 k( 320) = ( 0.4863014 0.4863014 0.5000000), wk = 0.0022075 k( 321) = ( 0.4794521 0.4794521 0.5000000), wk = 0.0022075 k( 322) = ( 0.4726027 0.4726027 0.5000000), wk = 0.0022075 k( 323) = ( 0.4657534 0.4657534 0.5000000), wk = 0.0022075 k( 324) = ( 0.4589041 0.4589041 0.5000000), wk = 0.0022075 k( 325) = ( 0.4520548 0.4520548 0.5000000), wk = 0.0022075 k( 326) = ( 0.4452055 0.4452055 0.5000000), wk = 0.0022075 k( 327) = ( 0.4383562 0.4383562 0.5000000), wk = 0.0022075 k( 328) = ( 0.4315068 0.4315068 0.5000000), wk = 0.0022075 k( 329) = ( 0.4246575 0.4246575 0.5000000), wk = 0.0022075 k( 330) = ( 0.4178082 0.4178082 0.5000000), wk = 0.0022075 k( 331) = ( 0.4109589 0.4109589 0.5000000), wk = 0.0022075 k( 332) = ( 0.4041096 0.4041096 0.5000000), wk = 0.0022075 k( 333) = ( 0.3972603 0.3972603 0.5000000), wk = 0.0022075 k( 334) = ( 0.3904110 0.3904110 0.5000000), wk = 0.0022075 k( 335) = ( 0.3835616 0.3835616 0.5000000), wk = 0.0022075 k( 336) = ( 0.3767123 0.3767123 0.5000000), wk = 0.0022075 k( 337) = ( 0.3698630 0.3698630 0.5000000), wk = 0.0022075 k( 338) = ( 0.3630137 0.3630137 0.5000000), wk = 0.0022075 k( 339) = ( 0.3561644 0.3561644 0.5000000), wk = 0.0022075 k( 340) = ( 0.3493151 0.3493151 0.5000000), wk = 0.0022075 k( 341) = ( 0.3424658 0.3424658 0.5000000), wk = 0.0022075 k( 342) = ( 0.3356164 0.3356164 0.5000000), wk = 0.0022075 k( 343) = ( 0.3287671 0.3287671 0.5000000), wk = 0.0022075 k( 344) = ( 0.3219178 0.3219178 0.5000000), wk = 0.0022075 k( 345) = ( 0.3150685 0.3150685 0.5000000), wk = 0.0022075 k( 346) = ( 0.3082192 0.3082192 0.5000000), wk = 0.0022075 k( 347) = ( 0.3013699 0.3013699 0.5000000), wk = 0.0022075 k( 348) = ( 0.2945205 0.2945205 0.5000000), wk = 0.0022075 k( 349) = ( 0.2876712 0.2876712 0.5000000), wk = 0.0022075 k( 350) = ( 0.2808219 0.2808219 0.5000000), wk = 0.0022075 k( 351) = ( 0.2739726 0.2739726 0.5000000), wk = 0.0022075 k( 352) = ( 0.2671233 0.2671233 0.5000000), wk = 0.0022075 k( 353) = ( 0.2602740 0.2602740 0.5000000), wk = 0.0022075 k( 354) = ( 0.2534247 0.2534247 0.5000000), wk = 0.0022075 k( 355) = ( 0.2465753 0.2465753 0.5000000), wk = 0.0022075 k( 356) = ( 0.2397260 0.2397260 0.5000000), wk = 0.0022075 k( 357) = ( 0.2328767 0.2328767 0.5000000), wk = 0.0022075 k( 358) = ( 0.2260274 0.2260274 0.5000000), wk = 0.0022075 k( 359) = ( 0.2191781 0.2191781 0.5000000), wk = 0.0022075 k( 360) = ( 0.2123288 0.2123288 0.5000000), wk = 0.0022075 k( 361) = ( 0.2054795 0.2054795 0.5000000), wk = 0.0022075 k( 362) = ( 0.1986301 0.1986301 0.5000000), wk = 0.0022075 k( 363) = ( 0.1917808 0.1917808 0.5000000), wk = 0.0022075 k( 364) = ( 0.1849315 0.1849315 0.5000000), wk = 0.0022075 k( 365) = ( 0.1780822 0.1780822 0.5000000), wk = 0.0022075 k( 366) = ( 0.1712329 0.1712329 0.5000000), wk = 0.0022075 k( 367) = ( 0.1643836 0.1643836 0.5000000), wk = 0.0022075 k( 368) = ( 0.1575342 0.1575342 0.5000000), wk = 0.0022075 k( 369) = ( 0.1506849 0.1506849 0.5000000), wk = 0.0022075 k( 370) = ( 0.1438356 0.1438356 0.5000000), wk = 0.0022075 k( 371) = ( 0.1369863 0.1369863 0.5000000), wk = 0.0022075 k( 372) = ( 0.1301370 0.1301370 0.5000000), wk = 0.0022075 k( 373) = ( 0.1232877 0.1232877 0.5000000), wk = 0.0022075 k( 374) = ( 0.1164384 0.1164384 0.5000000), wk = 0.0022075 k( 375) = ( 0.1095890 0.1095890 0.5000000), wk = 0.0022075 k( 376) = ( 0.1027397 0.1027397 0.5000000), wk = 0.0022075 k( 377) = ( 0.0958904 0.0958904 0.5000000), wk = 0.0022075 k( 378) = ( 0.0890411 0.0890411 0.5000000), wk = 0.0022075 k( 379) = ( 0.0821918 0.0821918 0.5000000), wk = 0.0022075 k( 380) = ( 0.0753425 0.0753425 0.5000000), wk = 0.0022075 k( 381) = ( 0.0684932 0.0684932 0.5000000), wk = 0.0022075 k( 382) = ( 0.0616438 0.0616438 0.5000000), wk = 0.0022075 k( 383) = ( 0.0547945 0.0547945 0.5000000), wk = 0.0022075 k( 384) = ( 0.0479452 0.0479452 0.5000000), wk = 0.0022075 k( 385) = ( 0.0410959 0.0410959 0.5000000), wk = 0.0022075 k( 386) = ( 0.0342466 0.0342466 0.5000000), wk = 0.0022075 k( 387) = ( 0.0273973 0.0273973 0.5000000), wk = 0.0022075 k( 388) = ( 0.0205479 0.0205479 0.5000000), wk = 0.0022075 k( 389) = ( 0.0136986 0.0136986 0.5000000), wk = 0.0022075 k( 390) = ( 0.0068493 0.0068493 0.5000000), wk = 0.0022075 k( 391) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022075 k( 392) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0022075 k( 393) = ( 0.0000000 0.5000000 0.0166667), wk = 0.0022075 k( 394) = ( 0.0000000 0.5000000 0.0333333), wk = 0.0022075 k( 395) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0022075 k( 396) = ( 0.0000000 0.5000000 0.0666667), wk = 0.0022075 k( 397) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0022075 k( 398) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0022075 k( 399) = ( 0.0000000 0.5000000 0.1166667), wk = 0.0022075 k( 400) = ( 0.0000000 0.5000000 0.1333333), wk = 0.0022075 k( 401) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0022075 k( 402) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022075 k( 403) = ( 0.0000000 0.5000000 0.1833333), wk = 0.0022075 k( 404) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0022075 k( 405) = ( 0.0000000 0.5000000 0.2166667), wk = 0.0022075 k( 406) = ( 0.0000000 0.5000000 0.2333333), wk = 0.0022075 k( 407) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022075 k( 408) = ( 0.0000000 0.5000000 0.2666667), wk = 0.0022075 k( 409) = ( 0.0000000 0.5000000 0.2833333), wk = 0.0022075 k( 410) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0022075 k( 411) = ( 0.0000000 0.5000000 0.3166667), wk = 0.0022075 k( 412) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022075 k( 413) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0022075 k( 414) = ( 0.0000000 0.5000000 0.3666667), wk = 0.0022075 k( 415) = ( 0.0000000 0.5000000 0.3833333), wk = 0.0022075 k( 416) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0022075 k( 417) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0022075 k( 418) = ( 0.0000000 0.5000000 0.4333333), wk = 0.0022075 k( 419) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0022075 k( 420) = ( 0.0000000 0.5000000 0.4666667), wk = 0.0022075 k( 421) = ( 0.0000000 0.5000000 0.4833333), wk = 0.0022075 k( 422) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022075 k( 423) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022075 k( 424) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0022075 k( 425) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0022075 k( 426) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0022075 k( 427) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0022075 k( 428) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0022075 k( 429) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0022075 k( 430) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0022075 k( 431) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0022075 k( 432) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0022075 k( 433) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0022075 k( 434) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0022075 k( 435) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0022075 k( 436) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0022075 k( 437) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0022075 k( 438) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0022075 k( 439) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0022075 k( 440) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0022075 k( 441) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0022075 k( 442) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0022075 k( 443) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0022075 k( 444) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0022075 k( 445) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0022075 k( 446) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0022075 k( 447) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0022075 k( 448) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0022075 k( 449) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0022075 k( 450) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0022075 k( 451) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0022075 k( 452) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0022075 k( 453) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022075 Dense grid: 51939 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 14877 G-vectors FFT dimensions: ( 25, 25, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 112, 40) NL pseudopotentials 0.08 Mb ( 56, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1442) G-vector shells 0.01 Mb ( 727) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 112, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.12 Mb ( 96, 2, 40) The potential is recalculated from file : ./PtO.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.8 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.3 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.2 secs Computing kpt #: 8 total cpu time spent up to now is 3.4 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.9 secs Computing kpt #: 11 total cpu time spent up to now is 4.1 secs Computing kpt #: 12 total cpu time spent up to now is 4.4 secs Computing kpt #: 13 total cpu time spent up to now is 4.7 secs Computing kpt #: 14 total cpu time spent up to now is 5.0 secs Computing kpt #: 15 total cpu time spent up to now is 5.3 secs Computing kpt #: 16 total cpu time spent up to now is 5.6 secs Computing kpt #: 17 total cpu time spent up to now is 5.8 secs Computing kpt #: 18 total cpu time spent up to now is 6.1 secs Computing kpt #: 19 total cpu time spent up to now is 6.4 secs Computing kpt #: 20 total cpu time spent up to now is 6.8 secs Computing kpt #: 21 total cpu time spent up to now is 7.1 secs Computing kpt #: 22 total cpu time spent up to now is 7.5 secs Computing kpt #: 23 total cpu time spent up to now is 7.8 secs Computing kpt #: 24 total cpu time spent up to now is 8.2 secs Computing kpt #: 25 total cpu time spent up to now is 8.7 secs Computing kpt #: 26 total cpu time spent up to now is 9.0 secs Computing kpt #: 27 total cpu time spent up to now is 9.4 secs Computing kpt #: 28 total cpu time spent up to now is 9.7 secs Computing kpt #: 29 total cpu time spent up to now is 9.9 secs Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.8 secs Computing kpt #: 33 total cpu time spent up to now is 11.1 secs Computing kpt #: 34 total cpu time spent up to now is 11.4 secs Computing kpt #: 35 total cpu time spent up to now is 11.6 secs Computing kpt #: 36 total cpu time spent up to now is 11.9 secs Computing kpt #: 37 total cpu time spent up to now is 12.2 secs Computing kpt #: 38 total cpu time spent up to now is 12.5 secs Computing kpt #: 39 total cpu time spent up to now is 12.8 secs Computing kpt #: 40 total cpu time spent up to now is 13.1 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.6 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.5 secs Computing kpt #: 46 total cpu time spent up to now is 14.8 secs Computing kpt #: 47 total cpu time spent up to now is 15.1 secs Computing kpt #: 48 total cpu time spent up to now is 15.4 secs Computing kpt #: 49 total cpu time spent up to now is 15.7 secs Computing kpt #: 50 total cpu time spent up to now is 16.0 secs Computing kpt #: 51 total cpu time spent up to now is 16.3 secs Computing kpt #: 52 total cpu time spent up to now is 16.6 secs Computing kpt #: 53 total cpu time spent up to now is 16.9 secs Computing kpt #: 54 total cpu time spent up to now is 17.2 secs Computing kpt #: 55 total cpu time spent up to now is 17.5 secs Computing kpt #: 56 total cpu time spent up to now is 17.8 secs Computing kpt #: 57 total cpu time spent up to now is 18.1 secs Computing kpt #: 58 total cpu time spent up to now is 18.4 secs Computing kpt #: 59 total cpu time spent up to now is 18.7 secs Computing kpt #: 60 total cpu time spent up to now is 19.0 secs Computing kpt #: 61 total cpu time spent up to now is 19.3 secs Computing kpt #: 62 total cpu time spent up to now is 19.6 secs Computing kpt #: 63 total cpu time spent up to now is 19.9 secs Computing kpt #: 64 total cpu time spent up to now is 20.2 secs Computing kpt #: 65 total cpu time spent up to now is 20.5 secs Computing kpt #: 66 total cpu time spent up to now is 20.8 secs Computing kpt #: 67 total cpu time spent up to now is 21.1 secs Computing kpt #: 68 total cpu time spent up to now is 21.4 secs Computing kpt #: 69 total cpu time spent up to now is 21.7 secs Computing kpt #: 70 total cpu time spent up to now is 22.0 secs Computing kpt #: 71 total cpu time spent up to now is 22.3 secs Computing kpt #: 72 total cpu time spent up to now is 22.6 secs Computing kpt #: 73 total cpu time spent up to now is 22.9 secs Computing kpt #: 74 total cpu time spent up to now is 23.3 secs Computing kpt #: 75 total cpu time spent up to now is 23.7 secs Computing kpt #: 76 total cpu time spent up to now is 24.1 secs Computing kpt #: 77 total cpu time spent up to now is 24.5 secs Computing kpt #: 78 total cpu time spent up to now is 24.9 secs Computing kpt #: 79 total cpu time spent up to now is 25.3 secs Computing kpt #: 80 total cpu time spent up to now is 25.6 secs Computing kpt #: 81 total cpu time spent up to now is 26.0 secs Computing kpt #: 82 total cpu time spent up to now is 26.3 secs Computing kpt #: 83 total cpu time spent up to now is 26.7 secs Computing kpt #: 84 total cpu time spent up to now is 27.0 secs Computing kpt #: 85 total cpu time spent up to now is 27.3 secs Computing kpt #: 86 total cpu time spent up to now is 27.7 secs Computing kpt #: 87 total cpu time spent up to now is 28.0 secs Computing kpt #: 88 total cpu time spent up to now is 28.4 secs Computing kpt #: 89 total cpu time spent up to now is 28.7 secs Computing kpt #: 90 total cpu time spent up to now is 29.0 secs Computing kpt #: 91 total cpu time spent up to now is 29.4 secs Computing kpt #: 92 total cpu time spent up to now is 29.7 secs Computing kpt #: 93 total cpu time spent up to now is 30.0 secs Computing kpt #: 94 total cpu time spent up to now is 30.4 secs Computing kpt #: 95 total cpu time spent up to now is 30.7 secs Computing kpt #: 96 total cpu time spent up to now is 31.0 secs Computing kpt #: 97 total cpu time spent up to now is 31.3 secs Computing kpt #: 98 total cpu time spent up to now is 31.7 secs Computing kpt #: 99 total cpu time spent up to now is 32.0 secs Computing kpt #: 100 total cpu time spent up to now is 32.3 secs Computing kpt #: 101 total cpu time spent up to now is 32.7 secs Computing kpt #: 102 total cpu time spent up to now is 33.0 secs Computing kpt #: 103 total cpu time spent up to now is 33.3 secs Computing kpt #: 104 total cpu time spent up to now is 33.7 secs Computing kpt #: 105 total cpu time spent up to now is 34.0 secs Computing kpt #: 106 total cpu time spent up to now is 34.3 secs Computing kpt #: 107 total cpu time spent up to now is 34.6 secs Computing kpt #: 108 total cpu time spent up to now is 35.0 secs Computing kpt #: 109 total cpu time spent up to now is 35.3 secs Computing kpt #: 110 total cpu time spent up to now is 35.6 secs Computing kpt #: 111 total cpu time spent up to now is 36.0 secs Computing kpt #: 112 total cpu time spent up to now is 36.3 secs Computing kpt #: 113 total cpu time spent up to now is 36.6 secs Computing kpt #: 114 total cpu time spent up to now is 36.9 secs Computing kpt #: 115 total cpu time spent up to now is 37.2 secs Computing kpt #: 116 total cpu time spent up to now is 37.5 secs Computing kpt #: 117 total cpu time spent up to now is 37.8 secs Computing kpt #: 118 total cpu time spent up to now is 38.0 secs Computing kpt #: 119 total cpu time spent up to now is 38.3 secs Computing kpt #: 120 total cpu time spent up to now is 38.6 secs Computing kpt #: 121 total cpu time spent up to now is 38.9 secs Computing kpt #: 122 total cpu time spent up to now is 39.2 secs Computing kpt #: 123 total cpu time spent up to now is 39.5 secs Computing kpt #: 124 total cpu time spent up to now is 39.8 secs Computing kpt #: 125 total cpu time spent up to now is 40.0 secs Computing kpt #: 126 total cpu time spent up to now is 40.3 secs Computing kpt #: 127 total cpu time spent up to now is 40.6 secs Computing kpt #: 128 total cpu time spent up to now is 40.8 secs Computing kpt #: 129 total cpu time spent up to now is 41.1 secs Computing kpt #: 130 total cpu time spent up to now is 41.4 secs Computing kpt #: 131 total cpu time spent up to now is 41.6 secs Computing kpt #: 132 total cpu time spent up to now is 41.9 secs Computing kpt #: 133 total cpu time spent up to now is 42.2 secs Computing kpt #: 134 total cpu time spent up to now is 42.4 secs Computing kpt #: 135 total cpu time spent up to now is 42.7 secs Computing kpt #: 136 total cpu time spent up to now is 42.9 secs Computing kpt #: 137 total cpu time spent up to now is 43.2 secs Computing kpt #: 138 total cpu time spent up to now is 43.4 secs Computing kpt #: 139 total cpu time spent up to now is 43.7 secs Computing kpt #: 140 total cpu time spent up to now is 43.9 secs Computing kpt #: 141 total cpu time spent up to now is 44.2 secs Computing kpt #: 142 total cpu time spent up to now is 44.4 secs Computing kpt #: 143 total cpu time spent up to now is 44.7 secs Computing kpt #: 144 total cpu time spent up to now is 44.9 secs Computing kpt #: 145 total cpu time spent up to now is 45.2 secs Computing kpt #: 146 total cpu time spent up to now is 45.4 secs Computing kpt #: 147 total cpu time spent up to now is 45.7 secs Computing kpt #: 148 total cpu time spent up to now is 46.0 secs Computing kpt #: 149 total cpu time spent up to now is 46.2 secs Computing kpt #: 150 total cpu time spent up to now is 46.5 secs Computing kpt #: 151 total cpu time spent up to now is 46.8 secs Computing kpt #: 152 total cpu time spent up to now is 47.1 secs Computing kpt #: 153 total cpu time spent up to now is 47.4 secs Computing kpt #: 154 total cpu time spent up to now is 47.8 secs Computing kpt #: 155 total cpu time spent up to now is 48.2 secs Computing kpt #: 156 total cpu time spent up to now is 48.6 secs Computing kpt #: 157 total cpu time spent up to now is 49.0 secs Computing kpt #: 158 total cpu time spent up to now is 49.4 secs Computing kpt #: 159 total cpu time spent up to now is 49.8 secs Computing kpt #: 160 total cpu time spent up to now is 50.1 secs Computing kpt #: 161 total cpu time spent up to now is 50.4 secs Computing kpt #: 162 total cpu time spent up to now is 50.7 secs Computing kpt #: 163 total cpu time spent up to now is 51.0 secs Computing kpt #: 164 total cpu time spent up to now is 51.3 secs Computing kpt #: 165 total cpu time spent up to now is 51.6 secs Computing kpt #: 166 total cpu time spent up to now is 51.9 secs Computing kpt #: 167 total cpu time spent up to now is 52.1 secs Computing kpt #: 168 total cpu time spent up to now is 52.4 secs Computing kpt #: 169 total cpu time spent up to now is 52.7 secs Computing kpt #: 170 total cpu time spent up to now is 52.9 secs Computing kpt #: 171 total cpu time spent up to now is 53.2 secs Computing kpt #: 172 total cpu time spent up to now is 53.5 secs Computing kpt #: 173 total cpu time spent up to now is 53.7 secs Computing kpt #: 174 total cpu time spent up to now is 53.9 secs Computing kpt #: 175 total cpu time spent up to now is 54.2 secs Computing kpt #: 176 total cpu time spent up to now is 54.4 secs Computing kpt #: 177 total cpu time spent up to now is 54.6 secs Computing kpt #: 178 total cpu time spent up to now is 54.9 secs Computing kpt #: 179 total cpu time spent up to now is 55.1 secs Computing kpt #: 180 total cpu time spent up to now is 55.3 secs Computing kpt #: 181 total cpu time spent up to now is 55.6 secs Computing kpt #: 182 total cpu time spent up to now is 55.8 secs Computing kpt #: 183 total cpu time spent up to now is 56.1 secs Computing kpt #: 184 total cpu time spent up to now is 56.3 secs Computing kpt #: 185 total cpu time spent up to now is 56.6 secs Computing kpt #: 186 total cpu time spent up to now is 56.9 secs Computing kpt #: 187 total cpu time spent up to now is 57.1 secs Computing kpt #: 188 total cpu time spent up to now is 57.4 secs Computing kpt #: 189 total cpu time spent up to now is 57.7 secs Computing kpt #: 190 total cpu time spent up to now is 58.0 secs Computing kpt #: 191 total cpu time spent up to now is 58.3 secs Computing kpt #: 192 total cpu time spent up to now is 58.5 secs Computing kpt #: 193 total cpu time spent up to now is 58.8 secs Computing kpt #: 194 total cpu time spent up to now is 59.1 secs Computing kpt #: 195 total cpu time spent up to now is 59.3 secs Computing kpt #: 196 total cpu time spent up to now is 59.6 secs Computing kpt #: 197 total cpu time spent up to now is 59.8 secs Computing kpt #: 198 total cpu time spent up to now is 60.1 secs Computing kpt #: 199 total cpu time spent up to now is 60.3 secs Computing kpt #: 200 total cpu time spent up to now is 60.9 secs Computing kpt #: 201 total cpu time spent up to now is 61.2 secs Computing kpt #: 202 total cpu time spent up to now is 61.4 secs Computing kpt #: 203 total cpu time spent up to now is 61.6 secs Computing kpt #: 204 total cpu time spent up to now is 61.9 secs Computing kpt #: 205 total cpu time spent up to now is 62.1 secs Computing kpt #: 206 total cpu time spent up to now is 62.3 secs Computing kpt #: 207 total cpu time spent up to now is 62.5 secs Computing kpt #: 208 total cpu time spent up to now is 62.8 secs Computing kpt #: 209 total cpu time spent up to now is 63.0 secs Computing kpt #: 210 total cpu time spent up to now is 63.2 secs Computing kpt #: 211 total cpu time spent up to now is 63.5 secs Computing kpt #: 212 total cpu time spent up to now is 63.7 secs Computing kpt #: 213 total cpu time spent up to now is 63.9 secs Computing kpt #: 214 total cpu time spent up to now is 64.2 secs Computing kpt #: 215 total cpu time spent up to now is 64.4 secs Computing kpt #: 216 total cpu time spent up to now is 64.6 secs Computing kpt #: 217 total cpu time spent up to now is 64.8 secs Computing kpt #: 218 total cpu time spent up to now is 65.1 secs Computing kpt #: 219 total cpu time spent up to now is 65.3 secs Computing kpt #: 220 total cpu time spent up to now is 65.5 secs Computing kpt #: 221 total cpu time spent up to now is 65.7 secs Computing kpt #: 222 total cpu time spent up to now is 66.0 secs Computing kpt #: 223 total cpu time spent up to now is 66.2 secs Computing kpt #: 224 total cpu time spent up to now is 66.4 secs Computing kpt #: 225 total cpu time spent up to now is 66.6 secs Computing kpt #: 226 total cpu time spent up to now is 66.9 secs Computing kpt #: 227 total cpu time spent up to now is 67.1 secs Computing kpt #: 228 total cpu time spent up to now is 67.3 secs Computing kpt #: 229 total cpu time spent up to now is 67.5 secs Computing kpt #: 230 total cpu time spent up to now is 67.8 secs Computing kpt #: 231 total cpu time spent up to now is 68.0 secs Computing kpt #: 232 total cpu time spent up to now is 68.2 secs Computing kpt #: 233 total cpu time spent up to now is 68.4 secs Computing kpt #: 234 total cpu time spent up to now is 68.7 secs Computing kpt #: 235 total cpu time spent up to now is 68.9 secs Computing kpt #: 236 total cpu time spent up to now is 69.1 secs Computing kpt #: 237 total cpu time spent up to now is 69.3 secs Computing kpt #: 238 total cpu time spent up to now is 69.6 secs Computing kpt #: 239 total cpu time spent up to now is 69.8 secs Computing kpt #: 240 total cpu time spent up to now is 70.0 secs Computing kpt #: 241 total cpu time spent up to now is 70.3 secs Computing kpt #: 242 total cpu time spent up to now is 70.5 secs Computing kpt #: 243 total cpu time spent up to now is 70.7 secs Computing kpt #: 244 total cpu time spent up to now is 71.0 secs Computing kpt #: 245 total cpu time spent up to now is 71.2 secs Computing kpt #: 246 total cpu time spent up to now is 71.5 secs Computing kpt #: 247 total cpu time spent up to now is 71.7 secs Computing kpt #: 248 total cpu time spent up to now is 72.0 secs Computing kpt #: 249 total cpu time spent up to now is 72.2 secs Computing kpt #: 250 total cpu time spent up to now is 72.5 secs Computing kpt #: 251 total cpu time spent up to now is 72.7 secs Computing kpt #: 252 total cpu time spent up to now is 73.0 secs Computing kpt #: 253 total cpu time spent up to now is 73.3 secs Computing kpt #: 254 total cpu time spent up to now is 73.6 secs Computing kpt #: 255 total cpu time spent up to now is 73.8 secs Computing kpt #: 256 total cpu time spent up to now is 74.1 secs Computing kpt #: 257 total cpu time spent up to now is 74.4 secs Computing kpt #: 258 total cpu time spent up to now is 74.7 secs Computing kpt #: 259 total cpu time spent up to now is 75.0 secs Computing kpt #: 260 total cpu time spent up to now is 75.3 secs Computing kpt #: 261 total cpu time spent up to now is 75.7 secs Computing kpt #: 262 total cpu time spent up to now is 76.0 secs Computing kpt #: 263 total cpu time spent up to now is 76.4 secs Computing kpt #: 264 total cpu time spent up to now is 76.7 secs Computing kpt #: 265 total cpu time spent up to now is 77.0 secs Computing kpt #: 266 total cpu time spent up to now is 77.3 secs Computing kpt #: 267 total cpu time spent up to now is 77.6 secs Computing kpt #: 268 total cpu time spent up to now is 77.9 secs Computing kpt #: 269 total cpu time spent up to now is 78.2 secs Computing kpt #: 270 total cpu time spent up to now is 78.4 secs Computing kpt #: 271 total cpu time spent up to now is 78.7 secs Computing kpt #: 272 total cpu time spent up to now is 79.0 secs Computing kpt #: 273 total cpu time spent up to now is 79.2 secs Computing kpt #: 274 total cpu time spent up to now is 79.5 secs Computing kpt #: 275 total cpu time spent up to now is 79.8 secs Computing kpt #: 276 total cpu time spent up to now is 80.0 secs Computing kpt #: 277 total cpu time spent up to now is 80.3 secs Computing kpt #: 278 total cpu time spent up to now is 80.6 secs Computing kpt #: 279 total cpu time spent up to now is 80.8 secs Computing kpt #: 280 total cpu time spent up to now is 81.1 secs Computing kpt #: 281 total cpu time spent up to now is 81.4 secs Computing kpt #: 282 total cpu time spent up to now is 81.6 secs Computing kpt #: 283 total cpu time spent up to now is 81.8 secs Computing kpt #: 284 total cpu time spent up to now is 82.1 secs Computing kpt #: 285 total cpu time spent up to now is 82.3 secs Computing kpt #: 286 total cpu time spent up to now is 82.6 secs Computing kpt #: 287 total cpu time spent up to now is 82.8 secs Computing kpt #: 288 total cpu time spent up to now is 83.0 secs Computing kpt #: 289 total cpu time spent up to now is 83.3 secs Computing kpt #: 290 total cpu time spent up to now is 83.5 secs Computing kpt #: 291 total cpu time spent up to now is 83.7 secs Computing kpt #: 292 total cpu time spent up to now is 84.0 secs Computing kpt #: 293 total cpu time spent up to now is 84.2 secs Computing kpt #: 294 total cpu time spent up to now is 84.4 secs Computing kpt #: 295 total cpu time spent up to now is 84.7 secs Computing kpt #: 296 total cpu time spent up to now is 84.9 secs Computing kpt #: 297 total cpu time spent up to now is 85.1 secs Computing kpt #: 298 total cpu time spent up to now is 85.4 secs Computing kpt #: 299 total cpu time spent up to now is 85.6 secs Computing kpt #: 300 total cpu time spent up to now is 85.8 secs Computing kpt #: 301 total cpu time spent up to now is 86.1 secs Computing kpt #: 302 total cpu time spent up to now is 86.3 secs Computing kpt #: 303 total cpu time spent up to now is 86.5 secs Computing kpt #: 304 total cpu time spent up to now is 86.8 secs Computing kpt #: 305 total cpu time spent up to now is 87.0 secs Computing kpt #: 306 total cpu time spent up to now is 87.3 secs Computing kpt #: 307 total cpu time spent up to now is 87.5 secs Computing kpt #: 308 total cpu time spent up to now is 87.8 secs Computing kpt #: 309 total cpu time spent up to now is 88.0 secs Computing kpt #: 310 total cpu time spent up to now is 88.3 secs Computing kpt #: 311 total cpu time spent up to now is 88.5 secs Computing kpt #: 312 total cpu time spent up to now is 88.8 secs Computing kpt #: 313 total cpu time spent up to now is 89.0 secs Computing kpt #: 314 total cpu time spent up to now is 89.2 secs Computing kpt #: 315 total cpu time spent up to now is 89.5 secs Computing kpt #: 316 total cpu time spent up to now is 89.7 secs Computing kpt #: 317 total cpu time spent up to now is 90.0 secs Computing kpt #: 318 total cpu time spent up to now is 90.2 secs Computing kpt #: 319 total cpu time spent up to now is 90.4 secs Computing kpt #: 320 total cpu time spent up to now is 90.7 secs Computing kpt #: 321 total cpu time spent up to now is 90.9 secs Computing kpt #: 322 total cpu time spent up to now is 91.2 secs Computing kpt #: 323 total cpu time spent up to now is 91.4 secs Computing kpt #: 324 total cpu time spent up to now is 91.7 secs Computing kpt #: 325 total cpu time spent up to now is 91.9 secs Computing kpt #: 326 total cpu time spent up to now is 92.2 secs Computing kpt #: 327 total cpu time spent up to now is 92.4 secs Computing kpt #: 328 total cpu time spent up to now is 92.7 secs Computing kpt #: 329 total cpu time spent up to now is 92.9 secs Computing kpt #: 330 total cpu time spent up to now is 93.2 secs Computing kpt #: 331 total cpu time spent up to now is 93.4 secs Computing kpt #: 332 total cpu time spent up to now is 93.7 secs Computing kpt #: 333 total cpu time spent up to now is 93.9 secs Computing kpt #: 334 total cpu time spent up to now is 94.2 secs Computing kpt #: 335 total cpu time spent up to now is 94.4 secs Computing kpt #: 336 total cpu time spent up to now is 94.7 secs Computing kpt #: 337 total cpu time spent up to now is 94.9 secs Computing kpt #: 338 total cpu time spent up to now is 95.2 secs Computing kpt #: 339 total cpu time spent up to now is 95.5 secs Computing kpt #: 340 total cpu time spent up to now is 95.7 secs Computing kpt #: 341 total cpu time spent up to now is 95.9 secs Computing kpt #: 342 total cpu time spent up to now is 96.2 secs Computing kpt #: 343 total cpu time spent up to now is 96.4 secs Computing kpt #: 344 total cpu time spent up to now is 96.7 secs Computing kpt #: 345 total cpu time spent up to now is 96.9 secs Computing kpt #: 346 total cpu time spent up to now is 97.1 secs Computing kpt #: 347 total cpu time spent up to now is 97.4 secs Computing kpt #: 348 total cpu time spent up to now is 97.6 secs Computing kpt #: 349 total cpu time spent up to now is 97.8 secs Computing kpt #: 350 total cpu time spent up to now is 98.1 secs Computing kpt #: 351 total cpu time spent up to now is 98.3 secs Computing kpt #: 352 total cpu time spent up to now is 98.5 secs Computing kpt #: 353 total cpu time spent up to now is 98.8 secs Computing kpt #: 354 total cpu time spent up to now is 99.0 secs Computing kpt #: 355 total cpu time spent up to now is 99.2 secs Computing kpt #: 356 total cpu time spent up to now is 99.5 secs Computing kpt #: 357 total cpu time spent up to now is 99.7 secs Computing kpt #: 358 total cpu time spent up to now is 99.9 secs Computing kpt #: 359 total cpu time spent up to now is 100.2 secs Computing kpt #: 360 total cpu time spent up to now is 100.4 secs Computing kpt #: 361 total cpu time spent up to now is 100.6 secs Computing kpt #: 362 total cpu time spent up to now is 100.9 secs Computing kpt #: 363 total cpu time spent up to now is 101.1 secs Computing kpt #: 364 total cpu time spent up to now is 101.3 secs Computing kpt #: 365 total cpu time spent up to now is 101.5 secs Computing kpt #: 366 total cpu time spent up to now is 101.8 secs Computing kpt #: 367 total cpu time spent up to now is 102.0 secs Computing kpt #: 368 total cpu time spent up to now is 102.2 secs Computing kpt #: 369 total cpu time spent up to now is 102.4 secs Computing kpt #: 370 total cpu time spent up to now is 102.7 secs Computing kpt #: 371 total cpu time spent up to now is 102.9 secs Computing kpt #: 372 total cpu time spent up to now is 103.1 secs Computing kpt #: 373 total cpu time spent up to now is 103.4 secs Computing kpt #: 374 total cpu time spent up to now is 103.6 secs Computing kpt #: 375 total cpu time spent up to now is 103.8 secs Computing kpt #: 376 total cpu time spent up to now is 104.0 secs Computing kpt #: 377 total cpu time spent up to now is 104.3 secs Computing kpt #: 378 total cpu time spent up to now is 104.5 secs Computing kpt #: 379 total cpu time spent up to now is 104.7 secs Computing kpt #: 380 total cpu time spent up to now is 105.0 secs Computing kpt #: 381 total cpu time spent up to now is 105.2 secs Computing kpt #: 382 total cpu time spent up to now is 105.4 secs Computing kpt #: 383 total cpu time spent up to now is 105.6 secs Computing kpt #: 384 total cpu time spent up to now is 105.9 secs Computing kpt #: 385 total cpu time spent up to now is 106.1 secs Computing kpt #: 386 total cpu time spent up to now is 106.3 secs Computing kpt #: 387 total cpu time spent up to now is 106.5 secs Computing kpt #: 388 total cpu time spent up to now is 106.8 secs Computing kpt #: 389 total cpu time spent up to now is 107.0 secs Computing kpt #: 390 total cpu time spent up to now is 107.2 secs Computing kpt #: 391 total cpu time spent up to now is 107.5 secs Computing kpt #: 392 total cpu time spent up to now is 107.8 secs Computing kpt #: 393 total cpu time spent up to now is 108.1 secs Computing kpt #: 394 total cpu time spent up to now is 108.4 secs Computing kpt #: 395 total cpu time spent up to now is 108.7 secs Computing kpt #: 396 total cpu time spent up to now is 109.0 secs Computing kpt #: 397 total cpu time spent up to now is 109.3 secs Computing kpt #: 398 total cpu time spent up to now is 109.6 secs Computing kpt #: 399 total cpu time spent up to now is 109.9 secs Computing kpt #: 400 total cpu time spent up to now is 110.2 secs Computing kpt #: 401 total cpu time spent up to now is 110.5 secs Computing kpt #: 402 total cpu time spent up to now is 110.7 secs Computing kpt #: 403 total cpu time spent up to now is 111.0 secs Computing kpt #: 404 total cpu time spent up to now is 111.3 secs Computing kpt #: 405 total cpu time spent up to now is 111.6 secs Computing kpt #: 406 total cpu time spent up to now is 111.9 secs Computing kpt #: 407 total cpu time spent up to now is 112.2 secs Computing kpt #: 408 total cpu time spent up to now is 112.5 secs Computing kpt #: 409 total cpu time spent up to now is 112.8 secs Computing kpt #: 410 total cpu time spent up to now is 113.2 secs Computing kpt #: 411 total cpu time spent up to now is 113.5 secs Computing kpt #: 412 total cpu time spent up to now is 113.9 secs Computing kpt #: 413 total cpu time spent up to now is 114.5 secs Computing kpt #: 414 total cpu time spent up to now is 114.9 secs Computing kpt #: 415 total cpu time spent up to now is 115.5 secs Computing kpt #: 416 total cpu time spent up to now is 116.1 secs Computing kpt #: 417 total cpu time spent up to now is 116.9 secs Computing kpt #: 418 total cpu time spent up to now is 117.3 secs Computing kpt #: 419 total cpu time spent up to now is 117.6 secs Computing kpt #: 420 total cpu time spent up to now is 117.8 secs Computing kpt #: 421 total cpu time spent up to now is 118.2 secs Computing kpt #: 422 total cpu time spent up to now is 118.4 secs Computing kpt #: 423 total cpu time spent up to now is 118.8 secs Computing kpt #: 424 total cpu time spent up to now is 119.1 secs Computing kpt #: 425 total cpu time spent up to now is 119.5 secs Computing kpt #: 426 total cpu time spent up to now is 119.8 secs Computing kpt #: 427 total cpu time spent up to now is 120.1 secs Computing kpt #: 428 total cpu time spent up to now is 120.5 secs Computing kpt #: 429 total cpu time spent up to now is 120.8 secs Computing kpt #: 430 total cpu time spent up to now is 121.1 secs Computing kpt #: 431 total cpu time spent up to now is 121.5 secs Computing kpt #: 432 total cpu time spent up to now is 121.8 secs Computing kpt #: 433 total cpu time spent up to now is 122.1 secs Computing kpt #: 434 total cpu time spent up to now is 122.5 secs Computing kpt #: 435 total cpu time spent up to now is 122.8 secs Computing kpt #: 436 total cpu time spent up to now is 123.1 secs Computing kpt #: 437 total cpu time spent up to now is 123.4 secs Computing kpt #: 438 total cpu time spent up to now is 123.7 secs Computing kpt #: 439 total cpu time spent up to now is 124.0 secs Computing kpt #: 440 total cpu time spent up to now is 124.3 secs Computing kpt #: 441 total cpu time spent up to now is 124.6 secs Computing kpt #: 442 total cpu time spent up to now is 124.8 secs Computing kpt #: 443 total cpu time spent up to now is 125.1 secs Computing kpt #: 444 total cpu time spent up to now is 125.3 secs Computing kpt #: 445 total cpu time spent up to now is 125.6 secs Computing kpt #: 446 total cpu time spent up to now is 125.8 secs Computing kpt #: 447 total cpu time spent up to now is 126.1 secs Computing kpt #: 448 total cpu time spent up to now is 126.3 secs Computing kpt #: 449 total cpu time spent up to now is 126.5 secs Computing kpt #: 450 total cpu time spent up to now is 126.8 secs Computing kpt #: 451 total cpu time spent up to now is 127.0 secs Computing kpt #: 452 total cpu time spent up to now is 127.3 secs Computing kpt #: 453 total cpu time spent up to now is 127.5 secs ethr = 3.13E-08, avg # of iterations = 21.7 total cpu time spent up to now is 127.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -8.8627 -8.8627 -7.3721 -7.3721 2.2360 2.2360 4.5917 4.5917 4.7221 4.7221 7.4836 7.4836 7.5238 7.5238 7.6850 7.6850 8.1910 8.1910 8.3257 8.3257 8.9376 8.9376 10.5885 10.5885 10.7691 10.7691 10.7801 10.7801 11.6005 11.6005 11.6875 11.6875 14.1292 14.1292 15.1068 15.1068 15.4142 15.4142 17.2336 17.2336 k = 0.0000 0.0096-0.0000 ( 1847 PWs) bands (ev): -8.8621 -8.8621 -7.3724 -7.3724 2.2372 2.2372 4.5919 4.5919 4.7223 4.7223 7.4601 7.4601 7.5375 7.5375 7.6884 7.6884 8.1900 8.1900 8.3311 8.3311 8.9385 8.9385 10.5885 10.5885 10.7692 10.7692 10.7800 10.7800 11.6002 11.6002 11.6878 11.6878 14.1312 14.1312 15.1057 15.1057 15.4131 15.4131 17.2379 17.2379 k = 0.0000 0.0192-0.0000 ( 1851 PWs) bands (ev): -8.8605 -8.8605 -7.3733 -7.3733 2.2406 2.2406 4.5927 4.5927 4.7231 4.7231 7.4162 7.4162 7.5530 7.5530 7.6979 7.6979 8.1875 8.1875 8.3469 8.3469 8.9413 8.9413 10.5885 10.5885 10.7693 10.7693 10.7798 10.7798 11.5992 11.5992 11.6888 11.6888 14.1369 14.1369 15.1025 15.1025 15.4099 15.4099 17.2508 17.2508 k = 0.0000 0.0288-0.0000 ( 1845 PWs) bands (ev): -8.8577 -8.8577 -7.3748 -7.3748 2.2464 2.2464 4.5939 4.5939 4.7243 4.7243 7.3634 7.3634 7.5613 7.5613 7.7119 7.7119 8.1839 8.1839 8.3717 8.3717 8.9459 8.9459 10.5884 10.5884 10.7692 10.7692 10.7798 10.7798 11.5976 11.5976 11.6903 11.6903 14.1464 14.1464 15.0973 15.0973 15.4049 15.4049 17.2721 17.2721 k = 0.0000 0.0385-0.0000 ( 1845 PWs) bands (ev): -8.8538 -8.8538 -7.3768 -7.3768 2.2544 2.2544 4.5956 4.5956 4.7259 4.7259 7.3038 7.3038 7.5633 7.5633 7.7283 7.7283 8.1796 8.1796 8.4040 8.4040 8.9524 8.9524 10.5884 10.5884 10.7681 10.7681 10.7808 10.7808 11.5954 11.5954 11.6926 11.6926 14.1597 14.1597 15.0901 15.0901 15.3979 15.3979 17.3016 17.3016 k = 0.0000 0.0481-0.0000 ( 1845 PWs) bands (ev): -8.8488 -8.8488 -7.3794 -7.3794 2.2647 2.2647 4.5978 4.5978 4.7281 4.7281 7.2388 7.2388 7.5607 7.5607 7.7457 7.7457 8.1746 8.1746 8.4425 8.4425 8.9607 8.9607 10.5883 10.5883 10.7660 10.7660 10.7828 10.7828 11.5924 11.5924 11.6956 11.6956 14.1768 14.1768 15.0810 15.0810 15.3894 15.3894 17.3390 17.3390 k = 0.0000 0.0577-0.0000 ( 1845 PWs) bands (ev): -8.8427 -8.8427 -7.3826 -7.3826 2.2772 2.2772 4.6005 4.6005 4.7308 4.7308 7.1691 7.1691 7.5549 7.5549 7.7632 7.7632 8.1689 8.1689 8.4859 8.4859 8.9707 8.9707 10.5883 10.5883 10.7630 10.7630 10.7858 10.7858 11.5888 11.5888 11.6993 11.6993 14.1974 14.1974 15.0700 15.0700 15.3794 15.3794 17.3840 17.3840 k = 0.0000 0.0673-0.0000 ( 1839 PWs) bands (ev): -8.8356 -8.8356 -7.3863 -7.3863 2.2920 2.2920 4.6037 4.6037 4.7340 4.7340 7.0955 7.0955 7.5464 7.5464 7.7808 7.7808 8.1622 8.1622 8.5333 8.5333 8.9825 8.9825 10.5883 10.5883 10.7592 10.7592 10.7896 10.7896 11.5846 11.5846 11.7038 11.7038 14.2215 14.2215 15.0574 15.0574 15.3682 15.3682 17.4360 17.4360 k = 0.0000 0.0769-0.0000 ( 1845 PWs) bands (ev): -8.8275 -8.8275 -7.3906 -7.3906 2.3088 2.3088 4.6075 4.6075 4.7377 4.7377 7.0185 7.0185 7.5359 7.5359 7.7983 7.7983 8.1543 8.1543 8.5838 8.5838 8.9961 8.9961 10.5884 10.5884 10.7550 10.7550 10.7940 10.7940 11.5798 11.5798 11.7089 11.7089 14.2491 14.2491 15.0432 15.0432 15.3560 15.3560 17.4947 17.4947 k = 0.0000 0.0865-0.0000 ( 1845 PWs) bands (ev): -8.8183 -8.8183 -7.3954 -7.3954 2.3278 2.3278 4.6118 4.6118 4.7420 4.7420 6.9387 6.9387 7.5236 7.5236 7.8161 7.8161 8.1452 8.1452 8.6366 8.6366 9.0114 9.0114 10.5886 10.5886 10.7503 10.7503 10.7989 10.7989 11.5746 11.5746 11.7147 11.7147 14.2798 14.2798 15.0277 15.0277 15.3430 15.3430 17.5598 17.5598 k = 0.0000 0.0962-0.0000 ( 1845 PWs) bands (ev): -8.8082 -8.8082 -7.4007 -7.4007 2.3489 2.3489 4.6166 4.6166 4.7469 4.7469 6.8565 6.8565 7.5098 7.5098 7.8341 7.8341 8.1344 8.1344 8.6913 8.6913 9.0287 9.0287 10.5890 10.5890 10.7455 10.7455 10.8044 10.8044 11.5691 11.5691 11.7210 11.7210 14.3137 14.3137 15.0112 15.0112 15.3293 15.3293 17.6307 17.6307 k = 0.0000 0.1058-0.0000 ( 1847 PWs) bands (ev): -8.7971 -8.7971 -7.4064 -7.4064 2.3720 2.3720 4.6220 4.6220 4.7523 4.7523 6.7722 6.7722 7.4946 7.4946 7.8526 7.8526 8.1219 8.1219 8.7472 8.7472 9.0479 9.0479 10.5896 10.5896 10.7405 10.7405 10.8103 10.8103 11.5634 11.5634 11.7278 11.7278 14.3503 14.3503 14.9938 14.9938 15.3150 15.3150 17.7071 17.7071 k = 0.0000 0.1154-0.0000 ( 1849 PWs) bands (ev): -8.7851 -8.7851 -7.4126 -7.4126 2.3970 2.3970 4.6280 4.6280 4.7583 4.7583 6.6862 6.6862 7.4781 7.4781 7.8717 7.8717 8.1075 8.1075 8.8037 8.8037 9.0693 9.0693 10.5904 10.5904 10.7358 10.7358 10.8166 10.8166 11.5577 11.5577 11.7349 11.7349 14.3894 14.3894 14.9759 14.9759 15.3002 15.3002 17.7886 17.7886 k = 0.0000 0.1250-0.0000 ( 1849 PWs) bands (ev): -8.7722 -8.7722 -7.4193 -7.4193 2.4240 2.4240 4.6346 4.6346 4.7649 4.7649 6.5988 6.5988 7.4605 7.4605 7.8913 7.8913 8.0909 8.0909 8.8602 8.8602 9.0933 9.0933 10.5912 10.5912 10.7315 10.7315 10.8233 10.8233 11.5520 11.5520 11.7424 11.7424 14.4306 14.4306 14.9579 14.9579 15.2851 15.2851 17.8748 17.8748 k = 0.0000 0.1346-0.0000 ( 1853 PWs) bands (ev): -8.7584 -8.7584 -7.4264 -7.4264 2.4527 2.4527 4.6418 4.6418 4.7720 4.7720 6.5103 6.5103 7.4419 7.4419 7.9114 7.9114 8.0722 8.0722 8.9157 8.9157 9.1207 9.1207 10.5919 10.5919 10.7280 10.7280 10.8304 10.8304 11.5465 11.5465 11.7501 11.7501 14.4734 14.4734 14.9404 14.9404 15.2697 15.2697 17.9655 17.9655 k = 0.0000 0.1442-0.0000 ( 1857 PWs) bands (ev): -8.7439 -8.7439 -7.4338 -7.4338 2.4832 2.4832 4.6496 4.6496 4.7798 4.7798 6.4210 6.4210 7.4224 7.4224 7.9318 7.9318 8.0515 8.0515 8.9689 8.9689 9.1524 9.1524 10.5922 10.5922 10.7259 10.7259 10.8379 10.8379 11.5413 11.5413 11.7580 11.7580 14.5171 14.5171 14.9239 14.9239 15.2539 15.2539 18.0602 18.0602 k = 0.0000 0.1538-0.0000 ( 1857 PWs) bands (ev): -8.7286 -8.7286 -7.4416 -7.4416 2.5154 2.5154 4.6581 4.6581 4.7882 4.7882 6.3312 6.3312 7.4021 7.4021 7.9515 7.9515 8.0295 8.0295 9.0184 9.0184 9.1894 9.1894 10.5916 10.5916 10.7258 10.7258 10.8459 10.8459 11.5364 11.5364 11.7660 11.7660 14.5606 14.5606 14.9095 14.9095 15.2379 15.2379 18.1588 18.1588 k = 0.0000 0.1635-0.0000 ( 1849 PWs) bands (ev): -8.7127 -8.7127 -7.4497 -7.4497 2.5491 2.5491 4.6673 4.6673 4.7972 4.7972 6.2410 6.2410 7.3811 7.3811 7.9656 7.9656 8.0113 8.0113 9.0633 9.0633 9.2328 9.2328 10.5898 10.5898 10.7281 10.7281 10.8545 10.8545 11.5321 11.5321 11.7740 11.7740 14.6021 14.6021 14.8990 14.8990 15.2218 15.2218 18.2609 18.2609 k = 0.0000 0.1731-0.0000 ( 1853 PWs) bands (ev): -8.6960 -8.6960 -7.4582 -7.4582 2.5842 2.5842 4.6771 4.6771 4.8069 4.8069 6.1508 6.1508 7.3595 7.3595 7.9559 7.9559 8.0148 8.0148 9.1031 9.1031 9.2821 9.2821 10.5863 10.5863 10.7334 10.7334 10.8639 10.8639 11.5282 11.5282 11.7822 11.7822 14.6388 14.6388 14.8950 14.8950 15.2055 15.2055 18.3662 18.3662 k = 0.0000 0.1827-0.0000 ( 1857 PWs) bands (ev): -8.6788 -8.6788 -7.4668 -7.4668 2.6208 2.6208 4.6876 4.6876 4.8172 4.8172 6.0608 6.0608 7.3374 7.3374 7.9280 7.9280 8.0345 8.0345 9.1389 9.1389 9.3364 9.3364 10.5811 10.5811 10.7417 10.7417 10.8745 10.8745 11.5249 11.5249 11.7903 11.7903 14.6670 14.6670 14.9012 14.9012 15.1892 15.1892 18.4745 18.4745 k = 0.0000 0.1923-0.0000 ( 1857 PWs) bands (ev): -8.6611 -8.6611 -7.4757 -7.4757 2.6586 2.6586 4.6987 4.6987 4.8281 4.8281 5.9712 5.9712 7.3149 7.3149 7.8940 7.8940 8.0582 8.0582 9.1719 9.1719 9.3939 9.3939 10.5742 10.5742 10.7527 10.7527 10.8866 10.8866 11.5222 11.5222 11.7986 11.7986 14.6833 14.6833 14.9206 14.9206 15.1729 15.1729 18.5855 18.5855 k = 0.0000 0.2019-0.0000 ( 1857 PWs) bands (ev): -8.6428 -8.6428 -7.4849 -7.4849 2.6975 2.6975 4.7105 4.7105 4.8396 4.8396 5.8823 5.8823 7.2920 7.2920 7.8563 7.8563 8.0835 8.0835 9.2030 9.2030 9.4531 9.4531 10.5659 10.5659 10.7658 10.7658 10.9009 10.9009 11.5202 11.5202 11.8069 11.8069 14.6880 14.6880 14.9528 14.9528 15.1568 15.1568 18.6989 18.6989 k = 0.0000 0.2115-0.0000 ( 1869 PWs) bands (ev): -8.6242 -8.6242 -7.4941 -7.4941 2.7375 2.7375 4.7228 4.7228 4.8518 4.8518 5.7942 5.7942 7.2690 7.2690 7.8156 7.8156 8.1098 8.1098 9.2330 9.2330 9.5128 9.5128 10.5565 10.5565 10.7801 10.7801 10.9183 10.9183 11.5188 11.5188 11.8154 11.8154 14.6843 14.6843 14.9940 14.9940 15.1414 15.1414 18.8141 18.8141 k = 0.0000 0.2212-0.0000 ( 1869 PWs) bands (ev): -8.6052 -8.6052 -7.5035 -7.5035 2.7784 2.7784 4.7356 4.7356 4.8647 4.8647 5.7073 5.7073 7.2458 7.2458 7.7721 7.7721 8.1370 8.1370 9.2625 9.2625 9.5720 9.5720 10.5464 10.5464 10.7946 10.7946 10.9397 10.9397 11.5182 11.5182 11.8241 11.8241 14.6757 14.6757 15.0391 15.0391 15.1283 15.1283 18.9295 18.9295 k = 0.0000 0.2308-0.0000 ( 1865 PWs) bands (ev): -8.5859 -8.5859 -7.5130 -7.5130 2.8201 2.8201 4.7489 4.7489 4.8782 4.8782 5.6218 5.6218 7.2226 7.2226 7.7260 7.7260 8.1648 8.1648 9.2916 9.2916 9.6297 9.6297 10.5360 10.5360 10.8084 10.8084 10.9659 10.9659 11.5183 11.5183 11.8332 11.8332 14.6645 14.6645 15.0752 15.0752 15.1278 15.1278 19.0347 19.0347 k = 0.0000 0.2404-0.0000 ( 1863 PWs) bands (ev): -8.5664 -8.5664 -7.5226 -7.5226 2.8624 2.8624 4.7625 4.7625 4.8922 4.8922 5.5380 5.5380 7.1994 7.1994 7.6775 7.6775 8.1932 8.1932 9.3206 9.3206 9.6853 9.6853 10.5254 10.5254 10.8209 10.8209 10.9972 10.9972 11.5193 11.5193 11.8427 11.8427 14.6521 14.6521 15.0771 15.0771 15.1637 15.1637 19.0328 19.0328 k = 0.0000 0.2500-0.0000 ( 1859 PWs) bands (ev): -8.5467 -8.5467 -7.5321 -7.5321 2.9052 2.9052 4.7762 4.7762 4.9067 4.9067 5.4565 5.4565 7.1763 7.1763 7.6269 7.6269 8.2221 8.2221 9.3496 9.3496 9.7379 9.7379 10.5152 10.5152 10.8319 10.8319 11.0336 11.0336 11.5214 11.5214 11.8529 11.8529 14.6394 14.6394 15.0646 15.0646 15.2153 15.2153 18.9531 18.9531 k = 0.0000 0.2596-0.0000 ( 1863 PWs) bands (ev): -8.5269 -8.5269 -7.5417 -7.5417 2.9484 2.9484 4.7901 4.7901 4.9212 4.9212 5.3777 5.3777 7.1534 7.1534 7.5742 7.5742 8.2515 8.2515 9.3785 9.3785 9.7869 9.7869 10.5054 10.5054 10.8416 10.8416 11.0745 11.0745 11.5247 11.5247 11.8640 11.8640 14.6269 14.6269 15.0496 15.0496 15.2698 15.2698 18.8643 18.8643 k = 0.0000 0.2692-0.0000 ( 1869 PWs) bands (ev): -8.5072 -8.5072 -7.5512 -7.5512 2.9919 2.9919 4.8037 4.8037 4.9351 4.9351 5.3028 5.3028 7.1308 7.1308 7.5196 7.5196 8.2811 8.2811 9.4074 9.4074 9.8318 9.8318 10.4966 10.4966 10.8502 10.8502 11.1187 11.1187 11.5298 11.5298 11.8763 11.8763 14.6149 14.6149 15.0340 15.0340 15.3251 15.3251 18.7723 18.7723 k = 0.0000 0.2788-0.0000 ( 1867 PWs) bands (ev): -8.4875 -8.4875 -7.5607 -7.5607 3.0354 3.0354 4.8170 4.8170 4.9467 4.9467 5.2337 5.2337 7.1085 7.1085 7.4635 7.4635 8.3111 8.3111 9.4362 9.4362 9.8721 9.8721 10.4888 10.4888 10.8580 10.8580 11.1648 11.1648 11.5373 11.5373 11.8903 11.8903 14.6036 14.6036 15.0183 15.0183 15.3803 15.3803 18.6783 18.6783 k = 0.0000 0.2885-0.0000 ( 1867 PWs) bands (ev): -8.4679 -8.4679 -7.5700 -7.5700 3.0789 3.0789 4.8295 4.8295 4.9523 4.9523 5.1748 5.1748 7.0866 7.0866 7.4059 7.4059 8.3412 8.3412 9.4650 9.4650 9.9075 9.9075 10.4823 10.4823 10.8652 10.8652 11.2109 11.2109 11.5480 11.5480 11.9066 11.9066 14.5933 14.5933 15.0028 15.0028 15.4350 15.4350 18.5830 18.5830 k = 0.0000 0.2981-0.0000 ( 1867 PWs) bands (ev): -8.4485 -8.4485 -7.5792 -7.5792 3.1222 3.1222 4.8400 4.8400 4.9450 4.9450 5.1340 5.1340 7.0652 7.0652 7.3471 7.3471 8.3713 8.3713 9.4936 9.4936 9.9378 9.9378 10.4773 10.4773 10.8720 10.8720 11.2545 11.2545 11.5630 11.5630 11.9261 11.9261 14.5839 14.5839 14.9874 14.9874 15.4887 15.4887 18.4871 18.4871 k = 0.0000 0.3077-0.0000 ( 1867 PWs) bands (ev): -8.4295 -8.4295 -7.5882 -7.5882 3.1651 3.1651 4.8446 4.8446 4.9219 4.9219 5.1184 5.1184 7.0443 7.0443 7.2873 7.2873 8.4014 8.4014 9.5220 9.5220 9.9628 9.9628 10.4739 10.4739 10.8785 10.8785 11.2930 11.2930 11.5835 11.5835 11.9499 11.9499 14.5755 14.5755 14.9723 14.9723 15.5414 15.5414 18.3910 18.3910 k = 0.0000 0.3173-0.0000 ( 1867 PWs) bands (ev): -8.4107 -8.4107 -7.5969 -7.5969 3.2076 3.2076 4.8290 4.8290 4.9017 4.9017 5.1235 5.1235 7.0240 7.0240 7.2267 7.2267 8.4314 8.4314 9.5501 9.5501 9.9829 9.9829 10.4720 10.4720 10.8850 10.8850 11.3241 11.3241 11.6094 11.6094 11.9794 11.9794 14.5680 14.5680 14.9576 14.9576 15.5928 15.5928 18.2952 18.2952 k = 0.0000 0.3269-0.0000 ( 1859 PWs) bands (ev): -8.3924 -8.3924 -7.6055 -7.6055 3.2494 3.2494 4.7857 4.7857 4.9012 4.9012 5.1404 5.1404 7.0042 7.0042 7.1655 7.1655 8.4611 8.4611 9.5779 9.5779 9.9983 9.9983 10.4715 10.4715 10.8915 10.8915 11.3472 11.3472 11.6392 11.6392 12.0163 12.0163 14.5616 14.5616 14.9433 14.9433 15.6427 15.6427 18.2003 18.2003 k = 0.0000 0.3365-0.0000 ( 1859 PWs) bands (ev): -8.3746 -8.3746 -7.6138 -7.6138 3.2904 3.2904 4.7314 4.7314 4.9087 4.9087 5.1636 5.1636 6.9849 6.9849 7.1041 7.1041 8.4904 8.4904 9.6052 9.6052 10.0094 10.0094 10.4721 10.4721 10.8980 10.8980 11.3630 11.3630 11.6702 11.6702 12.0619 12.0619 14.5561 14.5561 14.9294 14.9294 15.6911 15.6911 18.1067 18.1067 k = 0.0000 0.3462-0.0000 ( 1864 PWs) bands (ev): -8.3574 -8.3574 -7.6218 -7.6218 3.3306 3.3306 4.6749 4.6749 4.9182 4.9182 5.1907 5.1907 6.9657 6.9657 7.0431 7.0431 8.5191 8.5191 9.6319 9.6319 10.0168 10.0168 10.4736 10.4736 10.9046 10.9046 11.3730 11.3730 11.6996 11.6996 12.1168 12.1168 14.5513 14.5513 14.9160 14.9160 15.7377 15.7377 18.0150 18.0150 k = 0.0000 0.3558-0.0000 ( 1860 PWs) bands (ev): -8.3408 -8.3408 -7.6294 -7.6294 3.3697 3.3697 4.6189 4.6189 4.9281 4.9281 5.2206 5.2206 6.9443 6.9443 6.9850 6.9850 8.5472 8.5472 9.6580 9.6580 10.0210 10.0210 10.4756 10.4756 10.9114 10.9114 11.3787 11.3787 11.7255 11.7255 12.1805 12.1805 14.5474 14.5474 14.9031 14.9031 15.7826 15.7826 17.9256 17.9256 k = 0.0000 0.3654-0.0000 ( 1862 PWs) bands (ev): -8.3249 -8.3249 -7.6367 -7.6367 3.4076 3.4076 4.5644 4.5644 4.9378 4.9378 5.2526 5.2526 6.9064 6.9064 6.9445 6.9445 8.5745 8.5745 9.6833 9.6833 10.0227 10.0227 10.4779 10.4779 10.9184 10.9184 11.3813 11.3813 11.7476 11.7476 12.2516 12.2516 14.5441 14.5441 14.8907 14.8907 15.8257 15.8257 17.8391 17.8391 k = 0.0000 0.3750-0.0000 ( 1862 PWs) bands (ev): -8.3098 -8.3098 -7.6436 -7.6436 3.4442 3.4442 4.5120 4.5120 4.9471 4.9471 5.2863 5.2863 6.8495 6.8495 6.9242 6.9242 8.6008 8.6008 9.7077 9.7077 10.0225 10.0225 10.4801 10.4801 10.9256 10.9256 11.3817 11.3817 11.7661 11.7661 12.3281 12.3281 14.5413 14.5413 14.8789 14.8789 15.8670 15.8670 17.7558 17.7558 k = 0.0000 0.3846-0.0000 ( 1862 PWs) bands (ev): -8.2956 -8.2956 -7.6501 -7.6501 3.4795 3.4795 4.4622 4.4622 4.9560 4.9560 5.3215 5.3215 6.7896 6.7896 6.9085 6.9085 8.6260 8.6260 9.7311 9.7311 10.0207 10.0207 10.4822 10.4822 10.9329 10.9329 11.3803 11.3803 11.7814 11.7814 12.4081 12.4081 14.5388 14.5388 14.8677 14.8677 15.9063 15.9063 17.6763 17.6763 k = 0.0000 0.3942-0.0000 ( 1866 PWs) bands (ev): -8.2822 -8.2822 -7.6562 -7.6562 3.5132 3.5132 4.4150 4.4150 4.9643 4.9643 5.3578 5.3578 6.7296 6.7296 6.8945 6.8945 8.6500 8.6500 9.7533 9.7533 10.0178 10.0178 10.4838 10.4838 10.9403 10.9403 11.3778 11.3778 11.7943 11.7943 12.4896 12.4896 14.5366 14.5366 14.8571 14.8571 15.9437 15.9437 17.6009 17.6009 k = 0.0000 0.4038-0.0000 ( 1862 PWs) bands (ev): -8.2698 -8.2698 -7.6618 -7.6618 3.5452 3.5452 4.3707 4.3707 4.9720 4.9720 5.3950 5.3950 6.6704 6.6704 6.8819 6.8819 8.6725 8.6725 9.7743 9.7743 10.0142 10.0142 10.4851 10.4851 10.9477 10.9477 11.3743 11.3743 11.8051 11.8051 12.5711 12.5711 14.5346 14.5346 14.8472 14.8472 15.9791 15.9791 17.5300 17.5300 k = 0.0000 0.4135-0.0000 ( 1864 PWs) bands (ev): -8.2584 -8.2584 -7.6669 -7.6669 3.5754 3.5754 4.3294 4.3294 4.9791 4.9791 5.4328 5.4328 6.6125 6.6125 6.8705 6.8705 8.6934 8.6934 9.7938 9.7938 10.0103 10.0103 10.4859 10.4859 10.9551 10.9551 11.3703 11.3703 11.8142 11.8142 12.6509 12.6509 14.5325 14.5325 14.8380 14.8380 16.0125 16.0125 17.4641 17.4641 k = 0.0000 0.4231-0.0000 ( 1864 PWs) bands (ev): -8.2480 -8.2480 -7.6716 -7.6716 3.6037 3.6037 4.2913 4.2913 4.9855 4.9855 5.4709 5.4709 6.5563 6.5563 6.8603 6.8603 8.7127 8.7127 9.8118 9.8118 10.0062 10.0062 10.4862 10.4862 10.9623 10.9623 11.3659 11.3659 11.8219 11.8219 12.7275 12.7275 14.5303 14.5303 14.8296 14.8296 16.0438 16.0438 17.4034 17.4034 k = 0.0000 0.4327-0.0000 ( 1864 PWs) bands (ev): -8.2388 -8.2388 -7.6757 -7.6757 3.6300 3.6300 4.2565 4.2565 4.9912 4.9912 5.5086 5.5086 6.5024 6.5024 6.8512 6.8512 8.7300 8.7300 9.8280 9.8280 10.0022 10.0022 10.4862 10.4862 10.9692 10.9692 11.3613 11.3613 11.8284 11.8284 12.7995 12.7995 14.5280 14.5280 14.8220 14.8220 16.0728 16.0728 17.3484 17.3484 k = 0.0000 0.4423-0.0000 ( 1876 PWs) bands (ev): -8.2307 -8.2307 -7.6794 -7.6794 3.6538 3.6538 4.2252 4.2252 4.9962 4.9962 5.5456 5.5456 6.4514 6.4514 6.8433 6.8433 8.7454 8.7454 9.8425 9.8425 9.9984 9.9984 10.4858 10.4858 10.9756 10.9756 11.3567 11.3567 11.8339 11.8339 12.8655 12.8655 14.5256 14.5256 14.8152 14.8152 16.0994 16.0994 17.2993 17.2993 k = 0.0000 0.4519-0.0000 ( 1876 PWs) bands (ev): -8.2238 -8.2238 -7.6824 -7.6824 3.6751 3.6751 4.1977 4.1977 5.0005 5.0005 5.5808 5.5808 6.4041 6.4041 6.8366 6.8366 8.7586 8.7586 9.8550 9.8550 9.9949 9.9949 10.4853 10.4853 10.9815 10.9815 11.3525 11.3525 11.8384 11.8384 12.9242 12.9242 14.5231 14.5231 14.8093 14.8093 16.1231 16.1231 17.2567 17.2567 k = 0.0000 0.4615-0.0000 ( 1872 PWs) bands (ev): -8.2181 -8.2181 -7.6850 -7.6850 3.6935 3.6935 4.1743 4.1743 5.0040 5.0040 5.6133 5.6133 6.3619 6.3619 6.8311 6.8311 8.7696 8.7696 9.8654 9.8654 9.9920 9.9920 10.4847 10.4847 10.9866 10.9866 11.3487 11.3487 11.8420 11.8420 12.9743 12.9743 14.5207 14.5207 14.8043 14.8043 16.1435 16.1435 17.2209 17.2209 k = 0.0000 0.4712-0.0000 ( 1872 PWs) bands (ev): -8.2136 -8.2136 -7.6870 -7.6870 3.7085 3.7085 4.1553 4.1553 5.0068 5.0068 5.6415 5.6415 6.3259 6.3259 6.8269 6.8269 8.7782 8.7782 9.8736 9.8736 9.9896 9.9896 10.4841 10.4841 10.9907 10.9907 11.3455 11.3455 11.8448 11.8448 13.0147 13.0147 14.5186 14.5186 14.8004 14.8004 16.1602 16.1602 17.1923 17.1923 k = 0.0000 0.4808-0.0000 ( 1864 PWs) bands (ev): -8.2104 -8.2104 -7.6884 -7.6884 3.7198 3.7198 4.1413 4.1413 5.0088 5.0088 5.6638 5.6638 6.2982 6.2982 6.8238 6.8238 8.7844 8.7844 9.8795 9.8795 9.9879 9.9879 10.4836 10.4836 10.9938 10.9938 11.3431 11.3431 11.8467 11.8467 13.0443 13.0443 14.5169 14.5169 14.7976 14.7976 16.1727 16.1727 17.1715 17.1715 k = 0.0000 0.4904-0.0000 ( 1868 PWs) bands (ev): -8.2085 -8.2085 -7.6893 -7.6893 3.7267 3.7267 4.1327 4.1327 5.0100 5.0100 5.6782 5.6782 6.2805 6.2805 6.8220 6.8220 8.7882 8.7882 9.8831 9.8831 9.9869 9.9869 10.4832 10.4832 10.9957 10.9957 11.3416 11.3416 11.8479 11.8479 13.0624 13.0624 14.5157 14.5157 14.7959 14.7959 16.1804 16.1804 17.1588 17.1588 k = 0.0000 0.5000-0.0000 ( 1876 PWs) bands (ev): -8.2078 -8.2078 -7.6895 -7.6895 3.7291 3.7291 4.1298 4.1298 5.0104 5.0104 5.6832 5.6832 6.2744 6.2744 6.8213 6.8213 8.7895 8.7895 9.8843 9.8843 9.9865 9.9865 10.4831 10.4831 10.9963 10.9963 11.3411 11.3411 11.8483 11.8483 13.0685 13.0685 14.5153 14.5153 14.7953 14.7953 16.1830 16.1830 17.1545 17.1545 k = 0.0000 0.5000-0.0000 ( 1876 PWs) bands (ev): -8.2078 -8.2078 -7.6895 -7.6895 3.7291 3.7291 4.1298 4.1298 5.0104 5.0104 5.6832 5.6832 6.2744 6.2744 6.8213 6.8213 8.7895 8.7895 9.8843 9.8843 9.9865 9.9865 10.4831 10.4831 10.9963 10.9963 11.3411 11.3411 11.8483 11.8483 13.0685 13.0685 14.5153 14.5153 14.7953 14.7953 16.1830 16.1830 17.1545 17.1545 k = 0.0096 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.2072 -8.2072 -7.6898 -7.6898 3.7305 3.7305 4.1297 4.1297 5.0092 5.0092 5.6839 5.6839 6.2763 6.2763 6.8175 6.8175 8.7911 8.7911 9.8857 9.8857 9.9860 9.9860 10.4825 10.4825 10.9957 10.9957 11.3408 11.3408 11.8474 11.8474 13.0690 13.0690 14.5110 14.5110 14.7981 14.7981 16.1843 16.1843 17.1581 17.1581 k = 0.0192 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.2055 -8.2055 -7.6906 -7.6906 3.7346 3.7346 4.1294 4.1294 5.0059 5.0059 5.6860 5.6860 6.2822 6.2822 6.8060 6.8060 8.7962 8.7962 9.8896 9.8896 9.9847 9.9847 10.4806 10.4806 10.9937 10.9937 11.3400 11.3400 11.8449 11.8449 13.0703 13.0703 14.4985 14.4985 14.8061 14.8061 16.1884 16.1884 17.1690 17.1690 k = 0.0288 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.2027 -8.2027 -7.6918 -7.6918 3.7415 3.7415 4.1289 4.1289 5.0005 5.0005 5.6895 5.6895 6.2917 6.2917 6.7870 6.7870 8.8047 8.8047 9.8959 9.8959 9.9825 9.9825 10.4774 10.4774 10.9906 10.9906 11.3385 11.3385 11.8408 11.8408 13.0725 13.0725 14.4790 14.4790 14.8181 14.8181 16.1950 16.1950 17.1870 17.1870 k = 0.0385 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.1988 -8.1988 -7.6936 -7.6936 3.7512 3.7512 4.1282 4.1282 4.9932 4.9932 5.6945 5.6945 6.3049 6.3049 6.7607 6.7607 8.8165 8.8165 9.9041 9.9041 9.9797 9.9797 10.4728 10.4728 10.9864 10.9864 11.3364 11.3364 11.8350 11.8350 13.0755 13.0755 14.4538 14.4538 14.8330 14.8330 16.2043 16.2043 17.2121 17.2121 k = 0.0481 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.1937 -8.1937 -7.6959 -7.6959 3.7635 3.7635 4.1274 4.1274 4.9840 4.9840 5.7008 5.7008 6.3214 6.3214 6.7275 6.7275 8.8317 8.8317 9.9136 9.9136 9.9768 9.9768 10.4669 10.4669 10.9814 10.9814 11.3336 11.3336 11.8276 11.8276 13.0794 13.0794 14.4240 14.4240 14.8496 14.8496 16.2160 16.2160 17.2443 17.2443 k = 0.0577 0.5000-0.0000 ( 1864 PWs) bands (ev): -8.1876 -8.1876 -7.6987 -7.6987 3.7786 3.7786 4.1263 4.1263 4.9734 4.9734 5.7087 5.7087 6.3409 6.3409 6.6877 6.6877 8.8502 8.8502 9.9230 9.9230 9.9746 9.9746 10.4595 10.4595 10.9758 10.9758 11.3302 11.3302 11.8187 11.8187 13.0841 13.0841 14.3906 14.3906 14.8673 14.8673 16.2301 16.2301 17.2834 17.2834 k = 0.0673 0.5000-0.0000 ( 1868 PWs) bands (ev): -8.1803 -8.1803 -7.7019 -7.7019 3.7963 3.7963 4.1250 4.1250 4.9615 4.9615 5.7179 5.7179 6.3632 6.3632 6.6418 6.6418 8.8719 8.8719 9.9300 9.9300 9.9754 9.9754 10.4505 10.4505 10.9698 10.9698 11.3259 11.3259 11.8083 11.8083 13.0896 13.0896 14.3541 14.3541 14.8856 14.8856 16.2463 16.2463 17.3293 17.3293 k = 0.0769 0.5000-0.0000 ( 1864 PWs) bands (ev): -8.1721 -8.1721 -7.7057 -7.7057 3.8167 3.8167 4.1235 4.1235 4.9486 4.9486 5.7286 5.7286 6.3878 6.3878 6.5902 6.5902 8.8968 8.8968 9.9317 9.9317 9.9816 9.9816 10.4400 10.4400 10.9637 10.9637 11.3209 11.3209 11.7965 11.7965 13.0958 13.0958 14.3152 14.3152 14.9043 14.9043 16.2646 16.2646 17.3819 17.3819 k = 0.0865 0.5000-0.0000 ( 1864 PWs) bands (ev): -8.1628 -8.1628 -7.7098 -7.7098 3.8397 3.8397 4.1217 4.1217 4.9349 4.9349 5.7407 5.7407 6.4145 6.4145 6.5335 6.5335 8.9248 8.9248 9.9282 9.9282 9.9927 9.9927 10.4279 10.4279 10.9578 10.9578 11.3151 11.3151 11.7832 11.7832 13.1028 13.1028 14.2742 14.2742 14.9230 14.9230 16.2846 16.2846 17.4410 17.4410 k = 0.0962 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.1525 -8.1525 -7.7144 -7.7144 3.8653 3.8653 4.1198 4.1198 4.9207 4.9207 5.7542 5.7542 6.4428 6.4428 6.4723 6.4723 8.9555 8.9555 9.9216 9.9216 10.0064 10.0064 10.4143 10.4143 10.9523 10.9523 11.3086 11.3086 11.7687 11.7687 13.1104 13.1104 14.2314 14.2314 14.9417 14.9417 16.3062 16.3062 17.5064 17.5064 k = 0.1058 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.1412 -8.1412 -7.7194 -7.7194 3.8933 3.8933 4.1176 4.1176 4.9062 4.9062 5.7691 5.7691 6.4066 6.4066 6.4727 6.4727 8.9888 8.9888 9.9133 9.9133 10.0211 10.0211 10.3991 10.3991 10.9475 10.9475 11.3012 11.3012 11.7530 11.7530 13.1188 13.1188 14.1871 14.1871 14.9605 14.9605 16.3290 16.3290 17.5780 17.5780 k = 0.1154 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.1290 -8.1290 -7.7248 -7.7248 3.9238 3.9238 4.1152 4.1152 4.8917 4.8917 5.7853 5.7853 6.3376 6.3376 6.5035 6.5035 9.0244 9.0244 9.9039 9.9039 10.0358 10.0358 10.3827 10.3827 10.9433 10.9433 11.2931 11.2931 11.7362 11.7362 13.1277 13.1277 14.1416 14.1416 14.9792 14.9792 16.3527 16.3527 17.6553 17.6553 k = 0.1250 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.1159 -8.1159 -7.7306 -7.7306 3.9567 3.9567 4.1125 4.1125 4.8773 4.8773 5.8029 5.8029 6.2656 6.2656 6.5351 6.5351 9.0618 9.0618 9.8941 9.8941 10.0499 10.0499 10.3653 10.3653 10.9401 10.9401 11.2842 11.2842 11.7183 11.7183 13.1372 13.1372 14.0952 14.0952 14.9980 14.9980 16.3770 16.3770 17.7382 17.7382 k = 0.1346 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.1020 -8.1020 -7.7368 -7.7368 3.9919 3.9919 4.1096 4.1096 4.8633 4.8633 5.8217 5.8217 6.1910 6.1910 6.5671 6.5671 9.1004 9.1004 9.8843 9.8843 10.0628 10.0628 10.3472 10.3472 10.9378 10.9378 11.2748 11.2748 11.6996 11.6996 13.1472 13.1472 14.0481 14.0481 15.0168 15.0168 16.4015 16.4015 17.8264 17.8264 k = 0.1442 0.5000-0.0000 ( 1856 PWs) bands (ev): -8.0873 -8.0873 -7.7432 -7.7432 4.0294 4.0294 4.1065 4.1065 4.8497 4.8497 5.8414 5.8414 6.1148 6.1148 6.5994 6.5994 9.1395 9.1395 9.8749 9.8749 10.0742 10.0742 10.3291 10.3291 10.9364 10.9364 11.2648 11.2648 11.6800 11.6800 13.1576 13.1576 14.0006 14.0006 15.0357 15.0357 16.4257 16.4257 17.9195 17.9195 k = 0.1538 0.5000-0.0000 ( 1856 PWs) bands (ev): -8.0718 -8.0718 -7.7500 -7.7500 4.0689 4.0689 4.1032 4.1032 4.8367 4.8367 5.8612 5.8612 6.0379 6.0379 6.6316 6.6316 9.1780 9.1780 9.8665 9.8665 10.0835 10.0835 10.3117 10.3117 10.9357 10.9357 11.2545 11.2545 11.6598 11.6598 13.1686 13.1686 13.9529 13.9529 15.0546 15.0546 16.4492 16.4492 18.0170 18.0170 k = 0.1635 0.5000-0.0000 ( 1860 PWs) bands (ev): -8.0556 -8.0556 -7.7571 -7.7571 4.0996 4.0996 4.1105 4.1105 4.8244 4.8244 5.8766 5.8766 5.9655 5.9655 6.6635 6.6635 9.2148 9.2148 9.8598 9.8598 10.0902 10.0902 10.2960 10.2960 10.9358 10.9358 11.2439 11.2439 11.6391 11.6391 13.1798 13.1798 13.9052 13.9052 15.0736 15.0736 16.4714 16.4714 18.1182 18.1182 k = 0.1731 0.5000-0.0000 ( 1854 PWs) bands (ev): -8.0388 -8.0388 -7.7643 -7.7643 4.0958 4.0958 4.1540 4.1540 4.8130 4.8130 5.8528 5.8528 5.9327 5.9327 6.6949 6.6949 9.2483 9.2483 9.8556 9.8556 10.0936 10.0936 10.2833 10.2833 10.9364 10.9364 11.2334 11.2334 11.6181 11.6181 13.1915 13.1915 13.8578 13.8578 15.0928 15.0928 16.4918 16.4918 18.2213 18.2213 k = 0.1827 0.5000-0.0000 ( 1854 PWs) bands (ev): -8.0214 -8.0214 -7.7718 -7.7718 4.0918 4.0918 4.1993 4.1993 4.8024 4.8024 5.7813 5.7813 5.9485 5.9485 6.7255 6.7255 9.2769 9.2769 9.8547 9.8547 10.0932 10.0932 10.2749 10.2749 10.9372 10.9372 11.2232 11.2232 11.5969 11.5969 13.2034 13.2034 13.8109 13.8109 15.1121 15.1121 16.5100 16.5100 18.3219 18.3219 k = 0.1923 0.5000-0.0000 ( 1850 PWs) bands (ev): -8.0035 -8.0035 -7.7794 -7.7794 4.0875 4.0875 4.2461 4.2461 4.7928 4.7928 5.7019 5.7019 5.9732 5.9732 6.7553 6.7553 9.2987 9.2987 9.8578 9.8578 10.0887 10.0887 10.2720 10.2720 10.9379 10.9379 11.2137 11.2137 11.5757 11.5757 13.2155 13.2155 13.7647 13.7647 15.1316 15.1316 16.5252 16.5252 18.4037 18.4037 k = 0.2019 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.9852 -7.9852 -7.7872 -7.7872 4.0830 4.0830 4.2943 4.2943 4.7842 4.7842 5.6214 5.6214 6.0006 6.0006 6.7840 6.7840 9.3124 9.3124 9.8649 9.8649 10.0807 10.0807 10.2757 10.2757 10.9381 10.9381 11.2052 11.2052 11.5549 11.5549 13.2278 13.2278 13.7194 13.7194 15.1513 15.1513 16.5369 16.5369 18.4475 18.4475 k = 0.2115 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.9666 -7.9666 -7.7950 -7.7950 4.0784 4.0784 4.3437 4.3437 4.7765 4.7765 5.5411 5.5411 6.0298 6.0298 6.8114 6.8114 9.3171 9.3171 9.8749 9.8749 10.0703 10.0703 10.2861 10.2861 10.9375 10.9375 11.1983 11.1983 11.5348 11.5348 13.2402 13.2402 13.6753 13.6753 15.1711 15.1711 16.5445 16.5445 18.4729 18.4729 k = 0.2212 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.9477 -7.9477 -7.8028 -7.8028 4.0735 4.0735 4.3940 4.3940 4.7698 4.7698 5.4619 5.4619 6.0604 6.0604 6.8375 6.8375 9.3129 9.3129 9.8861 9.8861 10.0588 10.0588 10.3037 10.3037 10.9357 10.9357 11.1932 11.1932 11.5158 11.5158 13.2526 13.2526 13.6325 13.6325 15.1911 15.1911 16.5476 16.5476 18.4956 18.4956 k = 0.2308 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.9288 -7.9288 -7.8104 -7.8104 4.0685 4.0685 4.4447 4.4447 4.7640 4.7640 5.3844 5.3844 6.0923 6.0923 6.8621 6.8621 9.3002 9.3002 9.8958 9.8958 10.0477 10.0477 10.3285 10.3285 10.9323 10.9323 11.1904 11.1904 11.4986 11.4986 13.2650 13.2650 13.5911 13.5911 15.2113 15.2113 16.5456 16.5456 18.5198 18.5198 k = 0.2404 0.5000-0.0000 ( 1850 PWs) bands (ev): -7.9101 -7.9101 -7.8176 -7.8176 4.0634 4.0634 4.4952 4.4952 4.7588 4.7588 5.3097 5.3097 6.1254 6.1254 6.8851 6.8851 9.2802 9.2802 9.9018 9.9018 10.0381 10.0381 10.3603 10.3603 10.9271 10.9271 11.1898 11.1898 11.4841 11.4841 13.2772 13.2772 13.5515 13.5515 15.2316 15.2316 16.5380 16.5380 18.5471 18.5471 k = 0.2500 0.5000-0.0000 ( 1850 PWs) bands (ev): -7.8922 -7.8922 -7.8238 -7.8238 4.0581 4.0581 4.5448 4.5448 4.7539 4.7539 5.2389 5.2389 6.1595 6.1595 6.9064 6.9064 9.2540 9.2540 9.9027 9.9027 10.0302 10.0302 10.3982 10.3982 10.9201 10.9201 11.1912 11.1912 11.4736 11.4736 13.2891 13.2891 13.5139 13.5139 15.2520 15.2520 16.5247 16.5247 18.5781 18.5781 k = 0.2596 0.5000-0.0000 ( 1850 PWs) bands (ev): -7.8768 -7.8768 -7.8276 -7.8276 4.0527 4.0527 4.5924 4.5924 4.7486 4.7486 5.1740 5.1740 6.1947 6.1947 6.9260 6.9260 9.2226 9.2226 9.8985 9.8985 10.0238 10.0238 10.4407 10.4407 10.9114 10.9114 11.1935 11.1935 11.4690 11.4690 13.3002 13.3002 13.4787 13.4787 15.2724 15.2724 16.5052 16.5052 18.6130 18.6130 k = 0.2692 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.8676 -7.8676 -7.8251 -7.8251 4.0473 4.0473 4.6361 4.6361 4.7414 4.7414 5.1182 5.1182 6.2309 6.2309 6.9439 6.9439 9.1869 9.1869 9.8903 9.8903 10.0180 10.0180 10.4856 10.4856 10.9015 10.9015 11.1954 11.1954 11.4726 11.4726 13.3100 13.3100 13.4465 13.4465 15.2929 15.2929 16.4794 16.4794 18.6520 18.6520 k = 0.2788 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.8670 -7.8670 -7.8139 -7.8139 4.0417 4.0417 4.6737 4.6737 4.7300 4.7300 5.0762 5.0762 6.2680 6.2680 6.9599 6.9599 9.1477 9.1477 9.8793 9.8793 10.0120 10.0120 10.5305 10.5305 10.8910 10.8910 11.1952 11.1952 11.4868 11.4868 13.3169 13.3169 13.4189 13.4189 15.3135 15.3135 16.4472 16.4472 18.6950 18.6950 k = 0.2885 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.8714 -7.8714 -7.7978 -7.7978 4.0361 4.0361 4.6989 4.6989 4.7147 4.7147 5.0538 5.0538 6.3059 6.3059 6.9742 6.9742 9.1056 9.1056 9.8664 9.8664 10.0054 10.0054 10.5730 10.5730 10.8805 10.8805 11.1918 11.1918 11.5137 11.5137 13.3178 13.3178 13.3992 13.3992 15.3339 15.3339 16.4087 16.4087 18.7420 18.7420 k = 0.2981 0.5000-0.0000 ( 1848 PWs) bands (ev): -7.8776 -7.8776 -7.7799 -7.7799 4.0305 4.0305 4.6759 4.6759 4.7279 4.7279 5.0542 5.0542 6.3446 6.3446 6.9867 6.9867 9.0613 9.0613 9.8522 9.8522 9.9978 9.9978 10.6107 10.6107 10.8712 10.8712 11.1848 11.1848 11.5540 11.5540 13.3087 13.3087 13.3910 13.3910 15.3542 15.3542 16.3639 16.3639 18.7928 18.7928 k = 0.3077 0.5000-0.0000 ( 1848 PWs) bands (ev): -7.8845 -7.8845 -7.7615 -7.7615 4.0249 4.0249 4.6348 4.6348 4.7424 4.7424 5.0747 5.0747 6.3840 6.3840 6.9974 6.9974 9.0150 9.0150 9.8373 9.8373 9.9895 9.9895 10.6416 10.6416 10.8643 10.8643 11.1747 11.1747 11.6076 11.6076 13.2914 13.2914 13.3929 13.3929 15.3744 15.3744 16.3128 16.3128 18.8471 18.8471 k = 0.3173 0.5000-0.0000 ( 1844 PWs) bands (ev): -7.8916 -7.8916 -7.7431 -7.7431 4.0193 4.0193 4.5864 4.5864 4.7532 4.7532 5.1092 5.1092 6.4240 6.4240 7.0064 7.0064 8.9674 8.9674 9.8218 9.8218 9.9805 9.9805 10.6640 10.6640 10.8610 10.8610 11.1623 11.1623 11.6735 11.6735 13.2705 13.2705 13.3999 13.3999 15.3943 15.3943 16.2557 16.2557 18.9048 18.9048 k = 0.3269 0.5000-0.0000 ( 1838 PWs) bands (ev): -7.8987 -7.8987 -7.7249 -7.7249 4.0138 4.0138 4.5344 4.5344 4.7619 4.7619 5.1521 5.1521 6.4645 6.4645 7.0139 7.0139 8.9187 8.9187 9.8058 9.8058 9.9710 9.9710 10.6771 10.6771 10.8623 10.8623 11.1484 11.1484 11.7504 11.7504 13.2491 13.2491 13.4091 13.4091 15.4139 15.4139 16.1928 16.1928 18.9654 18.9654 k = 0.3365 0.5000-0.0000 ( 1834 PWs) bands (ev): -7.9056 -7.9056 -7.7071 -7.7071 4.0083 4.0083 4.4813 4.4813 4.7697 4.7697 5.1998 5.1998 6.5053 6.5053 7.0198 7.0198 8.8692 8.8692 9.7893 9.7893 9.9613 9.9613 10.6816 10.6816 10.8678 10.8678 11.1336 11.1336 11.8369 11.8369 13.2284 13.2284 13.4191 13.4191 15.4331 15.4331 16.1244 16.1244 19.0287 19.0287 k = 0.3462 0.5000-0.0000 ( 1838 PWs) bands (ev): -7.9124 -7.9124 -7.6897 -7.6897 4.0029 4.0029 4.4285 4.4285 4.7771 4.7771 5.2498 5.2498 6.5463 6.5463 7.0243 7.0243 8.8193 8.8193 9.7723 9.7723 9.9515 9.9515 10.6793 10.6793 10.8763 10.8763 11.1184 11.1184 11.9315 11.9315 13.2088 13.2088 13.4295 13.4295 15.4518 15.4518 16.0506 16.0506 19.0943 19.0943 k = 0.3558 0.5000-0.0000 ( 1842 PWs) bands (ev): -7.9190 -7.9190 -7.6730 -7.6730 3.9976 3.9976 4.3771 4.3771 4.7844 4.7844 5.3008 5.3008 6.5875 6.5875 7.0275 7.0275 8.7694 8.7694 9.7549 9.7549 9.9418 9.9418 10.6726 10.6726 10.8863 10.8863 11.1032 11.1032 12.0328 12.0328 13.1906 13.1906 13.4399 13.4399 15.4699 15.4699 15.9718 15.9718 19.1619 19.1619 k = 0.3654 0.5000-0.0000 ( 1838 PWs) bands (ev): -7.9253 -7.9253 -7.6570 -7.6570 3.9924 3.9924 4.3277 4.3277 4.7917 4.7917 5.3517 5.3517 6.6285 6.6285 7.0296 7.0296 8.7197 8.7197 9.7372 9.7372 9.9326 9.9326 10.6632 10.6632 10.8965 10.8965 11.0883 11.0883 12.1397 12.1397 13.1739 13.1739 13.4503 13.4503 15.4874 15.4874 15.8884 15.8884 19.2311 19.2311 k = 0.3750 0.5000-0.0000 ( 1842 PWs) bands (ev): -7.9313 -7.9313 -7.6417 -7.6417 3.9873 3.9873 4.2808 4.2808 4.7990 4.7990 5.4018 5.4018 6.6693 6.6693 7.0306 7.0306 8.6704 8.6704 9.7192 9.7192 9.9238 9.9238 10.6523 10.6523 10.9062 10.9062 11.0739 11.0739 12.2509 12.2509 13.1585 13.1585 13.4605 13.4605 15.5042 15.5042 15.8007 15.8007 19.3016 19.3016 k = 0.3846 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.9369 -7.9369 -7.6272 -7.6272 3.9822 3.9822 4.2366 4.2366 4.8062 4.8062 5.4504 5.4504 6.7095 6.7095 7.0308 7.0308 8.6221 8.6221 9.7011 9.7011 9.9155 9.9155 10.6409 10.6409 10.9152 10.9152 11.0601 11.0601 12.3654 12.3654 13.1446 13.1446 13.4706 13.4706 15.5200 15.5200 15.7092 15.7092 19.3727 19.3727 k = 0.3942 0.5000-0.0000 ( 1850 PWs) bands (ev): -7.9422 -7.9422 -7.6136 -7.6136 3.9773 3.9773 4.1956 4.1956 4.8134 4.8134 5.4971 5.4971 6.7490 6.7490 7.0303 7.0303 8.5749 8.5749 9.6830 9.6830 9.9079 9.9079 10.6295 10.6295 10.9233 10.9233 11.0471 11.0471 12.4820 12.4820 13.1321 13.1321 13.4806 13.4806 15.5347 15.5347 15.6146 15.6146 19.4441 19.4441 k = 0.4038 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.9471 -7.9471 -7.6010 -7.6010 3.9724 3.9724 4.1580 4.1580 4.8203 4.8203 5.5413 5.5413 6.7874 6.7874 7.0293 7.0293 8.5293 8.5293 9.6652 9.6652 9.9011 9.9011 10.6184 10.6184 10.9305 10.9305 11.0350 11.0350 12.5997 12.5997 13.1210 13.1210 13.4906 13.4906 15.5148 15.5148 15.5508 15.5508 19.5152 19.5152 k = 0.4135 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.9516 -7.9516 -7.5895 -7.5895 3.9675 3.9675 4.1240 4.1240 4.8270 4.8270 5.5827 5.5827 6.8243 6.8243 7.0278 7.0278 8.4857 8.4857 9.6479 9.6479 9.8949 9.8949 10.6079 10.6079 10.9368 10.9368 11.0238 11.0238 12.7172 12.7172 13.1111 13.1111 13.5007 13.5007 15.4159 15.4159 15.5627 15.5627 19.5852 19.5852 k = 0.4231 0.5000-0.0000 ( 1850 PWs) bands (ev): -7.9557 -7.9557 -7.5790 -7.5790 3.9625 3.9625 4.0938 4.0938 4.8333 4.8333 5.6209 5.6209 6.8595 6.8595 7.0261 7.0261 8.4444 8.4444 9.6314 9.6314 9.8894 9.8894 10.5983 10.5983 10.9423 10.9423 11.0137 11.0137 12.8330 12.8330 13.1026 13.1026 13.5114 13.5114 15.3149 15.3149 15.5745 15.5745 19.6535 19.6535 k = 0.4327 0.5000-0.0000 ( 1854 PWs) bands (ev): -7.9593 -7.9593 -7.5696 -7.5696 3.9573 3.9573 4.0677 4.0677 4.8391 4.8391 5.6556 5.6556 6.8924 6.8924 7.0242 7.0242 8.4061 8.4061 9.6160 9.6160 9.8847 9.8847 10.5895 10.5895 10.9469 10.9469 11.0048 11.0048 12.9450 12.9450 13.0955 13.0955 13.5232 13.5232 15.2136 15.2136 15.5850 15.5850 19.7190 19.7190 k = 0.4423 0.5000-0.0000 ( 1846 PWs) bands (ev): -7.9624 -7.9624 -7.5613 -7.5613 3.9518 3.9518 4.0459 4.0459 4.8443 4.8443 5.6863 5.6863 6.9225 6.9225 7.0224 7.0224 8.3712 8.3712 9.6019 9.6019 9.8806 9.8806 10.5818 10.5818 10.9508 10.9508 10.9969 10.9969 13.0487 13.0487 13.0918 13.0918 13.5369 13.5369 15.1137 15.1137 15.5944 15.5944 19.7806 19.7806 k = 0.4519 0.5000-0.0000 ( 1842 PWs) bands (ev): -7.9651 -7.9651 -7.5543 -7.5543 3.9460 3.9460 4.0284 4.0284 4.8489 4.8489 5.7128 5.7128 6.9492 6.9492 7.0207 7.0207 8.3403 8.3403 9.5895 9.5895 9.8772 9.8772 10.5751 10.5751 10.9539 10.9539 10.9903 10.9903 13.0806 13.0806 13.1514 13.1514 13.5540 13.5540 15.0170 15.0170 15.6024 15.6024 19.8369 19.8369 k = 0.4615 0.5000-0.0000 ( 1842 PWs) bands (ev): -7.9674 -7.9674 -7.5485 -7.5485 3.9400 3.9400 4.0152 4.0152 4.8528 4.8528 5.7349 5.7349 6.9721 6.9721 7.0193 7.0193 8.3139 8.3139 9.5790 9.5790 9.8745 9.8745 10.5696 10.5696 10.9563 10.9563 10.9850 10.9850 13.0775 13.0775 13.2328 13.2328 13.5761 13.5761 14.9266 14.9266 15.6091 15.6091 19.8865 19.8865 k = 0.4712 0.5000-0.0000 ( 1842 PWs) bands (ev): -7.9691 -7.9691 -7.5440 -7.5440 3.9344 3.9344 4.0058 4.0058 4.8559 4.8559 5.7523 5.7523 6.9904 6.9904 7.0182 7.0182 8.2926 8.2926 9.5705 9.5705 9.8724 9.8724 10.5653 10.5653 10.9580 10.9580 10.9810 10.9810 13.0745 13.0745 13.2962 13.2962 13.6039 13.6039 14.8463 14.8463 15.6143 15.6143 19.9277 19.9277 k = 0.4808 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.9703 -7.9703 -7.5407 -7.5407 3.9298 3.9298 3.9997 3.9997 4.8581 4.8581 5.7649 5.7649 7.0034 7.0034 7.0180 7.0180 8.2770 8.2770 9.5643 9.5643 9.8709 9.8709 10.5622 10.5622 10.9591 10.9591 10.9782 10.9782 13.0722 13.0722 13.3388 13.3388 13.6338 13.6338 14.7816 14.7816 15.6180 15.6180 19.9586 19.9586 k = 0.4904 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.9711 -7.9711 -7.5388 -7.5388 3.9268 3.9268 3.9963 3.9963 4.8595 4.8595 5.7724 5.7724 7.0100 7.0100 7.0192 7.0192 8.2675 8.2675 9.5606 9.5606 9.8700 9.8700 10.5604 10.5604 10.9596 10.9596 10.9767 10.9767 13.0709 13.0709 13.3623 13.3623 13.6579 13.6579 14.7388 14.7388 15.6203 15.6203 19.9779 19.9779 k = 0.5000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.9713 -7.9713 -7.5381 -7.5381 3.9258 3.9258 3.9952 3.9952 4.8600 4.8600 5.7750 5.7750 7.0115 7.0115 7.0203 7.0203 8.2643 8.2643 9.5593 9.5593 9.8697 9.8697 10.5598 10.5598 10.9598 10.9598 10.9762 10.9762 13.0704 13.0704 13.3697 13.3697 13.6672 13.6672 14.7238 14.7238 15.6210 15.6210 19.9845 19.9845 k = 0.5000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.9713 -7.9713 -7.5381 -7.5381 3.9258 3.9258 3.9952 3.9952 4.8600 4.8600 5.7750 5.7750 7.0115 7.0115 7.0203 7.0203 8.2643 8.2643 9.5593 9.5593 9.8697 9.8697 10.5598 10.5598 10.9598 10.9598 10.9762 10.9762 13.0704 13.0704 13.3697 13.3697 13.6672 13.6672 14.7238 14.7238 15.6210 15.6210 19.9845 19.9845 k = 0.4932 0.4932-0.0000 ( 1840 PWs) bands (ev): -7.9711 -7.9711 -7.5388 -7.5388 3.9269 3.9269 3.9963 3.9963 4.8595 4.8595 5.7724 5.7724 7.0098 7.0098 7.0193 7.0193 8.2675 8.2675 9.5606 9.5606 9.8700 9.8700 10.5604 10.5604 10.9596 10.9596 10.9767 10.9767 13.0709 13.0709 13.3623 13.3623 13.6577 13.6577 14.7391 14.7391 15.6203 15.6203 19.9778 19.9778 k = 0.4863 0.4863-0.0000 ( 1841 PWs) bands (ev): -7.9703 -7.9703 -7.5408 -7.5408 3.9301 3.9301 3.9996 3.9996 4.8581 4.8581 5.7647 5.7647 7.0015 7.0015 7.0197 7.0197 8.2772 8.2772 9.5644 9.5644 9.8709 9.8709 10.5623 10.5623 10.9583 10.9583 10.9790 10.9790 13.0723 13.0723 13.3397 13.3397 13.6315 13.6315 14.7829 14.7829 15.6180 15.6180 19.9584 19.9584 k = 0.4795 0.4795-0.0000 ( 1841 PWs) bands (ev): -7.9691 -7.9691 -7.5441 -7.5441 3.9355 3.9355 4.0051 4.0051 4.8558 4.8558 5.7519 5.7519 6.9858 6.9858 7.0227 7.0227 8.2929 8.2929 9.5707 9.5707 9.8724 9.8724 10.5653 10.5653 10.9551 10.9551 10.9840 10.9840 13.0745 13.0745 13.3013 13.3013 13.5948 13.5948 14.8501 14.8501 15.6142 15.6142 19.9273 19.9273 k = 0.4726 0.4726-0.0000 ( 1841 PWs) bands (ev): -7.9673 -7.9673 -7.5487 -7.5487 3.9430 3.9430 4.0128 4.0128 4.8526 4.8526 5.7342 5.7342 6.9639 6.9639 7.0274 7.0274 8.3142 8.3142 9.5794 9.5794 9.8744 9.8744 10.5695 10.5695 10.9497 10.9497 10.9921 10.9921 13.0775 13.0775 13.2469 13.2469 13.5532 13.5532 14.9347 14.9347 15.6089 15.6089 19.8866 19.8866 k = 0.4658 0.4658-0.0000 ( 1847 PWs) bands (ev): -7.9650 -7.9650 -7.5546 -7.5546 3.9526 3.9526 4.0227 4.0227 4.8486 4.8486 5.7117 5.7117 6.9367 6.9367 7.0337 7.0337 8.3403 8.3403 9.5904 9.5904 9.8770 9.8770 10.5746 10.5746 10.9423 10.9423 11.0029 11.0029 13.0808 13.0808 13.1788 13.1788 13.5104 13.5104 15.0319 15.0319 15.6022 15.6022 19.8382 19.8382 k = 0.4589 0.4589-0.0000 ( 1853 PWs) bands (ev): -7.9623 -7.9623 -7.5618 -7.5618 3.9643 3.9643 4.0347 4.0347 4.8437 4.8437 5.6845 5.6845 6.9049 6.9049 7.0415 7.0415 8.3706 8.3706 9.6035 9.6035 9.8800 9.8800 10.5805 10.5805 10.9332 10.9332 11.0165 11.0165 13.0764 13.0764 13.1077 13.1077 13.4669 13.4669 15.1378 15.1378 15.5941 15.5941 19.7842 19.7842 k = 0.4521 0.4521-0.0000 ( 1849 PWs) bands (ev): -7.9590 -7.9590 -7.5703 -7.5703 3.9782 3.9782 4.0489 4.0489 4.8380 4.8380 5.6529 5.6529 6.8692 6.8692 7.0506 7.0506 8.4045 8.4045 9.6186 9.6186 9.8835 9.8835 10.5871 10.5871 10.9225 10.9225 11.0326 11.0326 13.0043 13.0043 13.0973 13.0973 13.4223 13.4223 15.2494 15.2494 15.5848 15.5848 19.7264 19.7264 k = 0.4452 0.4452-0.0000 ( 1845 PWs) bands (ev): -7.9553 -7.9553 -7.5800 -7.5800 3.9941 3.9941 4.0652 4.0652 4.8316 4.8316 5.6172 5.6172 6.8302 6.8302 7.0612 7.0612 8.4413 8.4413 9.6354 9.6354 9.8873 9.8873 10.5941 10.5941 10.9104 10.9104 11.0513 11.0513 12.9114 12.9114 13.1030 13.1030 13.3760 13.3760 15.3646 15.3646 15.5744 15.5744 19.6663 19.6663 k = 0.4384 0.4384-0.0000 ( 1845 PWs) bands (ev): -7.9510 -7.9510 -7.5910 -7.5910 4.0119 4.0119 4.0835 4.0835 4.8244 4.8244 5.5777 5.5777 6.7885 6.7885 7.0731 7.0731 8.4803 8.4803 9.6539 9.6539 9.8914 9.8914 10.6013 10.6013 10.8972 10.8972 11.0724 11.0724 12.8144 12.8144 13.1102 13.1102 13.3275 13.3275 15.4801 15.4801 15.5648 15.5648 19.6052 19.6052 k = 0.4315 0.4315-0.0000 ( 1849 PWs) bands (ev): -7.9464 -7.9464 -7.6031 -7.6031 4.0318 4.0318 4.1039 4.1039 4.8166 4.8166 5.5346 5.5346 6.7445 6.7445 7.0864 7.0864 8.5210 8.5210 9.6737 9.6737 9.8956 9.8956 10.6085 10.6085 10.8829 10.8829 11.0959 11.0959 12.7156 12.7156 13.1175 13.1175 13.2771 13.2771 15.5419 15.5419 15.6086 15.6086 19.5443 19.5443 k = 0.4247 0.4247-0.0000 ( 1849 PWs) bands (ev): -7.9412 -7.9412 -7.6164 -7.6164 4.0536 4.0536 4.1262 4.1262 4.8082 4.8082 5.4883 5.4883 6.6987 6.6987 7.1009 7.1009 8.5629 8.5629 9.6947 9.6947 9.8998 9.8998 10.6153 10.6153 10.8680 10.8680 11.1215 11.1215 12.6162 12.6162 13.1223 13.1223 13.2273 13.2273 15.5311 15.5311 15.7236 15.7236 19.4844 19.4844 k = 0.4178 0.4178-0.0000 ( 1849 PWs) bands (ev): -7.9356 -7.9356 -7.6308 -7.6308 4.0772 4.0772 4.1504 4.1504 4.7992 4.7992 5.4392 5.4392 6.6515 6.6515 7.1166 7.1166 8.6057 8.6057 9.7168 9.7168 9.9038 9.9038 10.6216 10.6216 10.8527 10.8527 11.1493 11.1493 12.5171 12.5171 13.1132 13.1132 13.1893 13.1893 15.5164 15.5164 15.8402 15.8402 19.4262 19.4262 k = 0.4110 0.4110-0.0000 ( 1849 PWs) bands (ev): -7.9296 -7.9296 -7.6463 -7.6463 4.1026 4.1026 4.1765 4.1765 4.7896 4.7896 5.3877 5.3877 6.6032 6.6032 7.1335 7.1335 8.6489 8.6489 9.7397 9.7397 9.9076 9.9076 10.6269 10.6269 10.8372 10.8372 11.1789 11.1789 12.4191 12.4191 13.0725 13.0725 13.1810 13.1810 15.5003 15.5003 15.9550 15.9550 19.3702 19.3702 k = 0.4041 0.4041-0.0000 ( 1845 PWs) bands (ev): -7.9232 -7.9232 -7.6629 -7.6629 4.1297 4.1297 4.2043 4.2043 4.7795 4.7795 5.3343 5.3343 6.5540 6.5540 7.1516 7.1516 8.6922 8.6922 9.7633 9.7633 9.9108 9.9108 10.6311 10.6311 10.8220 10.8220 11.2102 11.2102 12.3226 12.3226 13.0133 13.0133 13.1896 13.1896 15.4834 15.4834 16.0665 16.0665 19.3169 19.3169 k = 0.3973 0.3973-0.0000 ( 1849 PWs) bands (ev): -7.9164 -7.9164 -7.6804 -7.6804 4.1583 4.1583 4.2338 4.2338 4.7689 4.7689 5.2794 5.2794 6.5041 6.5041 7.1706 7.1706 8.7352 8.7352 9.7873 9.7873 9.9132 9.9132 10.6339 10.6339 10.8074 10.8074 11.2429 11.2429 12.2283 12.2283 12.9470 12.9470 13.2037 13.2037 15.4656 15.4656 16.1737 16.1737 19.2666 19.2666 k = 0.3904 0.3904-0.0000 ( 1845 PWs) bands (ev): -7.9092 -7.9092 -7.6989 -7.6989 4.1882 4.1882 4.2648 4.2648 4.7576 4.7576 5.2238 5.2238 6.4539 6.4539 7.1907 7.1907 8.7779 8.7779 9.8116 9.8116 9.9146 9.9146 10.6351 10.6351 10.7936 10.7936 11.2767 11.2767 12.1365 12.1365 12.8767 12.8767 13.2206 13.2206 15.4471 15.4471 16.2754 16.2754 19.2197 19.2197 k = 0.3836 0.3836-0.0000 ( 1849 PWs) bands (ev): -7.9017 -7.9017 -7.7182 -7.7182 4.2192 4.2192 4.2972 4.2972 4.7455 4.7455 5.1681 5.1681 6.4034 6.4034 7.2116 7.2116 8.8199 8.8199 9.8360 9.8360 9.9148 9.9148 10.6346 10.6346 10.7807 10.7807 11.3112 11.3112 12.0478 12.0478 12.8035 12.8035 13.2395 13.2395 15.4282 15.4282 16.3706 16.3706 19.1761 19.1761 k = 0.3767 0.3767-0.0000 ( 1841 PWs) bands (ev): -7.8940 -7.8940 -7.7382 -7.7382 4.2508 4.2508 4.3307 4.3307 4.7326 4.7326 5.1135 5.1135 6.3528 6.3528 7.2333 7.2333 8.8610 8.8610 9.8599 9.8599 9.9139 9.9139 10.6328 10.6328 10.7686 10.7686 11.3460 11.3460 11.9628 11.9628 12.7278 12.7278 13.2603 13.2603 15.4088 15.4088 16.4580 16.4580 19.1362 19.1362 k = 0.3699 0.3699-0.0000 ( 1831 PWs) bands (ev): -7.8863 -7.8863 -7.7587 -7.7587 4.2823 4.2823 4.3653 4.3653 4.7186 4.7186 5.0612 5.0612 6.3023 6.3023 7.2558 7.2558 8.9010 8.9010 9.8812 9.8812 9.9135 9.9135 10.6300 10.6300 10.7570 10.7570 11.3805 11.3805 11.8821 11.8821 12.6501 12.6501 13.2828 13.2828 15.3893 15.3893 16.5365 16.5365 19.0998 19.0998 k = 0.3630 0.3630-0.0000 ( 1831 PWs) bands (ev): -7.8788 -7.8788 -7.7795 -7.7795 4.3127 4.3127 4.4005 4.4005 4.7032 4.7032 5.0130 5.0130 6.2519 6.2519 7.2790 7.2790 8.9398 8.9398 9.8909 9.8909 9.9220 9.9220 10.6268 10.6268 10.7451 10.7451 11.4138 11.4138 11.8070 11.8070 12.5709 12.5709 13.3069 13.3069 15.3695 15.3695 16.6052 16.6052 19.0670 19.0670 k = 0.3562 0.3562-0.0000 ( 1823 PWs) bands (ev): -7.8724 -7.8724 -7.7996 -7.7996 4.3400 4.3400 4.4363 4.4363 4.6866 4.6866 4.9710 4.9710 6.2017 6.2017 7.3028 7.3028 8.9772 8.9772 9.8860 9.8860 9.9424 9.9424 10.6239 10.6239 10.7323 10.7323 11.4440 11.4440 11.7393 11.7393 12.4905 12.4905 13.3327 13.3327 15.3496 15.3496 16.6630 16.6630 19.0377 19.0377 k = 0.3493 0.3493-0.0000 ( 1819 PWs) bands (ev): -7.8695 -7.8695 -7.8164 -7.8164 4.3611 4.3611 4.4720 4.4720 4.6701 4.6701 4.9377 4.9377 6.1518 6.1518 7.3271 7.3271 9.0131 9.0131 9.8750 9.8750 9.9656 9.9656 10.6218 10.6218 10.7178 10.7178 11.4671 11.4671 11.6832 11.6832 12.4093 12.4093 13.3601 13.3601 15.3299 15.3299 16.7093 16.7093 19.0119 19.0119 k = 0.3425 0.3425-0.0000 ( 1823 PWs) bands (ev): -7.8758 -7.8758 -7.8245 -7.8245 4.3714 4.3714 4.5070 4.5070 4.6572 4.6572 4.9151 4.9151 6.1023 6.1023 7.3519 7.3519 9.0472 9.0472 9.8602 9.8602 9.9894 9.9894 10.6208 10.6208 10.7009 10.7009 11.4747 11.4747 11.6474 11.6474 12.3278 12.3278 13.3891 13.3891 15.3103 15.3103 16.7435 16.7435 18.9894 18.9894 k = 0.3356 0.3356-0.0000 ( 1825 PWs) bands (ev): -7.8926 -7.8926 -7.8224 -7.8224 4.3660 4.3660 4.5394 4.5394 4.6536 4.6536 4.9043 4.9043 6.0534 6.0534 7.3771 7.3771 9.0793 9.0793 9.8422 9.8422 10.0130 10.0130 10.6207 10.6207 10.6817 10.6817 11.4583 11.4583 11.6403 11.6403 12.2462 12.2462 13.4197 13.4197 15.2910 15.2910 16.7653 16.7653 18.9702 18.9702 k = 0.3288 0.3288-0.0000 ( 1821 PWs) bands (ev): -7.9148 -7.9148 -7.8152 -7.8152 4.3428 4.3428 4.5658 4.5658 4.6647 4.6647 4.9056 4.9056 6.0049 6.0049 7.4026 7.4026 9.1094 9.1094 9.8212 9.8212 10.0363 10.0363 10.6192 10.6192 10.6619 10.6619 11.4248 11.4248 11.6549 11.6549 12.1652 12.1652 13.4518 13.4518 15.2721 15.2721 16.7750 16.7750 18.9541 18.9541 k = 0.3219 0.3219-0.0000 ( 1821 PWs) bands (ev): -7.9392 -7.9392 -7.8059 -7.8059 4.3042 4.3042 4.5834 4.5834 4.6915 4.6915 4.9185 4.9185 5.9571 5.9571 7.4283 7.4283 9.1369 9.1369 9.7979 9.7979 10.0591 10.0591 10.6078 10.6078 10.6498 10.6498 11.3863 11.3863 11.6790 11.6790 12.0852 12.0852 13.4855 13.4855 15.2538 15.2538 16.7728 16.7728 18.9411 18.9411 k = 0.3151 0.3151-0.0000 ( 1827 PWs) bands (ev): -7.9648 -7.9648 -7.7957 -7.7957 4.2547 4.2547 4.5935 4.5935 4.7295 4.7295 4.9417 4.9417 5.9099 5.9099 7.4543 7.4543 9.1618 9.1618 9.7725 9.7725 10.0812 10.0812 10.5812 10.5812 10.6507 10.6507 11.3486 11.3486 11.7061 11.7061 12.0069 12.0069 13.5206 13.5206 15.2361 15.2361 16.7592 16.7592 18.9313 18.9313 k = 0.3082 0.3082-0.0000 ( 1839 PWs) bands (ev): -7.9912 -7.9912 -7.7849 -7.7849 4.1979 4.1979 4.5988 4.5988 4.7739 4.7739 4.9736 4.9736 5.8634 5.8634 7.4803 7.4803 9.1834 9.1834 9.7459 9.7459 10.1025 10.1025 10.5463 10.5463 10.6576 10.6576 11.3135 11.3135 11.7335 11.7335 11.9309 11.9309 13.5572 13.5572 15.2192 15.2192 16.7350 16.7350 18.9245 18.9245 k = 0.3014 0.3014-0.0000 ( 1845 PWs) bands (ev): -8.0182 -8.0182 -7.7736 -7.7736 4.1366 4.1366 4.6009 4.6009 4.8222 4.8222 5.0125 5.0125 5.8178 5.8178 7.5065 7.5065 9.2013 9.2013 9.7188 9.7188 10.1228 10.1228 10.5069 10.5069 10.6670 10.6670 11.2812 11.2812 11.7587 11.7587 11.8593 11.8593 13.5951 13.5951 15.2030 15.2030 16.7012 16.7012 18.9210 18.9210 k = 0.2945 0.2945-0.0000 ( 1849 PWs) bands (ev): -8.0456 -8.0456 -7.7620 -7.7620 4.0724 4.0724 4.6009 4.6009 4.8730 4.8730 5.0569 5.0569 5.7730 5.7730 7.5327 7.5327 9.2148 9.2148 9.6921 9.6921 10.1414 10.1414 10.4646 10.4646 10.6777 10.6777 11.2515 11.2515 11.7650 11.7650 11.8089 11.8089 13.6344 13.6344 15.1879 15.1879 16.6586 16.6586 18.9206 18.9206 k = 0.2877 0.2877-0.0000 ( 1841 PWs) bands (ev): -8.0733 -8.0733 -7.7501 -7.7501 4.0063 4.0063 4.5995 4.5995 4.9258 4.9258 5.1056 5.1056 5.7293 5.7293 7.5588 7.5588 9.2231 9.2231 9.6669 9.6669 10.1578 10.1578 10.4212 10.4212 10.6891 10.6891 11.2235 11.2235 11.7124 11.7124 11.8200 11.8200 13.6748 13.6748 15.1737 15.1737 16.6084 16.6084 18.9235 18.9235 k = 0.2808 0.2808-0.0000 ( 1841 PWs) bands (ev): -8.1013 -8.1013 -7.7379 -7.7379 3.9392 3.9392 4.5974 4.5974 4.9800 4.9800 5.1577 5.1577 5.6867 5.6867 7.5848 7.5848 9.2253 9.2253 9.6441 9.6441 10.1701 10.1701 10.3789 10.3789 10.7004 10.7004 11.1967 11.1967 11.6526 11.6526 11.8414 11.8414 13.7165 13.7165 15.1607 15.1607 16.5514 16.5514 18.9296 18.9296 k = 0.2740 0.2740-0.0000 ( 1845 PWs) bands (ev): -8.1295 -8.1295 -7.7256 -7.7256 3.8714 3.8714 4.5949 4.5949 5.0350 5.0350 5.2126 5.2126 5.6455 5.6455 7.6107 7.6107 9.2208 9.2208 9.6246 9.6246 10.1748 10.1748 10.3419 10.3419 10.7110 10.7110 11.1705 11.1705 11.5972 11.5972 11.8621 11.8621 13.7591 13.7591 15.1488 15.1488 16.4885 16.4885 18.9388 18.9388 k = 0.2671 0.2671-0.0000 ( 1843 PWs) bands (ev): -8.1577 -8.1577 -7.7132 -7.7132 3.8034 3.8034 4.5922 4.5922 5.0904 5.0904 5.2698 5.2698 5.6062 5.6062 7.6364 7.6364 9.2092 9.2092 9.6089 9.6089 10.1660 10.1660 10.3164 10.3164 10.7203 10.7203 11.1445 11.1445 11.5477 11.5477 11.8812 11.8812 13.8027 13.8027 15.1381 15.1381 16.4206 16.4206 18.9513 18.9513 k = 0.2603 0.2603-0.0000 ( 1843 PWs) bands (ev): -8.1860 -8.1860 -7.7006 -7.7006 3.7356 3.7356 4.5895 4.5895 5.1453 5.1453 5.3289 5.3289 5.5695 5.5695 7.6618 7.6618 9.1906 9.1906 9.5968 9.5968 10.1399 10.1399 10.3067 10.3067 10.7274 10.7274 11.1191 11.1191 11.5046 11.5046 11.8982 11.8982 13.8472 13.8472 15.1287 15.1287 16.3486 16.3486 18.9668 18.9668 k = 0.2534 0.2534-0.0000 ( 1843 PWs) bands (ev): -8.2144 -8.2144 -7.6879 -7.6879 3.6680 3.6680 4.5869 4.5869 5.1982 5.1982 5.3893 5.3893 5.5370 5.5370 7.6869 7.6869 9.1657 9.1657 9.5877 9.5877 10.1007 10.1007 10.3087 10.3087 10.7318 10.7318 11.0949 11.0949 11.4680 11.4680 11.9131 11.9131 13.8924 13.8924 15.1206 15.1206 16.2732 16.2732 18.9853 18.9853 k = 0.2466 0.2466-0.0000 ( 1843 PWs) bands (ev): -8.2426 -8.2426 -7.6752 -7.6752 3.6010 3.6010 4.5846 4.5846 5.2458 5.2458 5.4498 5.4498 5.5131 5.5131 7.7117 7.7117 9.1354 9.1354 9.5805 9.5805 10.0547 10.0547 10.3162 10.3162 10.7326 10.7326 11.0730 11.0730 11.4376 11.4376 11.9258 11.9258 13.9383 13.9383 15.1138 15.1138 16.1949 16.1949 19.0067 19.0067 k = 0.2397 0.2397-0.0000 ( 1843 PWs) bands (ev): -8.2708 -8.2708 -7.6624 -7.6624 3.5346 3.5346 4.5825 4.5825 5.2814 5.2814 5.4902 5.4902 5.5243 5.5243 7.7361 7.7361 9.1009 9.1009 9.5740 9.5740 10.0055 10.0055 10.3258 10.3258 10.7298 10.7298 11.0543 11.0543 11.4129 11.4129 11.9363 11.9363 13.9846 13.9846 15.1084 15.1084 16.1145 16.1145 19.0309 19.0309 k = 0.2329 0.2329-0.0000 ( 1845 PWs) bands (ev): -8.2988 -8.2988 -7.6496 -7.6496 3.4691 3.4691 4.5808 4.5808 5.2959 5.2959 5.5059 5.5059 5.5843 5.5843 7.7600 7.7600 9.0631 9.0631 9.5671 9.5671 9.9549 9.9549 10.3358 10.3358 10.7234 10.7234 11.0395 11.0395 11.3932 11.3932 11.9445 11.9445 14.0313 14.0313 15.1043 15.1043 16.0325 16.0325 19.0577 19.0577 k = 0.2260 0.2260-0.0000 ( 1851 PWs) bands (ev): -8.3266 -8.3266 -7.6369 -7.6369 3.4045 3.4045 4.5795 4.5795 5.2882 5.2882 5.5411 5.5411 5.6494 5.6494 7.7834 7.7834 9.0228 9.0228 9.5588 9.5588 9.9037 9.9037 10.3452 10.3452 10.7145 10.7145 11.0286 11.0286 11.3778 11.3778 11.9505 11.9505 14.0782 14.0782 15.1016 15.1016 15.9493 15.9493 19.0869 19.0869 k = 0.2192 0.2192-0.0000 ( 1851 PWs) bands (ev): -8.3541 -8.3541 -7.6241 -7.6241 3.3410 3.3410 4.5785 4.5785 5.2671 5.2671 5.5907 5.5907 5.7160 5.7160 7.8062 7.8062 8.9808 8.9808 9.5482 9.5482 9.8524 9.8524 10.3537 10.3537 10.7044 10.7044 11.0208 11.0208 11.3664 11.3664 11.9544 11.9544 14.1253 14.1253 15.1002 15.1002 15.8655 15.8655 19.1185 19.1185 k = 0.2123 0.2123-0.0000 ( 1851 PWs) bands (ev): -8.3813 -8.3813 -7.6114 -7.6114 3.2786 3.2786 4.5779 4.5779 5.2400 5.2400 5.6477 5.6477 5.7835 5.7835 7.8285 7.8285 8.9375 8.9375 9.5348 9.5348 9.8012 9.8012 10.3612 10.3612 10.6946 10.6946 11.0151 11.0151 11.3585 11.3585 11.9561 11.9561 14.1723 14.1723 15.1000 15.1000 15.7815 15.7815 19.1521 19.1521 k = 0.2055 0.2055-0.0000 ( 1851 PWs) bands (ev): -8.4081 -8.4081 -7.5988 -7.5988 3.2174 3.2174 4.5777 4.5777 5.2103 5.2103 5.7086 5.7086 5.8518 5.8518 7.8502 7.8502 8.8933 8.8933 9.5181 9.5181 9.7504 9.7504 10.3678 10.3678 10.6863 10.6863 11.0104 11.0104 11.3539 11.3539 11.9559 11.9559 14.2191 14.2191 15.1010 15.1010 15.6977 15.6977 19.1876 19.1876 k = 0.1986 0.1986-0.0000 ( 1859 PWs) bands (ev): -8.4345 -8.4345 -7.5863 -7.5863 3.1575 3.1575 4.5779 4.5779 5.1796 5.1796 5.7717 5.7717 5.9207 5.9207 7.8712 7.8712 8.8486 8.8486 9.4980 9.4980 9.6999 9.6999 10.3739 10.3739 10.6801 10.6801 11.0060 11.0060 11.3523 11.3523 11.9537 11.9537 14.2656 14.2656 15.1030 15.1030 15.6145 15.6145 19.2247 19.2247 k = 0.1918 0.1918-0.0000 ( 1865 PWs) bands (ev): -8.4605 -8.4605 -7.5740 -7.5740 3.0991 3.0991 4.5784 4.5784 5.1489 5.1489 5.8362 5.8362 5.9902 5.9902 7.8915 7.8915 8.8035 8.8035 9.4743 9.4743 9.6500 9.6500 10.3798 10.3798 10.6764 10.6764 11.0010 11.0010 11.3534 11.3534 11.9496 11.9496 14.3116 14.3116 15.1060 15.1060 15.5324 15.5324 19.2632 19.2632 k = 0.1849 0.1849-0.0000 ( 1873 PWs) bands (ev): -8.4860 -8.4860 -7.5618 -7.5618 3.0422 3.0422 4.5792 4.5792 5.1184 5.1184 5.9016 5.9016 6.0601 6.0601 7.9110 7.9110 8.7584 8.7584 9.4471 9.4471 9.6007 9.6007 10.3861 10.3861 10.6750 10.6750 10.9950 10.9950 11.3571 11.3571 11.9439 11.9439 14.3570 14.3570 15.1095 15.1095 15.4520 15.4520 19.3025 19.3025 k = 0.1781 0.1781-0.0000 ( 1875 PWs) bands (ev): -8.5109 -8.5109 -7.5498 -7.5498 2.9867 2.9867 4.5803 4.5803 5.0885 5.0885 5.9676 5.9676 6.1303 6.1303 7.9298 7.9298 8.7133 8.7133 9.4165 9.4165 9.5523 9.5523 10.3930 10.3930 10.6758 10.6758 10.9879 10.9879 11.3630 11.3630 11.9365 11.9365 14.4015 14.4015 15.1129 15.1129 15.3742 15.3742 19.3406 19.3406 k = 0.1712 0.1712-0.0000 ( 1867 PWs) bands (ev): -8.5353 -8.5353 -7.5379 -7.5379 2.9329 2.9329 4.5818 4.5818 5.0593 5.0593 6.0340 6.0340 6.2008 6.2008 7.9479 7.9479 8.6684 8.6684 9.3827 9.3827 9.5050 9.5050 10.4010 10.4010 10.6783 10.6783 10.9796 10.9796 11.3708 11.3708 11.9278 11.9278 14.4450 14.4450 15.1145 15.1145 15.3010 15.3010 19.3434 19.3434 k = 0.1644 0.1644-0.0000 ( 1867 PWs) bands (ev): -8.5590 -8.5590 -7.5264 -7.5264 2.8808 2.8808 4.5834 4.5834 5.0310 5.0310 6.1007 6.1007 6.2714 6.2714 7.9650 7.9650 8.6237 8.6237 9.3455 9.3455 9.4594 9.4594 10.4100 10.4100 10.6821 10.6821 10.9701 10.9701 11.3802 11.3802 11.9178 11.9178 14.4871 14.4871 15.1094 15.1094 15.2376 15.2376 19.2206 19.2206 k = 0.1575 0.1575-0.0000 ( 1867 PWs) bands (ev): -8.5821 -8.5821 -7.5151 -7.5151 2.8304 2.8304 4.5853 4.5853 5.0035 5.0035 6.1674 6.1674 6.3421 6.3421 7.9813 7.9813 8.5794 8.5794 9.3052 9.3052 9.4158 9.4158 10.4201 10.4201 10.6867 10.6867 10.9595 10.9595 11.3910 11.3910 11.9066 11.9066 14.5275 14.5275 15.0847 15.0847 15.1974 15.1974 19.0842 19.0842 k = 0.1507 0.1507-0.0000 ( 1871 PWs) bands (ev): -8.6045 -8.6045 -7.5040 -7.5040 2.7817 2.7817 4.5874 4.5874 4.9771 4.9771 6.2341 6.2341 6.4127 6.4127 7.9967 7.9967 8.5355 8.5355 9.2619 9.2619 9.3745 9.3745 10.4313 10.4313 10.6920 10.6920 10.9481 10.9481 11.4028 11.4028 11.8945 11.8945 14.5654 14.5654 15.0357 15.0357 15.1858 15.1858 18.9494 18.9494 k = 0.1438 0.1438-0.0000 ( 1867 PWs) bands (ev): -8.6261 -8.6261 -7.4933 -7.4933 2.7349 2.7349 4.5895 4.5895 4.9517 4.9517 6.3006 6.3006 6.4832 6.4832 8.0112 8.0112 8.4922 8.4922 9.2160 9.2160 9.3356 9.3356 10.4433 10.4433 10.6976 10.6976 10.9360 10.9360 11.4154 11.4154 11.8815 11.8815 14.5998 14.5998 14.9779 14.9779 15.1882 15.1882 18.8176 18.8176 k = 0.1370 0.1370-0.0000 ( 1867 PWs) bands (ev): -8.6469 -8.6469 -7.4829 -7.4829 2.6900 2.6900 4.5918 4.5918 4.9275 4.9275 6.3668 6.3668 6.5535 6.5535 8.0246 8.0246 8.4494 8.4494 9.1680 9.1680 9.2989 9.2989 10.4561 10.4561 10.7033 10.7033 10.9235 10.9235 11.4285 11.4285 11.8680 11.8680 14.6283 14.6283 14.9227 14.9227 15.1959 15.1959 18.6890 18.6890 k = 0.1301 0.1301-0.0000 ( 1867 PWs) bands (ev): -8.6670 -8.6670 -7.4729 -7.4729 2.6469 2.6469 4.5940 4.5940 4.9044 4.9044 6.4327 6.4327 6.6235 6.6235 8.0368 8.0368 8.4072 8.4072 9.1185 9.1185 9.2643 9.2643 10.4692 10.4692 10.7089 10.7089 10.9106 10.9106 11.4420 11.4420 11.8539 11.8539 14.6461 14.6461 14.8775 14.8775 15.2060 15.2060 18.5642 18.5642 k = 0.1233 0.1233-0.0000 ( 1863 PWs) bands (ev): -8.6862 -8.6862 -7.4632 -7.4632 2.6059 2.6059 4.5962 4.5962 4.8826 4.8826 6.4982 6.4982 6.6930 6.6930 8.0478 8.0478 8.3658 8.3658 9.0679 9.0679 9.2316 9.2316 10.4826 10.4826 10.7145 10.7145 10.8977 10.8977 11.4557 11.4557 11.8396 11.8396 14.6451 14.6451 14.8514 14.8514 15.2176 15.2176 18.4432 18.4432 k = 0.1164 0.1164-0.0000 ( 1857 PWs) bands (ev): -8.7046 -8.7046 -7.4539 -7.4539 2.5668 2.5668 4.5983 4.5983 4.8621 4.8621 6.5632 6.5632 6.7619 6.7619 8.0573 8.0573 8.3255 8.3255 9.0167 9.0167 9.2007 9.2007 10.4960 10.4960 10.7198 10.7198 10.8848 10.8848 11.4694 11.4694 11.8252 11.8252 14.6215 14.6215 14.8488 14.8488 15.2301 15.2301 18.3264 18.3264 k = 0.1096 0.1096-0.0000 ( 1853 PWs) bands (ev): -8.7220 -8.7220 -7.4450 -7.4450 2.5298 2.5298 4.6002 4.6002 4.8429 4.8429 6.6275 6.6275 6.8302 6.8302 8.0648 8.0648 8.2868 8.2868 8.9652 8.9652 9.1714 9.1714 10.5091 10.5091 10.7249 10.7249 10.8721 10.8721 11.4830 11.4830 11.8108 11.8108 14.5825 14.5825 14.8625 14.8625 15.2433 15.2433 18.2139 18.2139 k = 0.1027 0.1027-0.0000 ( 1857 PWs) bands (ev): -8.7386 -8.7386 -7.4366 -7.4366 2.4948 2.4948 4.6019 4.6019 4.8251 4.8251 6.6912 6.6912 6.8977 6.8977 8.0694 8.0694 8.2503 8.2503 8.9137 8.9137 9.1438 9.1438 10.5216 10.5216 10.7297 10.7297 10.8599 10.8599 11.4963 11.4963 11.7966 11.7966 14.5371 14.5371 14.8838 14.8838 15.2569 15.2569 18.1061 18.1061 k = 0.0959 0.0959-0.0000 ( 1853 PWs) bands (ev): -8.7542 -8.7542 -7.4286 -7.4286 2.4620 2.4620 4.6033 4.6033 4.8087 4.8087 6.7541 6.7541 6.9642 6.9642 8.0695 8.0695 8.2178 8.2178 8.8622 8.8622 9.1179 9.1179 10.5335 10.5335 10.7343 10.7343 10.8482 10.8482 11.5093 11.5093 11.7828 11.7828 14.4901 14.4901 14.9080 14.9080 15.2710 15.2710 18.0031 18.0031 k = 0.0890 0.0890-0.0000 ( 1853 PWs) bands (ev): -8.7688 -8.7688 -7.4211 -7.4211 2.4312 2.4312 4.6042 4.6042 4.7939 4.7939 6.8162 6.8162 7.0296 7.0296 8.0625 8.0625 8.1918 8.1918 8.8111 8.8111 9.0935 9.0935 10.5443 10.5443 10.7386 10.7386 10.8372 10.8372 11.5217 11.5217 11.7695 11.7695 14.4440 14.4440 14.9327 14.9327 15.2852 15.2852 17.9052 17.9052 k = 0.0822 0.0822-0.0000 ( 1847 PWs) bands (ev): -8.7824 -8.7824 -7.4140 -7.4140 2.4027 2.4027 4.6048 4.6048 4.7806 4.7806 6.8773 6.8773 7.0937 7.0937 8.0458 8.0458 8.1751 8.1751 8.7604 8.7604 9.0709 9.0709 10.5541 10.5541 10.7428 10.7428 10.8269 10.8269 11.5336 11.5336 11.7569 11.7569 14.3998 14.3998 14.9568 14.9568 15.2996 15.2996 17.8127 17.8127 k = 0.0753 0.0753-0.0000 ( 1847 PWs) bands (ev): -8.7951 -8.7951 -7.4075 -7.4075 2.3763 2.3763 4.6049 4.6049 4.7689 4.7689 6.9375 6.9375 7.1562 7.1562 8.0198 8.0198 8.1670 8.1670 8.7104 8.7104 9.0500 9.0500 10.5625 10.5625 10.7469 10.7469 10.8176 10.8176 11.5448 11.5448 11.7450 11.7450 14.3582 14.3582 14.9797 14.9797 15.3139 15.3139 17.7258 17.7258 k = 0.0685 0.0685-0.0000 ( 1843 PWs) bands (ev): -8.8067 -8.8067 -7.4015 -7.4015 2.3522 2.3522 4.6045 4.6045 4.7588 4.7588 6.9966 6.9966 7.2169 7.2169 7.9875 7.9875 8.1647 8.1647 8.6612 8.6612 9.0307 9.0307 10.5697 10.5697 10.7508 10.7508 10.8092 10.8092 11.5551 11.5551 11.7341 11.7341 14.3196 14.3196 15.0012 15.0012 15.3280 15.3280 17.6449 17.6449 k = 0.0616 0.0616-0.0000 ( 1839 PWs) bands (ev): -8.8172 -8.8172 -7.3960 -7.3960 2.3303 2.3303 4.6036 4.6036 4.7502 4.7502 7.0547 7.0547 7.2753 7.2753 7.9516 7.9516 8.1655 8.1655 8.6130 8.6130 9.0132 9.0132 10.5754 10.5754 10.7545 10.7545 10.8018 10.8018 11.5645 11.5645 11.7243 11.7243 14.2842 14.2842 15.0209 15.0209 15.3417 15.3417 17.5703 17.5703 k = 0.0548 0.0548-0.0000 ( 1839 PWs) bands (ev): -8.8267 -8.8267 -7.3910 -7.3910 2.3106 2.3106 4.6023 4.6023 4.7430 4.7430 7.1115 7.1115 7.3312 7.3312 7.9138 7.9138 8.1677 8.1677 8.5661 8.5661 8.9975 8.9975 10.5799 10.5799 10.7581 10.7581 10.7955 10.7955 11.5728 11.5728 11.7156 11.7156 14.2521 14.2521 15.0387 15.0387 15.3549 15.3549 17.5023 17.5023 k = 0.0479 0.0479-0.0000 ( 1835 PWs) bands (ev): -8.8351 -8.8351 -7.3866 -7.3866 2.2932 2.2932 4.6007 4.6007 4.7372 4.7372 7.1670 7.1670 7.3837 7.3837 7.8750 7.8750 8.1707 8.1707 8.5210 8.5210 8.9836 8.9836 10.5832 10.5832 10.7615 10.7615 10.7901 10.7901 11.5801 11.5801 11.7081 11.7081 14.2237 14.2237 15.0546 15.0546 15.3673 15.3673 17.4413 17.4413 k = 0.0411 0.0411-0.0000 ( 1835 PWs) bands (ev): -8.8424 -8.8424 -7.3828 -7.3828 2.2781 2.2781 4.5989 4.5989 4.7326 4.7326 7.2212 7.2212 7.4320 7.4320 7.8359 7.8359 8.1740 8.1740 8.4782 8.4782 8.9714 8.9714 10.5855 10.5855 10.7645 10.7645 10.7858 10.7858 11.5861 11.5861 11.7019 11.7019 14.1988 14.1988 15.0684 15.0684 15.3788 15.3788 17.3875 17.3875 k = 0.0342 0.0342-0.0000 ( 1837 PWs) bands (ev): -8.8485 -8.8485 -7.3796 -7.3796 2.2653 2.2653 4.5970 4.5970 4.7290 4.7290 7.2739 7.2739 7.4749 7.4749 7.7973 7.7973 8.1774 8.1774 8.4382 8.4382 8.9611 8.9611 10.5869 10.5869 10.7670 10.7670 10.7826 10.7826 11.5910 11.5910 11.6970 11.6970 14.1777 14.1777 15.0801 15.0801 15.3889 15.3889 17.3412 17.3412 k = 0.0274 0.0274-0.0000 ( 1843 PWs) bands (ev): -8.8536 -8.8536 -7.3769 -7.3769 2.2547 2.2547 4.5953 4.5953 4.7263 4.7263 7.3248 7.3248 7.5104 7.5104 7.7603 7.7603 8.1809 8.1809 8.4022 8.4022 8.9527 8.9527 10.5878 10.5878 10.7686 10.7686 10.7806 10.7806 11.5947 11.5947 11.6932 11.6932 14.1603 14.1603 15.0897 15.0897 15.3976 15.3976 17.3029 17.3029 k = 0.0205 0.0205-0.0000 ( 1843 PWs) bands (ev): -8.8576 -8.8576 -7.3748 -7.3748 2.2466 2.2466 4.5938 4.5938 4.7244 4.7244 7.3737 7.3737 7.5352 7.5352 7.7273 7.7273 8.1844 8.1844 8.3712 8.3712 8.9461 8.9461 10.5882 10.5882 10.7694 10.7694 10.7797 10.7797 11.5974 11.5974 11.6906 11.6906 14.1467 14.1467 15.0971 15.0971 15.4047 15.4047 17.2728 17.2728 k = 0.0137 0.0137-0.0000 ( 1849 PWs) bands (ev): -8.8604 -8.8604 -7.3733 -7.3733 2.2407 2.2407 4.5927 4.5927 4.7231 4.7231 7.4196 7.4196 7.5449 7.5449 7.7023 7.7023 8.1876 8.1876 8.3469 8.3469 8.9414 8.9414 10.5884 10.5884 10.7694 10.7694 10.7797 10.7797 11.5992 11.5992 11.6888 11.6888 14.1370 14.1370 15.1024 15.1024 15.4099 15.4099 17.2511 17.2511 k = 0.0068 0.0068-0.0000 ( 1845 PWs) bands (ev): -8.8621 -8.8621 -7.3724 -7.3724 2.2372 2.2372 4.5919 4.5919 4.7224 4.7224 7.4604 7.4604 7.5368 7.5368 7.6888 7.6888 8.1900 8.1900 8.3312 8.3312 8.9385 8.9385 10.5885 10.5885 10.7692 10.7692 10.7800 10.7800 11.6002 11.6002 11.6878 11.6878 14.1312 14.1312 15.1057 15.1057 15.4131 15.4131 17.2379 17.2379 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -8.8627 -8.8627 -7.3721 -7.3721 2.2360 2.2360 4.5917 4.5917 4.7221 4.7221 7.4836 7.4836 7.5238 7.5238 7.6850 7.6850 8.1910 8.1910 8.3257 8.3257 8.9376 8.9376 10.5885 10.5885 10.7691 10.7691 10.7801 10.7801 11.6005 11.6005 11.6875 11.6875 14.1292 14.1292 15.1068 15.1068 15.4142 15.4142 17.2336 17.2336 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): -8.8627 -8.8627 -7.3721 -7.3721 2.2360 2.2360 4.5917 4.5917 4.7221 4.7221 7.4836 7.4836 7.5238 7.5238 7.6850 7.6850 8.1910 8.1910 8.3257 8.3257 8.9376 8.9376 10.5885 10.5885 10.7691 10.7691 10.7801 10.7801 11.6005 11.6005 11.6875 11.6875 14.1292 14.1292 15.1068 15.1068 15.4142 15.4142 17.2336 17.2336 k = 0.0000 0.0000 0.0096 ( 1842 PWs) bands (ev): -8.8618 -8.8618 -7.3734 -7.3734 2.2389 2.2389 4.5920 4.5920 4.7224 4.7224 7.4821 7.4821 7.5223 7.5223 7.6832 7.6832 8.1783 8.1783 8.3263 8.3263 8.9488 8.9488 10.5891 10.5891 10.7706 10.7706 10.7810 10.7810 11.6013 11.6013 11.6856 11.6856 14.1327 14.1327 15.1050 15.1050 15.4122 15.4122 17.2349 17.2349 k = 0.0000 0.0000 0.0192 ( 1842 PWs) bands (ev): -8.8593 -8.8593 -7.3772 -7.3772 2.2473 2.2473 4.5931 4.5931 4.7232 4.7232 7.4772 7.4772 7.5177 7.5177 7.6778 7.6778 8.1432 8.1432 8.3280 8.3280 8.9800 8.9800 10.5909 10.5909 10.7752 10.7752 10.7836 10.7836 11.6036 11.6036 11.6800 11.6800 14.1431 14.1431 15.0996 15.0996 15.4064 15.4064 17.2389 17.2389 k = 0.0000 0.0000 0.0288 ( 1842 PWs) bands (ev): -8.8551 -8.8551 -7.3836 -7.3836 2.2614 2.2614 4.5948 4.5948 4.7246 4.7246 7.4677 7.4677 7.5101 7.5101 7.6687 7.6687 8.0924 8.0924 8.3308 8.3308 9.0257 9.0257 10.5935 10.5935 10.7828 10.7828 10.7882 10.7882 11.6075 11.6075 11.6708 11.6708 14.1604 14.1604 15.0908 15.0908 15.3967 15.3967 17.2453 17.2453 k = 0.0000 0.0000 0.0384 ( 1834 PWs) bands (ev): -8.8493 -8.8493 -7.3925 -7.3925 2.2811 2.2811 4.5972 4.5972 4.7265 4.7265 7.4515 7.4515 7.4996 7.4996 7.6559 7.6559 8.0340 8.0340 8.3345 8.3345 9.0802 9.0802 10.5965 10.5965 10.7930 10.7930 10.7949 10.7949 11.6130 11.6130 11.6585 11.6585 14.1845 14.1845 15.0785 15.0785 15.3834 15.3834 17.2536 17.2536 k = 0.0000 0.0000 0.0480 ( 1834 PWs) bands (ev): -8.8418 -8.8418 -7.4039 -7.4039 2.3063 2.3063 4.6002 4.6002 4.7288 4.7288 7.4254 7.4254 7.4866 7.4866 7.6396 7.6396 7.9758 7.9758 8.3391 8.3391 9.1391 9.1391 10.5991 10.5991 10.8039 10.8039 10.8057 10.8057 11.6203 11.6203 11.6436 11.6436 14.2154 14.2154 15.0629 15.0629 15.3663 15.3663 17.2632 17.2632 k = 0.0000 0.0000 0.0576 ( 1842 PWs) bands (ev): -8.8326 -8.8326 -7.4177 -7.4177 2.3370 2.3370 4.6038 4.6038 4.7317 4.7317 7.3850 7.3850 7.4713 7.4713 7.6204 7.6204 7.9248 7.9248 8.3445 8.3445 9.1995 9.1995 10.6007 10.6007 10.8155 10.8155 10.8204 10.8204 11.6267 11.6267 11.6294 11.6294 14.2528 14.2528 15.0440 15.0440 15.3457 15.3457 17.2733 17.2733 k = 0.0000 0.0000 0.0672 ( 1842 PWs) bands (ev): -8.8218 -8.8218 -7.4338 -7.4338 2.3731 2.3731 4.6080 4.6080 4.7350 4.7350 7.3273 7.3273 7.4538 7.4538 7.5994 7.5994 7.8854 7.8854 8.3504 8.3504 9.2594 9.2594 10.6007 10.6007 10.8295 10.8295 10.8367 10.8367 11.6088 11.6088 11.6405 11.6405 14.2966 14.2966 15.0222 15.0222 15.3218 15.3218 17.2831 17.2831 k = 0.0000 0.0000 0.0768 ( 1846 PWs) bands (ev): -8.8094 -8.8094 -7.4522 -7.4522 2.4145 2.4145 4.6128 4.6128 4.7387 4.7387 7.2515 7.2515 7.4347 7.4347 7.5774 7.5774 7.8591 7.8591 8.3567 8.3567 9.3175 9.3175 10.5984 10.5984 10.8458 10.8458 10.8542 10.8542 11.5908 11.5908 11.6535 11.6535 14.3465 14.3465 14.9974 14.9974 15.2946 15.2946 17.2918 17.2918 k = 0.0000 0.0000 0.0865 ( 1842 PWs) bands (ev): -8.7954 -8.7954 -7.4727 -7.4727 2.4611 2.4611 4.6181 4.6181 4.7428 4.7428 7.1600 7.1600 7.4140 7.4140 7.5548 7.5548 7.8447 7.8447 8.3634 8.3634 9.3731 9.3731 10.5936 10.5936 10.8638 10.8638 10.8724 10.8724 11.5737 11.5737 11.6687 11.6687 14.4025 14.4025 14.9701 14.9701 15.2646 15.2646 17.2985 17.2985 k = 0.0000 0.0000 0.0961 ( 1842 PWs) bands (ev): -8.7798 -8.7798 -7.4954 -7.4954 2.5128 2.5128 4.6239 4.6239 4.7472 4.7472 7.0563 7.0563 7.3923 7.3923 7.5314 7.5314 7.8399 7.8399 8.3701 8.3701 9.4256 9.4256 10.5858 10.5858 10.8828 10.8828 10.8908 10.8908 11.5589 11.5589 11.6861 11.6861 14.4640 14.4640 14.9404 14.9404 15.2317 15.2317 17.3022 17.3022 k = 0.0000 0.0000 0.1057 ( 1850 PWs) bands (ev): -8.7627 -8.7627 -7.5199 -7.5199 2.5694 2.5694 4.6300 4.6300 4.7519 4.7519 6.9435 6.9435 7.3697 7.3697 7.5070 7.5070 7.8426 7.8426 8.3768 8.3768 9.4748 9.4748 10.5749 10.5749 10.9019 10.9019 10.9090 10.9090 11.5475 11.5475 11.7057 11.7057 14.5310 14.5310 14.9085 14.9085 15.1962 15.1962 17.3023 17.3023 k = 0.0000 0.0000 0.1153 ( 1854 PWs) bands (ev): -8.7440 -8.7440 -7.5464 -7.5464 2.6309 2.6309 4.6366 4.6366 4.7568 4.7568 6.8242 6.8242 7.3466 7.3466 7.4817 7.4817 7.8510 7.8510 8.3833 8.3833 9.5206 9.5206 10.5606 10.5606 10.9202 10.9202 10.9266 10.9266 11.5409 11.5409 11.7275 11.7275 14.6030 14.6030 14.8748 14.8748 15.1583 15.1583 17.2980 17.2980 k = 0.0000 0.0000 0.1249 ( 1854 PWs) bands (ev): -8.7239 -8.7239 -7.5745 -7.5745 2.6972 2.6972 4.6434 4.6434 4.7619 4.7619 6.7001 6.7001 7.3233 7.3233 7.4556 7.4556 7.8639 7.8639 8.3894 8.3894 9.5631 9.5631 10.5428 10.5428 10.9369 10.9369 10.9432 10.9432 11.5401 11.5401 11.7513 11.7513 14.6796 14.6796 14.8397 14.8397 15.1184 15.1184 17.2887 17.2887 k = 0.0000 0.0000 0.1345 ( 1866 PWs) bands (ev): -8.7022 -8.7022 -7.6043 -7.6043 2.7679 2.7679 4.6504 4.6504 4.7670 4.7670 6.5726 6.5726 7.3000 7.3000 7.4289 7.4289 7.8803 7.8803 8.3950 8.3950 9.6022 9.6022 10.5217 10.5217 10.9513 10.9513 10.9585 10.9585 11.5459 11.5459 11.7770 11.7770 14.7600 14.7600 14.8039 14.8039 15.0766 15.0766 17.2739 17.2739 k = 0.0000 0.0000 0.1441 ( 1866 PWs) bands (ev): -8.6792 -8.6792 -7.6355 -7.6355 2.8431 2.8431 4.6576 4.6576 4.7722 4.7722 6.4424 6.4424 7.2771 7.2771 7.4019 7.4019 7.8997 7.8997 8.4000 8.4000 9.6381 9.6381 10.4972 10.4972 10.9632 10.9632 10.9723 10.9723 11.5584 11.5584 11.8042 11.8042 14.7657 14.7657 14.8461 14.8461 15.0334 15.0334 17.2535 17.2535 k = 0.0000 0.0000 0.1537 ( 1870 PWs) bands (ev): -8.6547 -8.6547 -7.6681 -7.6681 2.9226 2.9226 4.6648 4.6648 4.7774 4.7774 6.3106 6.3106 7.2548 7.2548 7.3748 7.3748 7.9214 7.9214 8.4040 8.4040 9.6712 9.6712 10.4695 10.4695 10.9725 10.9725 10.9846 10.9846 11.5776 11.5776 11.8326 11.8326 14.7287 14.7287 14.9342 14.9342 14.9889 14.9889 17.2271 17.2271 k = 0.0000 0.0000 0.1633 ( 1870 PWs) bands (ev): -8.6289 -8.6289 -7.7020 -7.7020 3.0061 3.0061 4.6719 4.6719 4.7826 4.7826 6.1775 6.1775 7.2334 7.2334 7.3480 7.3480 7.9451 7.9451 8.4071 8.4071 9.7016 9.7016 10.4390 10.4390 10.9796 10.9796 10.9952 10.9952 11.6029 11.6029 11.8618 11.8618 14.6917 14.6917 14.9435 14.9435 15.0256 15.0256 17.1948 17.1948 k = 0.0000 0.0000 0.1729 ( 1874 PWs) bands (ev): -8.6019 -8.6019 -7.7369 -7.7369 3.0936 3.0936 4.6787 4.6787 4.7876 4.7876 6.0438 6.0438 7.2130 7.2130 7.3215 7.3215 7.9703 7.9703 8.4090 8.4090 9.7296 9.7296 10.4062 10.4062 10.9851 10.9851 11.0042 11.0042 11.6331 11.6331 11.8911 11.8911 14.6554 14.6554 14.8976 14.8976 15.1197 15.1197 17.1564 17.1564 k = 0.0000 0.0000 0.1825 ( 1866 PWs) bands (ev): -8.5735 -8.5735 -7.7728 -7.7728 3.1849 3.1849 4.6851 4.6851 4.7924 4.7924 5.9099 5.9099 7.1939 7.1939 7.2957 7.2957 7.9968 7.9968 8.4096 8.4096 9.7555 9.7555 10.3716 10.3716 10.9893 10.9893 11.0116 11.0116 11.6674 11.6674 11.9199 11.9199 14.6203 14.6203 14.8516 14.8516 15.2161 15.2161 17.1122 17.1122 k = 0.0000 0.0000 0.1921 ( 1866 PWs) bands (ev): -8.5439 -8.5439 -7.8095 -7.8095 3.2798 3.2798 4.6909 4.6909 4.7969 4.7969 5.7764 5.7764 7.1763 7.1763 7.2709 7.2709 8.0243 8.0243 8.4086 8.4086 9.7798 9.7798 10.3356 10.3356 10.9927 10.9927 11.0176 11.0176 11.7047 11.7047 11.9477 11.9477 14.5870 14.5870 14.8058 14.8058 15.3142 15.3142 17.0622 17.0622 k = 0.0000 0.0000 0.2017 ( 1858 PWs) bands (ev): -8.5132 -8.5132 -7.8469 -7.8469 3.3780 3.3780 4.6956 4.6956 4.8012 4.8012 5.6437 5.6437 7.1603 7.1603 7.2472 7.2472 8.0524 8.0524 8.4060 8.4060 9.8026 9.8026 10.2988 10.2988 10.9957 10.9957 11.0221 11.0221 11.7437 11.7437 11.9738 11.9738 14.5561 14.5561 14.7608 14.7608 15.4138 15.4138 17.0067 17.0067 k = 0.0000 0.0000 0.2113 ( 1858 PWs) bands (ev): -8.4814 -8.4814 -7.8849 -7.8849 3.4794 3.4794 4.6988 4.6988 4.8052 4.8052 5.5127 5.5127 7.1462 7.1462 7.2247 7.2247 8.0810 8.0810 8.4017 8.4017 9.8244 9.8244 10.2619 10.2619 10.9984 10.9984 11.0254 11.0254 11.7836 11.7836 11.9975 11.9975 14.5281 14.5281 14.7168 14.7168 15.5143 15.5143 16.9459 16.9459 k = 0.0000 0.0000 0.2209 ( 1850 PWs) bands (ev): -8.4486 -8.4486 -7.9234 -7.9234 3.5838 3.5838 4.6997 4.6997 4.8089 4.8089 5.3841 5.3841 7.1340 7.1340 7.2039 7.2039 8.1097 8.1097 8.3954 8.3954 9.8455 9.8455 10.2252 10.2252 11.0012 11.0012 11.0275 11.0275 11.8235 11.8235 12.0181 12.0181 14.5036 14.5036 14.6746 14.6746 15.6154 15.6154 16.8802 16.8802 k = 0.0000 0.0000 0.2305 ( 1850 PWs) bands (ev): -8.4148 -8.4148 -7.9622 -7.9622 3.6909 3.6909 4.6969 4.6969 4.8123 4.8123 5.2596 5.2596 7.1240 7.1240 7.1846 7.1846 8.1384 8.1384 8.3871 8.3871 9.8663 9.8663 10.1892 10.1892 11.0040 11.0040 11.0286 11.0286 11.8623 11.8623 12.0350 12.0350 14.4833 14.4833 14.6344 14.6344 15.7167 15.7167 16.8098 16.8098 k = 0.0000 0.0000 0.2401 ( 1854 PWs) bands (ev): -8.3800 -8.3800 -8.0012 -8.0012 3.8004 3.8004 4.6877 4.6877 4.8155 4.8155 5.1420 5.1420 7.1161 7.1161 7.1673 7.1673 8.1666 8.1666 8.3766 8.3766 9.8871 9.8871 10.1542 10.1542 11.0068 11.0068 11.0289 11.0289 11.8994 11.8994 12.0477 12.0477 14.4674 14.4674 14.5970 14.5970 15.8177 15.8177 16.7349 16.7349 k = 0.0000 0.0000 0.2498 ( 1854 PWs) bands (ev): -8.3445 -8.3445 -8.0403 -8.0403 3.9120 3.9120 4.6670 4.6670 4.8188 4.8188 5.0365 5.0365 7.1106 7.1106 7.1519 7.1519 8.1942 8.1942 8.3641 8.3641 9.9082 9.9082 10.1206 10.1206 11.0097 11.0097 11.0284 11.0284 11.9340 11.9340 12.0556 12.0556 14.4566 14.4566 14.5627 14.5627 15.9181 15.9181 16.6560 16.6560 k = 0.0000 0.0000 0.2594 ( 1858 PWs) bands (ev): -8.3082 -8.3082 -8.0794 -8.0794 4.0251 4.0251 4.6265 4.6265 4.8224 4.8224 4.9515 4.9515 7.1074 7.1074 7.1386 7.1386 8.2208 8.2208 8.3494 8.3494 9.9301 9.9301 10.0885 10.0885 11.0126 11.0126 11.0273 11.0273 11.9655 11.9655 12.0584 12.0584 14.4511 14.4511 14.5322 14.5322 16.0176 16.0176 16.5734 16.5734 k = 0.0000 0.0000 0.2690 ( 1870 PWs) bands (ev): -8.2713 -8.2713 -8.1184 -8.1184 4.1391 4.1391 4.5592 4.5592 4.8268 4.8268 4.8942 4.8942 7.1066 7.1066 7.1275 7.1275 8.2463 8.2463 8.3326 8.3326 9.9529 9.9529 10.0581 10.0581 11.0155 11.0155 11.0256 11.0256 11.9931 11.9931 12.0559 12.0559 14.4511 14.4511 14.5059 14.5059 16.1156 16.1156 16.4873 16.4873 k = 0.0000 0.0000 0.2786 ( 1870 PWs) bands (ev): -8.2337 -8.2337 -8.1572 -8.1572 4.2527 4.2527 4.4684 4.4684 4.8331 4.8331 4.8613 4.8613 7.1082 7.1082 7.1187 7.1187 8.2704 8.2704 8.3137 8.3137 9.9769 9.9769 10.0294 10.0294 11.0184 11.0184 11.0235 11.0235 12.0163 12.0163 12.0480 12.0480 14.4567 14.4567 14.4844 14.4844 16.2120 16.2120 16.3982 16.3982 k = 0.0000 0.0000 0.2882 ( 1870 PWs) bands (ev): -8.1957 -8.1957 -8.1957 -8.1957 4.3638 4.3638 4.3638 4.3638 4.8433 4.8433 4.8433 4.8433 7.1122 7.1122 7.1122 7.1122 8.2930 8.2930 8.2930 8.2930 10.0023 10.0023 10.0023 10.0023 11.0210 11.0210 11.0210 11.0210 12.0347 12.0347 12.0347 12.0347 14.4678 14.4678 14.4678 14.4678 16.3063 16.3063 16.3063 16.3063 k = 0.0000 0.0000 0.2882 ( 1870 PWs) bands (ev): -8.1957 -8.1957 -8.1957 -8.1957 4.3638 4.3638 4.3638 4.3638 4.8433 4.8433 4.8433 4.8433 7.1122 7.1122 7.1122 7.1122 8.2930 8.2930 8.2930 8.2930 10.0023 10.0023 10.0023 10.0023 11.0210 11.0210 11.0210 11.0210 12.0347 12.0347 12.0347 12.0347 14.4678 14.4678 14.4678 14.4678 16.3063 16.3063 16.3063 16.3063 k = 0.0000 0.0096 0.2882 ( 1870 PWs) bands (ev): -8.1967 -8.1967 -8.1942 -8.1942 4.3440 4.3440 4.3799 4.3799 4.8263 4.8263 4.8659 4.8659 7.1059 7.1059 7.1145 7.1145 8.2934 8.2934 8.2953 8.2953 9.9987 9.9987 10.0088 10.0088 11.0144 11.0144 11.0261 11.0261 12.0322 12.0322 12.0359 12.0359 14.4638 14.4638 14.4690 14.4690 16.3021 16.3021 16.3156 16.3156 k = 0.0000 0.0192 0.2882 ( 1864 PWs) bands (ev): -8.1977 -8.1977 -8.1919 -8.1919 4.3196 4.3196 4.3939 4.3939 4.8140 4.8140 4.8945 4.8945 7.0916 7.0916 7.1166 7.1166 8.2949 8.2949 8.3020 8.3020 9.9971 9.9971 10.0189 10.0189 11.0063 11.0063 11.0295 11.0295 12.0283 12.0283 12.0357 12.0357 14.4520 14.4520 14.4724 14.4724 16.3026 16.3026 16.3304 16.3304 k = 0.0000 0.0288 0.2882 ( 1860 PWs) bands (ev): -8.1987 -8.1987 -8.1886 -8.1886 4.2904 4.2904 4.4074 4.4074 4.8051 4.8051 4.9286 4.9286 7.0686 7.0686 7.1197 7.1197 8.2974 8.2974 8.3132 8.3132 9.9968 9.9968 10.0330 10.0330 10.9966 10.9966 11.0313 11.0313 12.0231 12.0231 12.0342 12.0342 14.4327 14.4327 14.4781 14.4781 16.3074 16.3074 16.3508 16.3508 k = 0.0000 0.0385 0.2882 ( 1858 PWs) bands (ev): -8.2000 -8.2000 -8.1843 -8.1843 4.2572 4.2572 4.4216 4.4216 4.7986 4.7986 4.9674 4.9674 7.0371 7.0371 7.1238 7.1238 8.3008 8.3008 8.3290 8.3290 9.9973 9.9973 10.0513 10.0513 10.9857 10.9857 11.0315 11.0315 12.0166 12.0166 12.0313 12.0313 14.4064 14.4064 14.4859 14.4859 16.3161 16.3161 16.3767 16.3767 k = 0.0000 0.0481 0.2882 ( 1862 PWs) bands (ev): -8.2015 -8.2015 -8.1788 -8.1788 4.2209 4.2209 4.4373 4.4373 4.7937 4.7937 5.0098 5.0098 6.9976 6.9976 7.1291 7.1291 8.3049 8.3049 8.3492 8.3492 9.9984 9.9984 10.0733 10.0733 10.9734 10.9734 11.0301 11.0301 12.0087 12.0087 12.0272 12.0272 14.3738 14.3738 14.4960 14.4960 16.3283 16.3283 16.4076 16.4076 k = 0.0000 0.0577 0.2882 ( 1858 PWs) bands (ev): -8.2033 -8.2033 -8.1722 -8.1722 4.1825 4.1825 4.4550 4.4550 4.7898 4.7898 5.0550 5.0550 6.9508 6.9508 7.1355 7.1355 8.3098 8.3098 8.3740 8.3740 10.0000 10.0000 10.0987 10.0987 10.9601 10.9601 11.0270 11.0270 11.9996 11.9996 12.0218 12.0218 14.3359 14.3359 14.5080 14.5080 16.3439 16.3439 16.4431 16.4431 k = 0.0000 0.0673 0.2882 ( 1862 PWs) bands (ev): -8.2054 -8.2054 -8.1645 -8.1645 4.1427 4.1427 4.4750 4.4750 4.7865 4.7865 5.1021 5.1021 6.8972 6.8972 7.1430 7.1430 8.3154 8.3154 8.4033 8.4033 10.0020 10.0020 10.1267 10.1267 10.9457 10.9457 11.0224 11.0224 11.9893 11.9893 12.0151 12.0151 14.2933 14.2933 14.5221 14.5221 16.3626 16.3626 16.4824 16.4824 k = 0.0000 0.0769 0.2882 ( 1862 PWs) bands (ev): -8.2078 -8.2078 -8.1557 -8.1557 4.1024 4.1024 4.4975 4.4975 4.7835 4.7835 5.1503 5.1503 6.8376 6.8376 7.1517 7.1517 8.3215 8.3215 8.4371 8.4371 10.0044 10.0044 10.1568 10.1568 10.9306 10.9306 11.0163 11.0163 11.9777 11.9777 12.0073 12.0073 14.2470 14.2470 14.5381 14.5381 16.3843 16.3843 16.5250 16.5250 k = 0.0000 0.0865 0.2882 ( 1870 PWs) bands (ev): -8.2105 -8.2105 -8.1457 -8.1457 4.0621 4.0621 4.5224 4.5224 4.7807 4.7807 5.1991 5.1991 6.7728 6.7728 7.1615 7.1615 8.3281 8.3281 8.4753 8.4753 10.0070 10.0070 10.1881 10.1881 10.9149 10.9149 11.0088 11.0088 11.9650 11.9650 11.9984 11.9984 14.1976 14.1976 14.5558 14.5558 16.4090 16.4090 16.5702 16.5702 k = 0.0000 0.0962 0.2882 ( 1876 PWs) bands (ev): -8.2135 -8.2135 -8.1347 -8.1347 4.0222 4.0222 4.5498 4.5498 4.7780 4.7780 5.2479 5.2479 6.7035 6.7035 7.1724 7.1724 8.3351 8.3351 8.5178 8.5178 10.0100 10.0100 10.2201 10.2201 10.8988 10.8988 11.0000 11.0000 11.9512 11.9512 11.9884 11.9884 14.1460 14.1460 14.5752 14.5752 16.4365 16.4365 16.6175 16.6175 k = 0.0000 0.1058 0.2882 ( 1876 PWs) bands (ev): -8.2167 -8.2167 -8.1227 -8.1227 3.9829 3.9829 4.5796 4.5796 4.7754 4.7754 5.2964 5.2964 6.6303 6.6303 7.1844 7.1844 8.3426 8.3426 8.5645 8.5645 10.0132 10.0132 10.2521 10.2521 10.8826 10.8826 10.9898 10.9898 11.9364 11.9364 11.9775 11.9775 14.0928 14.0928 14.5962 14.5962 16.4668 16.4668 16.6662 16.6662 k = 0.0000 0.1154 0.2882 ( 1872 PWs) bands (ev): -8.2202 -8.2202 -8.1097 -8.1097 3.9446 3.9446 4.6118 4.6118 4.7729 4.7729 5.3441 5.3441 6.5540 6.5540 7.1975 7.1975 8.3504 8.3504 8.6152 8.6152 10.0167 10.0167 10.2833 10.2833 10.8666 10.8666 10.9786 10.9786 11.9205 11.9205 11.9657 11.9657 14.0386 14.0386 14.6186 14.6186 16.4996 16.4996 16.7159 16.7159 k = 0.0000 0.1250 0.2882 ( 1870 PWs) bands (ev): -8.2239 -8.2239 -8.0957 -8.0957 3.9075 3.9075 4.6462 4.6462 4.7705 4.7705 5.3907 5.3907 6.4752 6.4752 7.2116 7.2116 8.3586 8.3586 8.6697 8.6697 10.0205 10.0205 10.3132 10.3132 10.8511 10.8511 10.9663 10.9663 11.9037 11.9037 11.9530 11.9530 13.9840 13.9840 14.6422 14.6422 16.5350 16.5350 16.7662 16.7662 k = 0.0000 0.1346 0.2882 ( 1870 PWs) bands (ev): -8.2279 -8.2279 -8.0809 -8.0809 3.8717 3.8717 4.6821 4.6821 4.7688 4.7688 5.4359 5.4359 6.3945 6.3945 7.2268 7.2268 8.3671 8.3671 8.7277 8.7277 10.0245 10.0245 10.3412 10.3412 10.8365 10.8365 10.9532 10.9532 11.8861 11.8861 11.9395 11.9395 13.9295 13.9295 14.6671 14.6671 16.5729 16.5729 16.8166 16.8166 k = 0.0000 0.1442 0.2882 ( 1866 PWs) bands (ev): -8.2321 -8.2321 -8.0651 -8.0651 3.8373 3.8373 4.7176 4.7176 4.7695 4.7695 5.4792 5.4792 6.3127 6.3127 7.2430 7.2430 8.3758 8.3758 8.7888 8.7888 10.0288 10.0288 10.3669 10.3669 10.8231 10.8231 10.9393 10.9393 11.8676 11.8676 11.9255 11.9255 13.8755 13.8755 14.6929 14.6929 16.6130 16.6130 16.8668 16.8668 k = 0.0000 0.1538 0.2882 ( 1870 PWs) bands (ev): -8.2366 -8.2366 -8.0485 -8.0485 3.8045 3.8045 4.7429 4.7429 4.7824 4.7824 5.5203 5.5203 6.2306 6.2306 7.2601 7.2601 8.3847 8.3847 8.8526 8.8526 10.0333 10.0333 10.3899 10.3899 10.8113 10.8113 10.9248 10.9248 11.8483 11.8483 11.9107 11.9107 13.8225 13.8225 14.7196 14.7196 16.6554 16.6554 16.9166 16.9166 k = 0.0000 0.1635 0.2882 ( 1870 PWs) bands (ev): -8.2412 -8.2412 -8.0312 -8.0312 3.7733 3.7733 4.7484 4.7484 4.8169 4.8169 5.5584 5.5584 6.1492 6.1492 7.2782 7.2782 8.3939 8.3939 8.9185 8.9185 10.0381 10.0381 10.4101 10.4101 10.8014 10.8014 10.9100 10.9100 11.8284 11.8284 11.8955 11.8955 13.7707 13.7707 14.7471 14.7471 16.6998 16.6998 16.9655 16.9655 k = 0.0000 0.1731 0.2882 ( 1870 PWs) bands (ev): -8.2460 -8.2460 -8.0132 -8.0132 3.7437 3.7437 4.7472 4.7472 4.8595 4.8595 5.5926 5.5926 6.0701 6.0701 7.2972 7.2972 8.4031 8.4031 8.9858 8.9858 10.0431 10.0431 10.4276 10.4276 10.7937 10.7937 10.8950 10.8950 11.8078 11.8078 11.8799 11.8799 13.7206 13.7206 14.7752 14.7752 16.7462 16.7462 17.0134 17.0134 k = 0.0000 0.1827 0.2882 ( 1868 PWs) bands (ev): -8.2509 -8.2509 -7.9945 -7.9945 3.7159 3.7159 4.7444 4.7444 4.9047 4.9047 5.6207 5.6207 5.9957 5.9957 7.3171 7.3171 8.4125 8.4125 9.0537 9.0537 10.0483 10.0483 10.4427 10.4427 10.7881 10.7881 10.8802 10.8802 11.7866 11.7866 11.8638 11.8638 13.6724 13.6724 14.8038 14.8038 16.7943 16.7943 17.0600 17.0600 k = 0.0000 0.1923 0.2882 ( 1868 PWs) bands (ev): -8.2560 -8.2560 -7.9752 -7.9752 3.6898 3.6898 4.7411 4.7411 4.9512 4.9512 5.6385 5.6385 5.9309 5.9309 7.3379 7.3379 8.4219 8.4219 9.1212 9.1212 10.0535 10.0535 10.4560 10.4560 10.7848 10.7848 10.8660 10.8660 11.7649 11.7649 11.8474 11.8474 13.6264 13.6264 14.8327 14.8327 16.8442 16.8442 17.1050 17.1050 k = 0.0000 0.2019 0.2882 ( 1860 PWs) bands (ev): -8.2613 -8.2613 -7.9554 -7.9554 3.6655 3.6655 4.7374 4.7374 4.9978 4.9978 5.6385 5.6385 5.8844 5.8844 7.3595 7.3595 8.4313 8.4313 9.1872 9.1872 10.0586 10.0586 10.4685 10.4685 10.7836 10.7836 10.8527 10.8527 11.7428 11.7428 11.8307 11.8307 13.5827 13.5827 14.8620 14.8620 16.8955 16.8955 17.1483 17.1483 k = 0.0000 0.2115 0.2882 ( 1856 PWs) bands (ev): -8.2666 -8.2666 -7.9352 -7.9352 3.6429 3.6429 4.7334 4.7334 5.0431 5.0431 5.6141 5.6141 5.8639 5.8639 7.3819 7.3819 8.4407 8.4407 9.2504 9.2504 10.0633 10.0633 10.4811 10.4811 10.7842 10.7842 10.8414 10.8414 11.7203 11.7203 11.8139 11.8139 13.5416 13.5416 14.8913 14.8913 16.9483 16.9483 17.1895 17.1895 k = 0.0000 0.2212 0.2882 ( 1852 PWs) bands (ev): -8.2721 -8.2721 -7.9145 -7.9145 3.6221 3.6221 4.7293 4.7293 5.0847 5.0847 5.5715 5.5715 5.8659 5.8659 7.4050 7.4050 8.4499 8.4499 9.3095 9.3095 10.0670 10.0670 10.4945 10.4945 10.7859 10.7859 10.8337 10.8337 11.6975 11.6975 11.7968 11.7968 13.5031 13.5031 14.9207 14.9207 17.0023 17.0023 17.2285 17.2285 k = 0.0000 0.2308 0.2882 ( 1856 PWs) bands (ev): -8.2776 -8.2776 -7.8936 -7.8936 3.6030 3.6030 4.7249 4.7249 5.1182 5.1182 5.5255 5.5255 5.8801 5.8801 7.4288 7.4288 8.4591 8.4591 9.3633 9.3633 10.0693 10.0693 10.5086 10.5086 10.7868 10.7868 10.8335 10.8335 11.6745 11.6745 11.7796 11.7796 13.4675 13.4675 14.9499 14.9499 17.0573 17.0573 17.2649 17.2649 k = 0.0000 0.2404 0.2882 ( 1856 PWs) bands (ev): -8.2832 -8.2832 -7.8723 -7.8723 3.5857 3.5857 4.7203 4.7203 5.1361 5.1361 5.4906 5.4906 5.8995 5.8995 7.4532 7.4532 8.4680 8.4680 9.4107 9.4107 10.0696 10.0696 10.5226 10.5226 10.7844 10.7844 10.8456 10.8456 11.6513 11.6513 11.7623 11.7623 13.4349 13.4349 14.9790 14.9790 17.1132 17.1132 17.2985 17.2985 k = 0.0000 0.2500 0.2882 ( 1856 PWs) bands (ev): -8.2888 -8.2888 -7.8510 -7.8510 3.5700 3.5700 4.7155 4.7155 5.1298 5.1298 5.4786 5.4786 5.9211 5.9211 7.4781 7.4781 8.4766 8.4766 9.4512 9.4512 10.0675 10.0675 10.5345 10.5345 10.7793 10.7793 10.8724 10.8724 11.6280 11.6280 11.7450 11.7450 13.4052 13.4052 15.0078 15.0078 17.1697 17.1697 17.3291 17.3291 k = 0.0000 0.2596 0.2882 ( 1856 PWs) bands (ev): -8.2944 -8.2944 -7.8295 -7.8295 3.5559 3.5559 4.7104 4.7104 5.0981 5.0981 5.4921 5.4921 5.9434 5.9434 7.5036 7.5036 8.4850 8.4850 9.4844 9.4844 10.0628 10.0628 10.5422 10.5422 10.7732 10.7732 10.9149 10.9149 11.6046 11.6046 11.7279 11.7279 13.3787 13.3787 15.0363 15.0363 17.2267 17.2267 17.3564 17.3564 k = 0.0000 0.2692 0.2882 ( 1852 PWs) bands (ev): -8.3000 -8.3000 -7.8080 -7.8080 3.5435 3.5435 4.7048 4.7048 5.0488 5.0488 5.5241 5.5241 5.9661 5.9661 7.5296 7.5296 8.4930 8.4930 9.5106 9.5106 10.0556 10.0556 10.5449 10.5449 10.7666 10.7666 10.9728 10.9728 11.5813 11.5813 11.7112 11.7112 13.3553 13.3553 15.0643 15.0643 17.2836 17.2836 17.3805 17.3805 k = 0.0000 0.2788 0.2882 ( 1852 PWs) bands (ev): -8.3055 -8.3055 -7.7865 -7.7865 3.5325 3.5325 4.6986 4.6986 4.9906 4.9906 5.5660 5.5660 5.9893 5.9893 7.5559 7.5559 8.5006 8.5006 9.5303 9.5303 10.0461 10.0461 10.5429 10.5429 10.7596 10.7596 11.0447 11.0447 11.5582 11.5582 11.6953 11.6953 13.3351 13.3351 15.0917 15.0917 17.3386 17.3386 17.4023 17.4023 k = 0.0000 0.2885 0.2882 ( 1850 PWs) bands (ev): -8.3111 -8.3111 -7.7652 -7.7652 3.5231 3.5231 4.6913 4.6913 4.9292 4.9292 5.6123 5.6123 6.0133 6.0133 7.5826 7.5826 8.5077 8.5077 9.5442 9.5442 10.0345 10.0345 10.5370 10.5370 10.7523 10.7523 11.1279 11.1279 11.5353 11.5353 11.6810 11.6810 13.3181 13.3181 15.1185 15.1185 17.3840 17.3840 17.4292 17.4292 k = 0.0000 0.2981 0.2882 ( 1858 PWs) bands (ev): -8.3166 -8.3166 -7.7441 -7.7441 3.5150 3.5150 4.6818 4.6818 4.8684 4.8684 5.6595 5.6595 6.0387 6.0387 7.6095 7.6095 8.5143 8.5143 9.5532 9.5532 10.0212 10.0212 10.5284 10.5284 10.7445 10.7445 11.2186 11.2186 11.5128 11.5128 11.6698 11.6698 13.3046 13.3046 15.1446 15.1446 17.4052 17.4052 17.4751 17.4751 k = 0.0000 0.3077 0.2882 ( 1862 PWs) bands (ev): -8.3219 -8.3219 -7.7234 -7.7234 3.5082 3.5082 4.6678 4.6678 4.8122 4.8122 5.7052 5.7052 6.0663 6.0663 7.6365 7.6365 8.5203 8.5203 9.5580 9.5580 10.0066 10.0066 10.5179 10.5179 10.7363 10.7363 11.3107 11.3107 11.4910 11.4910 11.6657 11.6657 13.2945 13.2945 15.1699 15.1699 17.4104 17.4104 17.5309 17.5309 k = 0.0000 0.3173 0.2882 ( 1862 PWs) bands (ev): -8.3272 -8.3272 -7.7030 -7.7030 3.5027 3.5027 4.6450 4.6450 4.7660 4.7660 5.7475 5.7475 6.0972 6.0972 7.6636 7.6636 8.5257 8.5257 9.5595 9.5595 9.9909 9.9909 10.5062 10.5062 10.7277 10.7277 11.3920 11.3920 11.4715 11.4715 11.6773 11.6773 13.2881 13.2881 15.1945 15.1945 17.4064 17.4064 17.5893 17.5893 k = 0.0000 0.3269 0.2882 ( 1866 PWs) bands (ev): -8.3323 -8.3323 -7.6830 -7.6830 3.4984 3.4984 4.6088 4.6088 4.7348 4.7348 5.7849 5.7849 6.1321 6.1321 7.6906 7.6906 8.5305 8.5305 9.5582 9.5582 9.9744 9.9744 10.4939 10.4939 10.7188 10.7188 11.4309 11.4309 11.4685 11.4685 11.7206 11.7206 13.2856 13.2856 15.2181 15.2181 17.3939 17.3939 17.6484 17.6484 k = 0.0000 0.3365 0.2882 ( 1866 PWs) bands (ev): -8.3373 -8.3373 -7.6636 -7.6636 3.4951 3.4951 4.5619 4.5619 4.7166 4.7166 5.8166 5.8166 6.1714 6.1714 7.7175 7.7175 8.5347 8.5347 9.5548 9.5548 9.9574 9.9574 10.4813 10.4813 10.7096 10.7096 11.4185 11.4185 11.4831 11.4831 11.8018 11.8018 13.2875 13.2875 15.2408 15.2408 17.3729 17.3729 17.7079 17.7079 k = 0.0000 0.3462 0.2882 ( 1864 PWs) bands (ev): -8.3420 -8.3420 -7.6448 -7.6448 3.4927 3.4927 4.5105 4.5105 4.7054 4.7054 5.8424 5.8424 6.2150 6.2150 7.7441 7.7441 8.5381 8.5381 9.5499 9.5499 9.9399 9.9399 10.4686 10.4686 10.7003 10.7003 11.3991 11.3991 11.4833 11.4833 11.9070 11.9070 13.2943 13.2943 15.2626 15.2626 17.3425 17.3425 17.7676 17.7676 k = 0.0000 0.3558 0.2882 ( 1862 PWs) bands (ev): -8.3467 -8.3467 -7.6267 -7.6267 3.4912 3.4912 4.4585 4.4585 4.6977 4.6977 5.8626 5.8626 6.2621 6.2621 7.7703 7.7703 8.5409 8.5409 9.5437 9.5437 9.9223 9.9223 10.4561 10.4561 10.6909 10.6909 11.3793 11.3793 11.4747 11.4747 12.0226 12.0226 13.3070 13.3070 15.2833 15.2833 17.3024 17.3024 17.8274 17.8274 k = 0.0000 0.3654 0.2882 ( 1858 PWs) bands (ev): -8.3510 -8.3510 -7.6094 -7.6094 3.4905 3.4905 4.4077 4.4077 4.6918 4.6918 5.8780 5.8780 6.3116 6.3116 7.7960 7.7960 8.5429 8.5429 9.5367 9.5367 9.9046 9.9046 10.4439 10.4439 10.6815 10.6815 11.3597 11.3597 11.4622 11.4622 12.1409 12.1409 13.3265 13.3265 15.3030 15.3030 17.2520 17.2520 17.8873 17.8873 k = 0.0000 0.3750 0.2882 ( 1866 PWs) bands (ev): -8.3552 -8.3552 -7.5929 -7.5929 3.4904 3.4904 4.3591 4.3591 4.6869 4.6869 5.8895 5.8895 6.3624 6.3624 7.8210 7.8210 8.5443 8.5443 9.5292 9.5292 9.8871 9.8871 10.4320 10.4320 10.6722 10.6722 11.3407 11.3407 11.4480 11.4480 12.2573 12.2573 13.3544 13.3544 15.3215 15.3215 17.1910 17.1910 17.9473 17.9473 k = 0.0000 0.3846 0.2882 ( 1866 PWs) bands (ev): -8.3592 -8.3592 -7.5773 -7.5773 3.4909 3.4909 4.3131 4.3131 4.6827 4.6827 5.8979 5.8979 6.4135 6.4135 7.8452 7.8452 8.5450 8.5450 9.5215 9.5215 9.8698 9.8698 10.4208 10.4208 10.6631 10.6631 11.3223 11.3223 11.4332 11.4332 12.3679 12.3679 13.3925 13.3925 15.3390 15.3390 17.1195 17.1195 18.0074 18.0074 k = 0.0000 0.3942 0.2882 ( 1870 PWs) bands (ev): -8.3628 -8.3628 -7.5627 -7.5627 3.4918 3.4918 4.2701 4.2701 4.6791 4.6791 5.9038 5.9038 6.4639 6.4639 7.8685 7.8685 8.5450 8.5450 9.5137 9.5137 9.8531 9.8531 10.4101 10.4101 10.6543 10.6543 11.3047 11.3047 11.4186 11.4186 12.4694 12.4694 13.4426 13.4426 15.3554 15.3554 17.0379 17.0379 18.0677 18.0677 k = 0.0000 0.4038 0.2882 ( 1866 PWs) bands (ev): -8.3663 -8.3663 -7.5492 -7.5492 3.4930 3.4930 4.2303 4.2303 4.6760 4.6760 5.9077 5.9077 6.5128 6.5128 7.8906 7.8906 8.5445 8.5445 9.5062 9.5062 9.8370 9.8370 10.4001 10.4001 10.6459 10.6459 11.2881 11.2881 11.4046 11.4046 12.5589 12.5589 13.5063 13.5063 15.3706 15.3706 16.9469 16.9469 18.1281 18.1281 k = 0.0000 0.4135 0.2882 ( 1862 PWs) bands (ev): -8.3694 -8.3694 -7.5367 -7.5367 3.4945 3.4945 4.1940 4.1940 4.6732 4.6732 5.9102 5.9102 6.5594 6.5594 7.9114 7.9114 8.5435 8.5435 9.4989 9.4989 9.8217 9.8217 10.3908 10.3908 10.6379 10.6379 11.2724 11.2724 11.3915 11.3915 12.6347 12.6347 13.5837 13.5837 15.3847 15.3847 16.8478 16.8478 18.1889 18.1889 k = 0.0000 0.4231 0.2882 ( 1866 PWs) bands (ev): -8.3722 -8.3722 -7.5254 -7.5254 3.4961 3.4961 4.1611 4.1611 4.6707 4.6707 5.9115 5.9115 6.6030 6.6030 7.9308 7.9308 8.5421 8.5421 9.4922 9.4922 9.8074 9.8074 10.3823 10.3823 10.6305 10.6305 11.2580 11.2580 11.3794 11.3794 12.6964 12.6964 13.6738 13.6738 15.3978 15.3978 16.7421 16.7421 18.2500 18.2500 k = 0.0000 0.4327 0.2882 ( 1866 PWs) bands (ev): -8.3748 -8.3748 -7.5153 -7.5153 3.4978 3.4978 4.1319 4.1319 4.6686 4.6686 5.9120 5.9120 6.6431 6.6431 7.9484 7.9484 8.5405 8.5405 9.4860 9.4860 9.7943 9.7943 10.3746 10.3746 10.6237 10.6237 11.2448 11.2448 11.3686 11.3686 12.7452 12.7452 13.7734 13.7734 15.4098 15.4098 16.6321 16.6321 18.3114 18.3114 k = 0.0000 0.4423 0.2882 ( 1862 PWs) bands (ev): -8.3770 -8.3770 -7.5065 -7.5065 3.4994 3.4994 4.1064 4.1064 4.6668 4.6668 5.9120 5.9120 6.6791 6.6791 7.9642 7.9642 8.5386 8.5386 9.4805 9.4805 9.7825 9.7825 10.3678 10.3678 10.6177 10.6177 11.2330 11.2330 11.3590 11.3590 12.7828 12.7828 13.8786 13.8786 15.4209 15.4209 16.5205 16.5205 18.3733 18.3733 k = 0.0000 0.4519 0.2882 ( 1858 PWs) bands (ev): -8.3788 -8.3788 -7.4989 -7.4989 3.5009 3.5009 4.0848 4.0848 4.6652 4.6652 5.9117 5.9117 6.7105 6.7105 7.9780 7.9780 8.5367 8.5367 9.4757 9.4757 9.7722 9.7722 10.3620 10.3620 10.6124 10.6124 11.2228 11.2228 11.3509 11.3509 12.8113 12.8113 13.9842 13.9842 15.4311 15.4311 16.4107 16.4107 18.4355 18.4355 k = 0.0000 0.4615 0.2882 ( 1862 PWs) bands (ev): -8.3804 -8.3804 -7.4927 -7.4927 3.5023 3.5023 4.0670 4.0670 4.6640 4.6640 5.9112 5.9112 6.7368 6.7368 7.9895 7.9895 8.5349 8.5349 9.4717 9.4717 9.7635 9.7635 10.3571 10.3571 10.6080 10.6080 11.2143 11.2143 11.3441 11.3441 12.8324 12.8324 14.0848 14.0848 15.4405 15.4405 16.3071 16.3071 18.4977 18.4977 k = 0.0000 0.4712 0.2882 ( 1866 PWs) bands (ev): -8.3816 -8.3816 -7.4878 -7.4878 3.5034 3.5034 4.0531 4.0531 4.6630 4.6630 5.9106 5.9106 6.7576 6.7576 7.9987 7.9987 8.5334 8.5334 9.4685 9.4685 9.7566 9.7566 10.3533 10.3533 10.6045 10.6045 11.2076 11.2076 11.3389 11.3389 12.8475 12.8475 14.1740 14.1740 15.4489 15.4489 16.2151 16.2151 18.5592 18.5592 k = 0.0000 0.4808 0.2882 ( 1874 PWs) bands (ev): -8.3825 -8.3825 -7.4843 -7.4843 3.5042 3.5042 4.0431 4.0431 4.6623 4.6623 5.9102 5.9102 6.7728 6.7728 8.0053 8.0053 8.5322 8.5322 9.4663 9.4663 9.7516 9.7516 10.3506 10.3506 10.6020 10.6020 11.2027 11.2027 11.3351 11.3351 12.8577 12.8577 14.2450 14.2450 15.4561 15.4561 16.1412 16.1412 18.6178 18.6178 k = 0.0000 0.4904 0.2882 ( 1870 PWs) bands (ev): -8.3830 -8.3830 -7.4822 -7.4822 3.5047 3.5047 4.0371 4.0371 4.6619 4.6619 5.9099 5.9099 6.7820 6.7820 8.0093 8.0093 8.5314 8.5314 9.4649 9.4649 9.7486 9.7486 10.3489 10.3489 10.6004 10.6004 11.1997 11.1997 11.3328 11.3328 12.8635 12.8635 14.2912 14.2912 15.4612 15.4612 16.0928 16.0928 18.6671 18.6671 k = 0.0000 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3832 -8.3832 -7.4815 -7.4815 3.5048 3.5048 4.0351 4.0351 4.6618 4.6618 5.9098 5.9098 6.7850 6.7850 8.0107 8.0107 8.5312 8.5312 9.4644 9.4644 9.7476 9.7476 10.3483 10.3483 10.5999 10.5999 11.1988 11.1988 11.3321 11.3321 12.8654 12.8654 14.3072 14.3072 15.4630 15.4630 16.0758 16.0758 18.6892 18.6892 k = 0.0000 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3832 -8.3832 -7.4815 -7.4815 3.5048 3.5048 4.0351 4.0351 4.6618 4.6618 5.9098 5.9098 6.7850 6.7850 8.0107 8.0107 8.5312 8.5312 9.4644 9.4644 9.7476 9.7476 10.3483 10.3483 10.5999 10.5999 11.1988 11.1988 11.3321 11.3321 12.8654 12.8654 14.3072 14.3072 15.4630 15.4630 16.0758 16.0758 18.6892 18.6892 k = 0.0096 0.5000 0.2882 ( 1876 PWs) bands (ev): -8.3827 -8.3827 -7.4818 -7.4818 3.5060 3.5060 4.0358 4.0358 4.6610 4.6610 5.9092 5.9092 6.7860 6.7860 8.0052 8.0052 8.5327 8.5327 9.4670 9.4670 9.7478 9.7478 10.3484 10.3484 10.5997 10.5997 11.1987 11.1987 11.3314 11.3314 12.8660 12.8660 14.3072 14.3072 15.4610 15.4610 16.0769 16.0769 18.6886 18.6886 k = 0.0192 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3811 -8.3811 -7.4825 -7.4825 3.5097 3.5097 4.0378 4.0378 4.6587 4.6587 5.9076 5.9076 6.7889 6.7889 7.9889 7.9889 8.5374 8.5374 9.4746 9.4746 9.7483 9.7483 10.3487 10.3487 10.5992 10.5992 11.1986 11.1986 11.3293 11.3293 12.8676 12.8676 14.3071 14.3071 15.4551 15.4551 16.0802 16.0802 18.6870 18.6870 k = 0.0288 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3784 -8.3784 -7.4838 -7.4838 3.5158 3.5158 4.0412 4.0412 4.6550 4.6550 5.9050 5.9050 6.7937 6.7937 7.9623 7.9623 8.5451 8.5451 9.4866 9.4866 9.7493 9.7493 10.3491 10.3491 10.5983 10.5983 11.1985 11.1985 11.3258 11.3258 12.8704 12.8704 14.3068 14.3068 15.4454 15.4454 16.0857 16.0857 18.6843 18.6843 k = 0.0385 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3747 -8.3747 -7.4856 -7.4856 3.5243 3.5243 4.0459 4.0459 4.6499 4.6499 5.9012 5.9012 6.8003 6.8003 7.9264 7.9264 8.5556 8.5556 9.5023 9.5023 9.7508 9.7508 10.3498 10.3498 10.5972 10.5972 11.1985 11.1985 11.3210 11.3210 12.8742 12.8742 14.3065 14.3065 15.4321 15.4321 16.0934 16.0934 18.6804 18.6804 k = 0.0481 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.3699 -8.3699 -7.4878 -7.4878 3.5352 3.5352 4.0519 4.0519 4.6436 4.6436 5.8964 5.8964 6.8083 6.8083 7.8821 7.8821 8.5688 8.5688 9.5207 9.5207 9.7528 9.7528 10.3507 10.3507 10.5959 10.5959 11.1984 11.1984 11.3149 11.3149 12.8791 12.8791 14.3060 14.3060 15.4154 15.4154 16.1032 16.1032 18.6755 18.6755 k = 0.0577 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.3641 -8.3641 -7.4906 -7.4906 3.5485 3.5485 4.0592 4.0592 4.6363 4.6363 5.8904 5.8904 6.8176 6.8176 7.8304 7.8304 8.5846 8.5846 9.5409 9.5409 9.7554 9.7554 10.3521 10.3521 10.5947 10.5947 11.1986 11.1986 11.3077 11.3077 12.8850 12.8850 14.3053 14.3053 15.3957 15.3957 16.1150 16.1150 18.6696 18.6696 k = 0.0673 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.3573 -8.3573 -7.4938 -7.4938 3.5642 3.5642 4.0678 4.0678 4.6280 4.6280 5.8833 5.8833 6.8280 6.8280 7.7724 7.7724 8.6027 8.6027 9.5618 9.5618 9.7588 9.7588 10.3540 10.3540 10.5936 10.5936 11.1989 11.1989 11.2996 11.2996 12.8918 12.8918 14.3045 14.3045 15.3732 15.3732 16.1289 16.1289 18.6626 18.6626 k = 0.0769 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.3494 -8.3494 -7.4975 -7.4975 3.5821 3.5821 4.0777 4.0777 4.6190 4.6190 5.8750 5.8750 6.8390 6.8390 7.7089 7.7089 8.6230 8.6230 9.5824 9.5824 9.7631 9.7631 10.3566 10.3566 10.5928 10.5928 11.1994 11.1994 11.2905 11.2905 12.8995 12.8995 14.3034 14.3034 15.3483 15.3483 16.1447 16.1447 18.6545 18.6545 k = 0.0865 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.3407 -8.3407 -7.5016 -7.5016 3.6023 3.6023 4.0887 4.0887 4.6095 4.6095 5.8657 5.8657 6.8503 6.8503 7.6408 7.6408 8.6455 8.6455 9.6017 9.6017 9.7685 9.7685 10.3598 10.3598 10.5925 10.5925 11.2003 11.2003 11.2809 11.2809 12.9081 12.9081 14.3021 14.3021 15.3213 15.3213 16.1625 16.1625 18.6453 18.6453 k = 0.0962 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.3310 -8.3310 -7.5062 -7.5062 3.6247 3.6247 4.1010 4.1010 4.5997 4.5997 5.8552 5.8552 6.8614 6.8614 7.5689 7.5689 8.6698 8.6698 9.6192 9.6192 9.7751 9.7751 10.3639 10.3639 10.5928 10.5928 11.2016 11.2016 11.2708 11.2708 12.9174 12.9174 14.3004 14.3004 15.2925 15.2925 16.1821 16.1821 18.6352 18.6352 k = 0.1058 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.3203 -8.3203 -7.5112 -7.5112 3.6492 3.6492 4.1145 4.1145 4.5899 4.5899 5.8437 5.8437 6.8720 6.8720 7.4938 7.4938 8.6960 8.6960 9.6341 9.6341 9.7829 9.7829 10.3690 10.3690 10.5940 10.5940 11.2031 11.2031 11.2608 11.2608 12.9274 12.9274 14.2985 14.2985 15.2622 15.2622 16.2035 16.2035 18.6240 18.6240 k = 0.1154 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.3088 -8.3088 -7.5165 -7.5165 3.6759 3.6759 4.1290 4.1290 4.5801 4.5801 5.8311 5.8311 6.8814 6.8814 7.4162 7.4162 8.7238 8.7238 9.6463 9.6463 9.7919 9.7919 10.3751 10.3751 10.5961 10.5961 11.2044 11.2044 11.2515 11.2515 12.9381 12.9381 14.2961 14.2961 15.2307 15.2307 16.2267 16.2267 18.6118 18.6118 k = 0.1250 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.2965 -8.2965 -7.5223 -7.5223 3.7045 3.7045 4.1446 4.1446 4.5707 4.5707 5.8176 5.8176 6.8893 6.8893 7.3368 7.3368 8.7530 8.7530 9.6559 9.6559 9.8016 9.8016 10.3823 10.3823 10.5995 10.5995 11.2045 11.2045 11.2444 11.2444 12.9492 12.9492 14.2933 14.2933 15.1984 15.1984 16.2515 16.2515 18.5986 18.5986 k = 0.1346 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.2834 -8.2834 -7.5284 -7.5284 3.7350 3.7350 4.1613 4.1613 4.5619 4.5619 5.8031 5.8031 6.8949 6.8949 7.2562 7.2562 8.7834 8.7834 9.6631 9.6631 9.8119 9.8119 10.3905 10.3905 10.6042 10.6042 11.2016 11.2016 11.2415 11.2415 12.9609 12.9609 14.2900 14.2900 15.1653 15.1653 16.2780 16.2780 18.5845 18.5845 k = 0.1442 0.5000 0.2882 ( 1868 PWs) bands (ev): -8.2695 -8.2695 -7.5349 -7.5349 3.7674 3.7674 4.1788 4.1788 4.5537 4.5537 5.7877 5.7877 6.8974 6.8974 7.1751 7.1751 8.8148 8.8148 9.6682 9.6682 9.8222 9.8222 10.3997 10.3997 10.6105 10.6105 11.1952 11.1952 11.2438 11.2438 12.9729 12.9729 14.2861 14.2861 15.1317 15.1317 16.3061 16.3061 18.5693 18.5693 k = 0.1538 0.5000 0.2882 ( 1864 PWs) bands (ev): -8.2549 -8.2549 -7.5416 -7.5416 3.8016 3.8016 4.1973 4.1973 4.5466 4.5466 5.7716 5.7716 6.8953 6.8953 7.0951 7.0951 8.8470 8.8470 9.6715 9.6715 9.8324 9.8324 10.4099 10.4099 10.6184 10.6184 11.1864 11.1864 11.2504 11.2504 12.9852 12.9852 14.2817 14.2817 15.0979 15.0979 16.3357 16.3357 18.5532 18.5532 k = 0.1635 0.5000 0.2882 ( 1852 PWs) bands (ev): -8.2396 -8.2396 -7.5487 -7.5487 3.8373 3.8373 4.2166 4.2166 4.5405 4.5405 5.7547 5.7547 6.8850 6.8850 7.0198 7.0198 8.8796 8.8796 9.6730 9.6730 9.8424 9.8424 10.4210 10.4210 10.6282 10.6282 11.1769 11.1769 11.2602 11.2602 12.9977 12.9977 14.2766 14.2766 15.0640 15.0640 16.3666 16.3666 18.5361 18.5361 k = 0.1731 0.5000 0.2882 ( 1848 PWs) bands (ev): -8.2237 -8.2237 -7.5560 -7.5560 3.8746 3.8746 4.2366 4.2366 4.5358 4.5358 5.7371 5.7371 6.8564 6.8564 6.9593 6.9593 8.9125 8.9125 9.6730 9.6730 9.8522 9.8522 10.4328 10.4328 10.6398 10.6398 11.1672 11.1672 11.2729 11.2729 13.0103 13.0103 14.2709 14.2709 15.0301 15.0301 16.3990 16.3990 18.5181 18.5181 k = 0.1827 0.5000 0.2882 ( 1856 PWs) bands (ev): -8.2073 -8.2073 -7.5635 -7.5635 3.9132 3.9132 4.2572 4.2572 4.5326 4.5326 5.7190 5.7190 6.7988 6.7988 6.9243 6.9243 8.9454 8.9454 9.6715 9.6715 9.8620 9.8620 10.4451 10.4451 10.6535 10.6535 11.1580 11.1580 11.2883 11.2883 13.0231 13.0231 14.2644 14.2644 14.9963 14.9963 16.4325 16.4325 18.4990 18.4990 k = 0.1923 0.5000 0.2882 ( 1860 PWs) bands (ev): -8.1904 -8.1904 -7.5712 -7.5712 3.9531 3.9531 4.2784 4.2784 4.5310 4.5310 5.7004 5.7004 6.7243 6.7243 6.9027 6.9027 8.9780 8.9780 9.6683 9.6683 9.8718 9.8718 10.4578 10.4578 10.6691 10.6691 11.1496 11.1496 11.3066 11.3066 13.0358 13.0358 14.2572 14.2572 14.9629 14.9629 16.4673 16.4673 18.4789 18.4789 k = 0.2019 0.5000 0.2882 ( 1860 PWs) bands (ev): -8.1730 -8.1730 -7.5792 -7.5792 3.9940 3.9940 4.3000 4.3000 4.5314 4.5314 5.6814 5.6814 6.6445 6.6445 6.8830 6.8830 9.0101 9.0101 9.6635 9.6635 9.8817 9.8817 10.4709 10.4709 10.6867 10.6867 11.1421 11.1421 11.3281 11.3281 13.0485 13.0485 14.2492 14.2492 14.9298 14.9298 16.5031 16.5031 18.4578 18.4578 k = 0.2115 0.5000 0.2882 ( 1860 PWs) bands (ev): -8.1553 -8.1553 -7.5872 -7.5872 4.0358 4.0358 4.3218 4.3218 4.5339 4.5339 5.6621 5.6621 6.5633 6.5633 6.8616 6.8616 9.0413 9.0413 9.6571 9.6571 9.8921 9.8921 10.4840 10.4840 10.7060 10.7060 11.1358 11.1358 11.3529 11.3529 13.0611 13.0611 14.2405 14.2405 14.8971 14.8971 16.5400 16.5400 18.4357 18.4357 k = 0.2212 0.5000 0.2882 ( 1860 PWs) bands (ev): -8.1372 -8.1372 -7.5954 -7.5954 4.0783 4.0783 4.3438 4.3438 4.5386 4.5386 5.6425 5.6425 6.4822 6.4822 6.8372 6.8372 9.0714 9.0714 9.6490 9.6490 9.9028 9.9028 10.4972 10.4972 10.7270 10.7270 11.1308 11.1308 11.3816 11.3816 13.0735 13.0735 14.2311 14.2311 14.8649 14.8649 16.5777 16.5777 18.4126 18.4126 k = 0.2308 0.5000 0.2882 ( 1856 PWs) bands (ev): -8.1188 -8.1188 -7.6037 -7.6037 4.1213 4.1213 4.3659 4.3659 4.5459 4.5459 5.6227 5.6227 6.4017 6.4017 6.8095 6.8095 9.1001 9.1001 9.6394 9.6394 9.9141 9.9141 10.5102 10.5102 10.7492 10.7492 11.1273 11.1273 11.4143 11.4143 13.0857 13.0857 14.2210 14.2210 14.8332 14.8332 16.6162 16.6162 18.3884 18.3884 k = 0.2404 0.5000 0.2882 ( 1852 PWs) bands (ev): -8.1002 -8.1002 -7.6120 -7.6120 4.1645 4.1645 4.3879 4.3879 4.5557 4.5557 5.6028 5.6028 6.3224 6.3224 6.7784 6.7784 9.1271 9.1271 9.6283 9.6283 9.9260 9.9260 10.5229 10.5229 10.7724 10.7724 11.1254 11.1254 11.4515 11.4515 13.0977 13.0977 14.2102 14.2102 14.8021 14.8021 16.6554 16.6554 18.3630 18.3630 k = 0.2500 0.5000 0.2882 ( 1852 PWs) bands (ev): -8.0816 -8.0816 -7.6204 -7.6204 4.2076 4.2076 4.4098 4.4098 4.5683 4.5683 5.5829 5.5829 6.2445 6.2445 6.7438 6.7438 9.1521 9.1521 9.6158 9.6158 9.9385 9.9385 10.5351 10.5351 10.7961 10.7961 11.1251 11.1251 11.4936 11.4936 13.1094 13.1094 14.1988 14.1988 14.7714 14.7714 16.6952 16.6952 18.3365 18.3365 k = 0.2596 0.5000 0.2882 ( 1856 PWs) bands (ev): -8.0628 -8.0628 -7.6287 -7.6287 4.2504 4.2504 4.4316 4.4316 4.5837 4.5837 5.5630 5.5630 6.1682 6.1682 6.7059 6.7059 9.1750 9.1750 9.6022 9.6022 9.9518 9.9518 10.5467 10.5467 10.8200 10.8200 11.1264 11.1264 11.5407 11.5407 13.1209 13.1209 14.1869 14.1869 14.7413 14.7413 16.7354 16.7354 18.3088 18.3088 k = 0.2692 0.5000 0.2882 ( 1856 PWs) bands (ev): -8.0441 -8.0441 -7.6370 -7.6370 4.2924 4.2924 4.4536 4.4536 4.6018 4.6018 5.5432 5.5432 6.0940 6.0940 6.6650 6.6650 9.1954 9.1954 9.5875 9.5875 9.9658 9.9658 10.5576 10.5576 10.8438 10.8438 11.1292 11.1292 11.5932 11.5932 13.1320 13.1320 14.1745 14.1745 14.7118 14.7118 16.7760 16.7760 18.2799 18.2799 k = 0.2788 0.5000 0.2882 ( 1856 PWs) bands (ev): -8.0254 -8.0254 -7.6453 -7.6453 4.3334 4.3334 4.4761 4.4761 4.6224 4.6224 5.5235 5.5235 6.0219 6.0219 6.6212 6.6212 9.2131 9.2131 9.5720 9.5720 9.9807 9.9807 10.5675 10.5675 10.8673 10.8673 11.1336 11.1336 11.6509 11.6509 13.1428 13.1428 14.1619 14.1619 14.6826 14.6826 16.8167 16.8167 18.2497 18.2497 k = 0.2885 0.5000 0.2882 ( 1852 PWs) bands (ev): -8.0069 -8.0069 -7.6534 -7.6534 4.3730 4.3730 4.4992 4.4992 4.6452 4.6452 5.5041 5.5041 5.9522 5.9522 6.5748 6.5748 9.2282 9.2282 9.5557 9.5557 9.9966 9.9966 10.5763 10.5763 10.8904 10.8904 11.1392 11.1392 11.7139 11.7139 13.1532 13.1532 14.1491 14.1491 14.6540 14.6540 16.8575 16.8575 18.2182 18.2182 k = 0.2981 0.5000 0.2882 ( 1848 PWs) bands (ev): -7.9885 -7.9885 -7.6615 -7.6615 4.4108 4.4108 4.5233 4.5233 4.6700 4.6700 5.4848 5.4848 5.8852 5.8852 6.5260 6.5260 9.2405 9.2405 9.5388 9.5388 10.0134 10.0134 10.5840 10.5840 10.9130 10.9130 11.1459 11.1459 11.7820 11.7820 13.1633 13.1633 14.1363 14.1363 14.6257 14.6257 16.8983 16.8983 18.1853 18.1853 k = 0.3077 0.5000 0.2882 ( 1848 PWs) bands (ev): -7.9705 -7.9705 -7.6693 -7.6693 4.4468 4.4468 4.5485 4.5485 4.6965 4.6965 5.4659 5.4659 5.8211 5.8211 6.4751 6.4751 9.2501 9.2501 9.5215 9.5215 10.0313 10.0313 10.5904 10.5904 10.9353 10.9353 11.1535 11.1535 11.8547 11.8547 13.1730 13.1730 14.1236 14.1236 14.5978 14.5978 16.9387 16.9387 18.1510 18.1510 k = 0.3173 0.5000 0.2882 ( 1848 PWs) bands (ev): -7.9528 -7.9528 -7.6770 -7.6770 4.4809 4.4809 4.5747 4.5747 4.7242 4.7242 5.4471 5.4471 5.7602 5.7602 6.4225 6.4225 9.2570 9.2570 9.5039 9.5039 10.0500 10.0500 10.5953 10.5953 10.9571 10.9571 11.1618 11.1618 11.9317 11.9317 13.1823 13.1823 14.1112 14.1112 14.5702 14.5702 16.9788 16.9788 18.1153 18.1153 k = 0.3269 0.5000 0.2882 ( 1844 PWs) bands (ev): -7.9355 -7.9355 -7.6845 -7.6845 4.5136 4.5136 4.6017 4.6017 4.7527 4.7527 5.4287 5.4287 5.7028 5.7028 6.3683 6.3683 9.2616 9.2616 9.4861 9.4861 10.0697 10.0697 10.5989 10.5989 10.9788 10.9788 11.1704 11.1704 12.0124 12.0124 13.1913 13.1913 14.0991 14.0991 14.5429 14.5429 17.0184 17.0184 18.0783 18.0783 k = 0.3365 0.5000 0.2882 ( 1844 PWs) bands (ev): -7.9187 -7.9187 -7.6918 -7.6918 4.5452 4.5452 4.6289 4.6289 4.7814 4.7814 5.4104 5.4104 5.6493 5.6493 6.3129 6.3129 9.2640 9.2640 9.4681 9.4681 10.0901 10.0901 10.6009 10.6009 11.0002 11.0002 11.1792 11.1792 12.0962 12.0962 13.1999 13.1999 14.0877 14.0877 14.5158 14.5158 17.0572 17.0572 18.0398 18.0398 k = 0.3462 0.5000 0.2882 ( 1844 PWs) bands (ev): -7.9025 -7.9025 -7.6988 -7.6988 4.5764 4.5764 4.6558 4.6558 4.8099 4.8099 5.3922 5.3922 5.6001 5.6001 6.2564 6.2564 9.2646 9.2646 9.4502 9.4502 10.1111 10.1111 10.6015 10.6015 11.0215 11.0215 11.1880 11.1880 12.1824 12.1824 13.2080 13.2080 14.0769 14.0769 14.4890 14.4890 17.0952 17.0952 18.0001 18.0001 k = 0.3558 0.5000 0.2882 ( 1852 PWs) bands (ev): -7.8869 -7.8869 -7.7055 -7.7055 4.6075 4.6075 4.6822 4.6822 4.8375 4.8375 5.3741 5.3741 5.5557 5.5557 6.1992 6.1992 9.2636 9.2636 9.4323 9.4323 10.1327 10.1327 10.6006 10.6006 11.0425 11.0425 11.1966 11.1966 12.2704 12.2704 13.2158 13.2158 14.0671 14.0671 14.4624 14.4624 17.1320 17.1320 17.9593 17.9593 k = 0.3654 0.5000 0.2882 ( 1852 PWs) bands (ev): -7.8719 -7.8719 -7.7119 -7.7119 4.6390 4.6390 4.7075 4.7075 4.8635 4.8635 5.3559 5.3559 5.5166 5.5166 6.1416 6.1416 9.2614 9.2614 9.4147 9.4147 10.1546 10.1546 10.5983 10.5983 11.0632 11.0632 11.2050 11.2050 12.3592 12.3592 13.2231 13.2231 14.0582 14.0582 14.4360 14.4360 17.1677 17.1677 17.9174 17.9174 k = 0.3750 0.5000 0.2882 ( 1852 PWs) bands (ev): -7.8577 -7.8577 -7.7179 -7.7179 4.6711 4.6711 4.7317 4.7317 4.8871 4.8871 5.3378 5.3378 5.4832 5.4832 6.0837 6.0837 9.2582 9.2582 9.3973 9.3973 10.1768 10.1768 10.5947 10.5947 11.0835 11.0835 11.2129 11.2129 12.4483 12.4483 13.2299 13.2299 14.0506 14.0506 14.4098 14.4098 17.2019 17.2019 17.8747 17.8747 k = 0.3846 0.5000 0.2882 ( 1856 PWs) bands (ev): -7.8443 -7.8443 -7.7236 -7.7236 4.7038 4.7038 4.7547 4.7547 4.9076 4.9076 5.3199 5.3199 5.4557 5.4557 6.0259 6.0259 9.2545 9.2545 9.3803 9.3803 10.1991 10.1991 10.5897 10.5897 11.1033 11.1033 11.2204 11.2204 12.5367 12.5367 13.2363 13.2363 14.0442 14.0442 14.3838 14.3838 17.2346 17.2346 17.8316 17.8316 k = 0.3942 0.5000 0.2882 ( 1856 PWs) bands (ev): -7.8317 -7.8317 -7.7289 -7.7289 4.7372 4.7372 4.7764 4.7764 4.9243 4.9243 5.3027 5.3027 5.4340 5.4340 5.9684 5.9684 9.2505 9.2505 9.3638 9.3638 10.2213 10.2213 10.5834 10.5834 11.1224 11.1224 11.2273 11.2273 12.6236 12.6236 13.2421 13.2421 14.0392 14.0392 14.3581 14.3581 17.2655 17.2655 17.7883 17.7883 k = 0.4038 0.5000 0.2882 ( 1852 PWs) bands (ev): -7.8200 -7.8200 -7.7338 -7.7338 4.7709 4.7709 4.7971 4.7971 4.9369 4.9369 5.2869 5.2869 5.4178 5.4178 5.9114 5.9114 9.2464 9.2464 9.3479 9.3479 10.2435 10.2435 10.5759 10.5759 11.1407 11.1407 11.2336 11.2336 12.7080 12.7080 13.2474 13.2474 14.0359 14.0359 14.3327 14.3327 17.2945 17.2945 17.7454 17.7454 k = 0.4135 0.5000 0.2882 ( 1856 PWs) bands (ev): -7.8093 -7.8093 -7.7384 -7.7384 4.8027 4.8027 4.8188 4.8188 4.9452 4.9452 5.2727 5.2727 5.4066 5.4066 5.8554 5.8554 9.2425 9.2425 9.3328 9.3328 10.2654 10.2654 10.5672 10.5672 11.1580 11.1580 11.2392 11.2392 12.7891 12.7891 13.2521 13.2521 14.0342 14.0342 14.3075 14.3075 17.3214 17.3214 17.7034 17.7034 k = 0.4231 0.5000 0.2882 ( 1856 PWs) bands (ev): -7.7996 -7.7996 -7.7425 -7.7425 4.8260 4.8260 4.8475 4.8475 4.9498 4.9498 5.2601 5.2601 5.4000 5.4000 5.8006 5.8006 9.2390 9.2390 9.3184 9.3184 10.2871 10.2871 10.5574 10.5574 11.1741 11.1741 11.2441 11.2441 12.8659 12.8659 13.2561 13.2561 14.0343 14.0343 14.2828 14.2828 17.3460 17.3460 17.6628 17.6628 k = 0.4327 0.5000 0.2882 ( 1856 PWs) bands (ev): -7.7909 -7.7909 -7.7461 -7.7461 4.8426 4.8426 4.8803 4.8803 4.9524 4.9524 5.2487 5.2487 5.3974 5.3974 5.7475 5.7475 9.2360 9.2360 9.3049 9.3049 10.3085 10.3085 10.5465 10.5465 11.1889 11.1889 11.2483 11.2483 12.9374 12.9374 13.2592 13.2592 14.0363 14.0363 14.2584 14.2584 17.3682 17.3682 17.6244 17.6244 k = 0.4423 0.5000 0.2882 ( 1852 PWs) bands (ev): -7.7833 -7.7833 -7.7493 -7.7493 4.8564 4.8564 4.9093 4.9093 4.9577 4.9577 5.2379 5.2379 5.3985 5.3985 5.6964 5.6964 9.2337 9.2337 9.2924 9.2924 10.3294 10.3294 10.5346 10.5346 11.2023 11.2023 11.2517 11.2517 13.0028 13.0028 13.2615 13.2615 14.0403 14.0403 14.2345 14.2345 17.3880 17.3880 17.5888 17.5888 k = 0.4519 0.5000 0.2882 ( 1848 PWs) bands (ev): -7.7768 -7.7768 -7.7520 -7.7520 4.8683 4.8683 4.9233 4.9233 4.9765 4.9765 5.2266 5.2266 5.4026 5.4026 5.6481 5.6481 9.2324 9.2324 9.2809 9.2809 10.3500 10.3500 10.5217 10.5217 11.2143 11.2143 11.2542 11.2542 13.0611 13.0611 13.2626 13.2626 14.0465 14.0465 14.2113 14.2113 17.4053 17.4053 17.5568 17.5568 k = 0.4615 0.5000 0.2882 ( 1848 PWs) bands (ev): -7.7714 -7.7714 -7.7543 -7.7543 4.8784 4.8784 4.9239 4.9239 5.0076 5.0076 5.2141 5.2141 5.4096 5.4096 5.6030 5.6030 9.2319 9.2319 9.2706 9.2706 10.3700 10.3700 10.5080 10.5080 11.2247 11.2247 11.2557 11.2557 13.1117 13.1117 13.2622 13.2622 14.0547 14.0547 14.1887 14.1887 17.4200 17.4200 17.5288 17.5288 k = 0.4712 0.5000 0.2882 ( 1840 PWs) bands (ev): -7.7671 -7.7671 -7.7562 -7.7562 4.8870 4.8870 4.9204 4.9204 5.0417 5.0417 5.1995 5.1995 5.4194 5.4194 5.5621 5.5621 9.2326 9.2326 9.2615 9.2615 10.3895 10.3895 10.4933 10.4933 11.2336 11.2336 11.2563 11.2563 13.1542 13.1542 13.2600 13.2600 14.0651 14.0651 14.1669 14.1669 17.4324 17.4324 17.5054 17.5054 k = 0.4808 0.5000 0.2882 ( 1832 PWs) bands (ev): -7.7639 -7.7639 -7.7576 -7.7576 4.8942 4.8942 4.9158 4.9158 5.0754 5.0754 5.1819 5.1819 5.4322 5.4322 5.5258 5.5258 9.2343 9.2343 9.2536 9.2536 10.4085 10.4085 10.4778 10.4778 11.2410 11.2410 11.2558 11.2558 13.1884 13.1884 13.2551 13.2551 14.0776 14.0776 14.1462 14.1462 17.4428 17.4428 17.4868 17.4868 k = 0.4904 0.5000 0.2882 ( 1832 PWs) bands (ev): -7.7616 -7.7616 -7.7589 -7.7589 4.9004 4.9004 4.9109 4.9109 5.1071 5.1071 5.1608 5.1608 5.4485 5.4485 5.4948 5.4948 9.2373 9.2373 9.2469 9.2469 10.4268 10.4268 10.4615 10.4615 11.2468 11.2468 11.2541 11.2541 13.2146 13.2146 13.2467 13.2467 14.0922 14.0922 14.1267 14.1267 17.4520 17.4520 17.4724 17.4724 k = 0.5000 0.5000 0.2882 ( 1832 PWs) bands (ev): -7.7600 -7.7600 -7.7600 -7.7600 4.9059 4.9059 4.9059 4.9059 5.1358 5.1358 5.1358 5.1358 5.4692 5.4692 5.4692 5.4692 9.2415 9.2415 9.2415 9.2415 10.4445 10.4445 10.4445 10.4445 11.2511 11.2511 11.2511 11.2511 13.2337 13.2337 13.2337 13.2337 14.1086 14.1086 14.1086 14.1086 17.4613 17.4613 17.4613 17.4613 k = 0.5000 0.5000 0.2882 ( 1832 PWs) bands (ev): -7.7600 -7.7600 -7.7600 -7.7600 4.9059 4.9059 4.9059 4.9059 5.1358 5.1358 5.1358 5.1358 5.4692 5.4692 5.4692 5.4692 9.2415 9.2415 9.2415 9.2415 10.4445 10.4445 10.4445 10.4445 11.2511 11.2511 11.2511 11.2511 13.2337 13.2337 13.2337 13.2337 14.1086 14.1086 14.1086 14.1086 17.4613 17.4613 17.4613 17.4613 k = 0.4932 0.4932 0.2882 ( 1832 PWs) bands (ev): -7.7615 -7.7615 -7.7589 -7.7589 4.9004 4.9004 4.9109 4.9109 5.1071 5.1071 5.1606 5.1606 5.4489 5.4489 5.4946 5.4946 9.2373 9.2373 9.2469 9.2469 10.4267 10.4267 10.4617 10.4617 11.2467 11.2467 11.2541 11.2541 13.2147 13.2147 13.2466 13.2466 14.0921 14.0921 14.1268 14.1268 17.4523 17.4523 17.4722 17.4722 k = 0.4863 0.4863 0.2882 ( 1832 PWs) bands (ev): -7.7634 -7.7634 -7.7581 -7.7581 4.8946 4.8946 4.9152 4.9152 5.0767 5.0767 5.1793 5.1793 5.4360 5.4360 5.5235 5.5235 9.2343 9.2343 9.2536 9.2536 10.4082 10.4082 10.4781 10.4781 11.2409 11.2409 11.2558 11.2558 13.1898 13.1898 13.2532 13.2532 14.0774 14.0774 14.1465 14.1465 17.4452 17.4452 17.4846 17.4846 k = 0.4795 0.4795 0.2882 ( 1842 PWs) bands (ev): -7.7656 -7.7656 -7.7577 -7.7577 4.8883 4.8883 4.9179 4.9179 5.0465 5.0465 5.1897 5.1897 5.4330 5.4330 5.5547 5.5547 9.2327 9.2327 9.2615 9.2615 10.3890 10.3890 10.4937 10.4937 11.2335 11.2335 11.2564 11.2564 13.1593 13.1593 13.2535 13.2535 14.0646 14.0646 14.1675 14.1675 17.4402 17.4402 17.4985 17.4985 k = 0.4726 0.4726 0.2882 ( 1846 PWs) bands (ev): -7.7681 -7.7681 -7.7577 -7.7577 4.8811 4.8811 4.9167 4.9167 5.0197 5.0197 5.1911 5.1911 5.4407 5.4407 5.5873 5.5873 9.2323 9.2323 9.2706 9.2706 10.3693 10.3693 10.5085 10.5085 11.2248 11.2248 11.2560 11.2560 13.1235 13.1235 13.2474 13.2474 14.0538 14.0538 14.1894 14.1894 17.4374 17.4374 17.5136 17.5136 k = 0.4658 0.4658 0.2882 ( 1850 PWs) bands (ev): -7.7710 -7.7710 -7.7580 -7.7580 4.8728 4.8728 4.9072 4.9072 5.0011 5.0011 5.1853 5.1853 5.4578 5.4578 5.6210 5.6210 9.2332 9.2332 9.2808 9.2808 10.3489 10.3489 10.5224 10.5224 11.2146 11.2146 11.2548 11.2548 13.0826 13.0826 13.2350 13.2350 14.0450 14.0450 14.2120 14.2120 17.4369 17.4369 17.5298 17.5298 k = 0.4589 0.4589 0.2882 ( 1850 PWs) bands (ev): -7.7742 -7.7742 -7.7587 -7.7587 4.8628 4.8628 4.8866 4.8866 4.9941 4.9941 5.1753 5.1753 5.4815 5.4815 5.6552 5.6552 9.2354 9.2354 9.2921 9.2921 10.3281 10.3281 10.5354 10.5354 11.2032 11.2032 11.2529 11.2529 13.0370 13.0370 13.2163 13.2163 14.0379 14.0379 14.2351 14.2351 17.4389 17.4389 17.5469 17.5469 k = 0.4521 0.4521 0.2882 ( 1850 PWs) bands (ev): -7.7778 -7.7778 -7.7598 -7.7598 4.8509 4.8509 4.8576 4.8576 4.9960 4.9960 5.1641 5.1641 5.5093 5.5093 5.6897 5.6897 9.2388 9.2388 9.3043 9.3043 10.3068 10.3068 10.5473 10.5473 11.1908 11.1908 11.2506 11.2506 12.9870 12.9870 13.1916 13.1916 14.0325 14.0325 14.2583 14.2583 17.4433 17.4433 17.5648 17.5648 k = 0.4452 0.4452 0.2882 ( 1856 PWs) bands (ev): -7.7817 -7.7817 -7.7612 -7.7612 4.8242 4.8242 4.8365 4.8365 5.0031 5.0031 5.1535 5.1535 5.5397 5.5397 5.7242 5.7242 9.2433 9.2433 9.3174 9.3174 10.2853 10.2853 10.5579 10.5579 11.1775 11.1775 11.2480 11.2480 12.9328 12.9328 13.1611 13.1611 14.0286 14.0286 14.2814 14.2814 17.4502 17.4502 17.5833 17.5833 k = 0.4384 0.4384 0.2882 ( 1856 PWs) bands (ev): -7.7859 -7.7859 -7.7629 -7.7629 4.7888 4.7888 4.8196 4.8196 5.0132 5.0132 5.1451 5.1451 5.5715 5.5715 5.7587 5.7587 9.2490 9.2490 9.3313 9.3313 10.2635 10.2635 10.5672 10.5672 11.1638 11.1638 11.2453 11.2453 12.8748 12.8748 13.1250 13.1250 14.0259 14.0259 14.3041 14.3041 17.4596 17.4596 17.6023 17.6023 k = 0.4315 0.4315 0.2882 ( 1856 PWs) bands (ev): -7.7904 -7.7904 -7.7651 -7.7651 4.7526 4.7526 4.8001 4.8001 5.0253 5.0253 5.1394 5.1394 5.6039 5.6039 5.7928 5.7928 9.2557 9.2557 9.3457 9.3457 10.2418 10.2418 10.5750 10.5750 11.1499 11.1499 11.2426 11.2426 12.8133 12.8133 13.0838 13.0838 14.0242 14.0242 14.3262 14.3262 17.4712 17.4712 17.6217 17.6217 k = 0.4247 0.4247 0.2882 ( 1852 PWs) bands (ev): -7.7953 -7.7953 -7.7676 -7.7676 4.7159 4.7159 4.7781 4.7781 5.0390 5.0390 5.1367 5.1367 5.6364 5.6364 5.8265 5.8265 9.2634 9.2634 9.3607 9.3607 10.2202 10.2202 10.5811 10.5811 11.1362 11.1362 11.2400 11.2400 12.7486 12.7486 13.0378 13.0378 14.0233 14.0233 14.3473 14.3473 17.4851 17.4851 17.6414 17.6414 k = 0.4178 0.4178 0.2882 ( 1856 PWs) bands (ev): -7.8004 -7.8004 -7.7704 -7.7704 4.6791 4.6791 4.7540 4.7540 5.0542 5.0542 5.1371 5.1371 5.6688 5.6688 5.8596 5.8596 9.2720 9.2720 9.3760 9.3760 10.1991 10.1991 10.5852 10.5852 11.1232 11.1232 11.2375 11.2375 12.6810 12.6810 12.9873 12.9873 14.0230 14.0230 14.3674 14.3674 17.5011 17.5011 17.6611 17.6611 k = 0.4110 0.4110 0.2882 ( 1856 PWs) bands (ev): -7.8059 -7.8059 -7.7737 -7.7737 4.6425 4.6425 4.7281 4.7281 5.0706 5.0706 5.1404 5.1404 5.7006 5.7006 5.8921 5.8921 9.2815 9.2815 9.3914 9.3914 10.1786 10.1786 10.5872 10.5872 11.1111 11.1111 11.2353 11.2353 12.6109 12.6109 12.9326 12.9326 14.0231 14.0231 14.3862 14.3862 17.5189 17.5189 17.6809 17.6809 k = 0.4041 0.4041 0.2882 ( 1856 PWs) bands (ev): -7.8116 -7.8116 -7.7772 -7.7772 4.6061 4.6061 4.7008 4.7008 5.0882 5.0882 5.1463 5.1463 5.7318 5.7318 5.9237 5.9237 9.2917 9.2917 9.4067 9.4067 10.1590 10.1590 10.5870 10.5870 11.1004 11.1004 11.2333 11.2333 12.5386 12.5386 12.8743 12.8743 14.0234 14.0234 14.4034 14.4034 17.5383 17.5383 17.7006 17.7006 k = 0.3973 0.3973 0.2882 ( 1856 PWs) bands (ev): -7.8176 -7.8176 -7.7811 -7.7811 4.5701 4.5701 4.6726 4.6726 5.1070 5.1070 5.1547 5.1547 5.7622 5.7622 5.9543 5.9543 9.3025 9.3025 9.4217 9.4217 10.1408 10.1408 10.5845 10.5845 11.0913 11.0913 11.2315 11.2315 12.4646 12.4646 12.8127 12.8127 14.0238 14.0238 14.4191 14.4191 17.5590 17.5590 17.7200 17.7200 k = 0.3904 0.3904 0.2882 ( 1848 PWs) bands (ev): -7.8239 -7.8239 -7.7854 -7.7854 4.5346 4.5346 4.6436 4.6436 5.1270 5.1270 5.1652 5.1652 5.7915 5.7915 5.9840 5.9840 9.3138 9.3138 9.4363 9.4363 10.1240 10.1240 10.5798 10.5798 11.0840 11.0840 11.2299 11.2299 12.3891 12.3891 12.7483 12.7483 14.0241 14.0241 14.4330 14.4330 17.5807 17.5807 17.7390 17.7390 k = 0.3836 0.3836 0.2882 ( 1848 PWs) bands (ev): -7.8305 -7.8305 -7.7900 -7.7900 4.4996 4.4996 4.6143 4.6143 5.1481 5.1481 5.1777 5.1777 5.8196 5.8196 6.0124 6.0124 9.3255 9.3255 9.4500 9.4500 10.1092 10.1092 10.5728 10.5728 11.0786 11.0786 11.2282 11.2282 12.3127 12.3127 12.6813 12.6813 14.0243 14.0243 14.4451 14.4451 17.6030 17.6030 17.7575 17.7575 k = 0.3767 0.3767 0.2882 ( 1846 PWs) bands (ev): -7.8373 -7.8373 -7.7949 -7.7949 4.4652 4.4652 4.5848 4.5848 5.1703 5.1703 5.1920 5.1920 5.8464 5.8464 6.0395 6.0395 9.3375 9.3375 9.4628 9.4628 10.0965 10.0965 10.5640 10.5640 11.0750 11.0750 11.2264 11.2264 12.2357 12.2357 12.6124 12.6124 14.0242 14.0242 14.4553 14.4553 17.6258 17.6258 17.7752 17.7752 k = 0.3699 0.3699 0.2882 ( 1844 PWs) bands (ev): -7.8443 -7.8443 -7.8002 -7.8002 4.4314 4.4314 4.5554 4.5554 5.1937 5.1937 5.2080 5.2080 5.8718 5.8718 6.0652 6.0652 9.3495 9.3495 9.4744 9.4744 10.0861 10.0861 10.5535 10.5535 11.0731 11.0731 11.2242 11.2242 12.1587 12.1587 12.5419 12.5419 14.0238 14.0238 14.4635 14.4635 17.6484 17.6484 17.7921 17.7921 k = 0.3630 0.3630 0.2882 ( 1844 PWs) bands (ev): -7.8516 -7.8516 -7.8058 -7.8058 4.3984 4.3984 4.5262 4.5262 5.2181 5.2181 5.2256 5.2256 5.8955 5.8955 6.0894 6.0894 9.3614 9.3614 9.4847 9.4847 10.0782 10.0782 10.5418 10.5418 11.0727 11.0727 11.2214 11.2214 12.0824 12.0824 12.4704 12.4704 14.0230 14.0230 14.4698 14.4698 17.6707 17.6707 17.8078 17.8078 k = 0.3562 0.3562 0.2882 ( 1844 PWs) bands (ev): -7.8591 -7.8591 -7.8117 -7.8117 4.3661 4.3661 4.4973 4.4973 5.2436 5.2436 5.2447 5.2447 5.9175 5.9175 6.1119 6.1119 9.3731 9.3731 9.4937 9.4937 10.0730 10.0730 10.5293 10.5293 11.0734 11.0734 11.2175 11.2175 12.0073 12.0073 12.3982 12.3982 14.0218 14.0218 14.4740 14.4740 17.6922 17.6922 17.8224 17.8224 k = 0.3493 0.3493 0.2882 ( 1850 PWs) bands (ev): -7.8669 -7.8669 -7.8179 -7.8179 4.3347 4.3347 4.4689 4.4689 5.2651 5.2651 5.2702 5.2702 5.9376 5.9376 6.1326 6.1326 9.3844 9.3844 9.5014 9.5014 10.0701 10.0701 10.5163 10.5163 11.0749 11.0749 11.2122 11.2122 11.9344 11.9344 12.3260 12.3260 14.0202 14.0202 14.4764 14.4764 17.7126 17.7126 17.8355 17.8355 k = 0.3425 0.3425 0.2882 ( 1850 PWs) bands (ev): -7.8748 -7.8748 -7.8244 -7.8244 4.3041 4.3041 4.4411 4.4411 5.2869 5.2869 5.2979 5.2979 5.9557 5.9557 6.1515 6.1515 9.3950 9.3950 9.5078 9.5078 10.0695 10.0695 10.5033 10.5033 11.0768 11.0768 11.2046 11.2046 11.8645 11.8645 12.2543 12.2543 14.0182 14.0182 14.4768 14.4768 17.7315 17.7315 17.8470 17.8470 k = 0.3356 0.3356 0.2882 ( 1854 PWs) bands (ev): -7.8830 -7.8830 -7.8312 -7.8312 4.2745 4.2745 4.4140 4.4140 5.3099 5.3099 5.3266 5.3266 5.9718 5.9718 6.1684 6.1684 9.4047 9.4047 9.5133 9.5133 10.0709 10.0709 10.4908 10.4908 11.0787 11.0787 11.1943 11.1943 11.7989 11.7989 12.1835 12.1835 14.0157 14.0158 14.4755 14.4755 17.7485 17.7485 17.8568 17.8568 k = 0.3288 0.3288 0.2882 ( 1862 PWs) bands (ev): -7.8913 -7.8913 -7.8383 -7.8383 4.2458 4.2458 4.3876 4.3876 5.3342 5.3342 5.3563 5.3563 5.9856 5.9856 6.1832 6.1832 9.4134 9.4134 9.5180 9.5180 10.0736 10.0736 10.4789 10.4789 11.0803 11.0803 11.1802 11.1802 11.7388 11.7388 12.1144 12.1144 14.0129 14.0129 14.4724 14.4724 17.7634 17.7634 17.8646 17.8646 k = 0.3219 0.3219 0.2882 ( 1862 PWs) bands (ev): -7.8998 -7.8998 -7.8456 -7.8456 4.2181 4.2181 4.3621 4.3621 5.3597 5.3597 5.3871 5.3871 5.9971 5.9971 6.1958 6.1958 9.4207 9.4207 9.5222 9.5222 10.0770 10.0770 10.4682 10.4682 11.0810 11.0810 11.1617 11.1617 11.6855 11.6855 12.0476 12.0476 14.0098 14.0098 14.4677 14.4677 17.7759 17.7759 17.8702 17.8702 k = 0.3151 0.3151 0.2882 ( 1858 PWs) bands (ev): -7.9084 -7.9084 -7.8532 -7.8532 4.1914 4.1914 4.3375 4.3375 5.3863 5.3863 5.4188 5.4188 6.0063 6.0063 6.2062 6.2062 9.4266 9.4266 9.5263 9.5263 10.0806 10.0806 10.4587 10.4587 11.0803 11.0803 11.1384 11.1384 11.6399 11.6399 11.9838 11.9838 14.0064 14.0064 14.4614 14.4614 17.7857 17.7857 17.8737 17.8737 k = 0.3082 0.3082 0.2882 ( 1862 PWs) bands (ev): -7.9172 -7.9172 -7.8611 -7.8611 4.1658 4.1658 4.3138 4.3138 5.4140 5.4140 5.4516 5.4516 6.0130 6.0130 6.2143 6.2143 9.4306 9.4306 9.5303 9.5303 10.0835 10.0835 10.4508 10.4508 11.0778 11.0778 11.1102 11.1102 11.6027 11.6027 11.9237 11.9237 14.0027 14.0027 14.4538 14.4538 17.7926 17.7926 17.8747 17.8747 k = 0.3014 0.3014 0.2882 ( 1866 PWs) bands (ev): -7.9261 -7.9261 -7.8691 -7.8691 4.1413 4.1413 4.2912 4.2912 5.4427 5.4427 5.4852 5.4852 6.0172 6.0172 6.2199 6.2199 9.4326 9.4326 9.5346 9.5346 10.0848 10.0848 10.4446 10.4446 11.0731 11.0731 11.0780 11.0780 11.5737 11.5737 11.8679 11.8679 13.9989 13.9989 14.4449 14.4449 17.7963 17.7963 17.8731 17.8731 k = 0.2945 0.2945 0.2882 ( 1870 PWs) bands (ev): -7.9351 -7.9351 -7.8774 -7.8774 4.1180 4.1180 4.2696 4.2696 5.4723 5.4723 5.5198 5.5198 6.0190 6.0190 6.2231 6.2231 9.4323 9.4323 9.5392 9.5392 10.0839 10.0839 10.4403 10.4403 11.0433 11.0433 11.0655 11.0655 11.5523 11.5523 11.8173 11.8173 13.9950 13.9950 14.4349 14.4349 17.7968 17.7968 17.8690 17.8690 k = 0.2877 0.2877 0.2882 ( 1870 PWs) bands (ev): -7.9442 -7.9442 -7.8859 -7.8859 4.0959 4.0959 4.2491 4.2491 5.5029 5.5029 5.5553 5.5553 6.0183 6.0183 6.2239 6.2239 9.4296 9.4296 9.5440 9.5440 10.0800 10.0800 10.4380 10.4380 11.0079 11.0079 11.0547 11.0547 11.5372 11.5372 11.7726 11.7726 13.9912 13.9912 14.4240 14.4240 17.7939 17.7939 17.8622 17.8622 k = 0.2808 0.2808 0.2882 ( 1868 PWs) bands (ev): -7.9534 -7.9534 -7.8946 -7.8946 4.0750 4.0750 4.2298 4.2298 5.5342 5.5342 5.5917 5.5917 6.0152 6.0152 6.2222 6.2222 9.4241 9.4241 9.5489 9.5489 10.0727 10.0727 10.4377 10.4377 10.9739 10.9739 11.0403 11.0403 11.5274 11.5274 11.7341 11.7341 13.9875 13.9875 14.4122 14.4122 17.7875 17.7875 17.8527 17.8527 k = 0.2740 0.2740 0.2882 ( 1864 PWs) bands (ev): -7.9626 -7.9626 -7.9035 -7.9035 4.0553 4.0553 4.2117 4.2117 5.5662 5.5662 5.6288 5.6288 6.0099 6.0099 6.2181 6.2181 9.4157 9.4157 9.5535 9.5535 10.0617 10.0617 10.4395 10.4395 10.9426 10.9426 11.0225 11.0225 11.5217 11.5217 11.7022 11.7022 13.9840 13.9840 14.3999 14.3999 17.7776 17.7776 17.8404 17.8404 k = 0.2671 0.2671 0.2882 ( 1866 PWs) bands (ev): -7.9719 -7.9719 -7.9125 -7.9125 4.0369 4.0369 4.1949 4.1949 5.5986 5.5986 5.6666 5.6666 6.0025 6.0025 6.2116 6.2116 9.4043 9.4043 9.5570 9.5570 10.0473 10.0473 10.4434 10.4434 10.9153 10.9153 11.0012 11.0012 11.5193 11.5193 11.6768 11.6768 13.9809 13.9809 14.3870 14.3870 17.7641 17.7641 17.8253 17.8253 k = 0.2603 0.2603 0.2882 ( 1866 PWs) bands (ev): -7.9813 -7.9813 -7.9217 -7.9217 4.0199 4.0199 4.1793 4.1793 5.6311 5.6311 5.7049 5.7049 5.9934 5.9934 6.2028 6.2028 9.3897 9.3897 9.5585 9.5585 10.0306 10.0306 10.4493 10.4493 10.8925 10.8925 10.9769 10.9769 11.5197 11.5197 11.6578 11.6578 13.9781 13.9781 14.3739 14.3739 17.7470 17.7470 17.8074 17.8074 k = 0.2534 0.2534 0.2882 ( 1868 PWs) bands (ev): -7.9906 -7.9906 -7.9310 -7.9310 4.0041 4.0041 4.1651 4.1651 5.6632 5.6632 5.7437 5.7437 5.9831 5.9831 6.1919 6.1919 9.3719 9.3719 9.5568 9.5568 10.0129 10.0129 10.4572 10.4572 10.8743 10.8743 10.9501 10.9501 11.5222 11.5222 11.6447 11.6447 13.9759 13.9759 14.3606 14.3606 17.7265 17.7265 17.7867 17.7867 k = 0.2466 0.2466 0.2882 ( 1864 PWs) bands (ev): -7.9999 -7.9999 -7.9404 -7.9404 3.9897 3.9897 4.1521 4.1521 5.6941 5.6941 5.7827 5.7827 5.9726 5.9726 6.1792 6.1792 9.3509 9.3509 9.5502 9.5502 9.9964 9.9964 10.4669 10.4669 10.8605 10.8605 10.9216 10.9216 11.5267 11.5267 11.6367 11.6367 13.9744 13.9744 14.3473 14.3473 17.7025 17.7025 17.7633 17.7633 k = 0.2397 0.2397 0.2882 ( 1852 PWs) bands (ev): -8.0093 -8.0093 -7.9499 -7.9499 3.9768 3.9768 4.1406 4.1406 5.7221 5.7221 5.8214 5.8214 5.9635 5.9635 6.1650 6.1650 9.3267 9.3267 9.5372 9.5372 9.9834 9.9834 10.4784 10.4784 10.8503 10.8503 10.8919 10.8919 11.5328 11.5328 11.6333 11.6333 13.9736 13.9736 14.3342 14.3342 17.6753 17.6753 17.7372 17.7372 k = 0.2329 0.2329 0.2882 ( 1852 PWs) bands (ev): -8.0186 -8.0186 -7.9595 -7.9595 3.9652 3.9652 4.1304 4.1304 5.7449 5.7449 5.8592 5.8592 5.9582 5.9582 6.1502 6.1502 9.2995 9.2995 9.5165 9.5165 9.9757 9.9757 10.4914 10.4914 10.8430 10.8430 10.8617 10.8617 11.5405 11.5405 11.6338 11.6338 13.9736 13.9736 14.3215 14.3215 17.6449 17.6449 17.7085 17.7085 k = 0.2260 0.2260 0.2882 ( 1852 PWs) bands (ev): -8.0278 -8.0278 -7.9691 -7.9691 3.9550 3.9550 4.1217 4.1217 5.7589 5.7589 5.8946 5.8946 5.9604 5.9604 6.1361 6.1361 9.2694 9.2694 9.4878 9.4878 9.9745 9.9745 10.5056 10.5056 10.8317 10.8317 10.8379 10.8379 11.5496 11.5496 11.6376 11.6376 13.9746 13.9746 14.3092 14.3092 17.6114 17.6114 17.6772 17.6772 k = 0.2192 0.2192 0.2882 ( 1856 PWs) bands (ev): -8.0370 -8.0370 -7.9788 -7.9788 3.9462 3.9462 4.1143 4.1143 5.7613 5.7613 5.9249 5.9249 5.9730 5.9730 6.1255 6.1255 9.2367 9.2367 9.4515 9.4515 9.9798 9.9798 10.5205 10.5205 10.8022 10.8022 10.8341 10.8341 11.5601 11.5601 11.6443 11.6443 13.9766 13.9766 14.2976 14.2976 17.5750 17.5750 17.6436 17.6436 k = 0.2123 0.2123 0.2882 ( 1856 PWs) bands (ev): -8.0461 -8.0461 -7.9885 -7.9885 3.9389 3.9389 4.1084 4.1084 5.7523 5.7523 5.9454 5.9454 5.9957 5.9957 6.1233 6.1233 9.2016 9.2016 9.4089 9.4089 9.9910 9.9910 10.5356 10.5356 10.7742 10.7742 10.8311 10.8311 11.5719 11.5719 11.6533 11.6533 13.9798 13.9798 14.2867 14.2867 17.5359 17.5359 17.6076 17.6076 k = 0.2055 0.2055 0.2882 ( 1852 PWs) bands (ev): -8.0550 -8.0550 -7.9982 -7.9982 3.9331 3.9331 4.1040 4.1040 5.7346 5.7346 5.9511 5.9511 6.0262 6.0262 6.1345 6.1345 9.1645 9.1645 9.3615 9.3615 10.0069 10.0069 10.5497 10.5497 10.7485 10.7485 10.8282 10.8282 11.5850 11.5850 11.6643 11.6643 13.9842 13.9842 14.2768 14.2768 17.4943 17.4943 17.5694 17.5694 k = 0.1986 0.1986 0.2882 ( 1852 PWs) bands (ev): -8.0639 -8.0639 -8.0079 -8.0079 3.9288 3.9288 4.1011 4.1011 5.7107 5.7107 5.9416 5.9416 6.0618 6.0618 6.1593 6.1593 9.1256 9.1256 9.3104 9.3104 10.0266 10.0266 10.5610 10.5610 10.7269 10.7269 10.8252 10.8252 11.5994 11.5994 11.6770 11.6770 13.9898 13.9898 14.2679 14.2679 17.4504 17.4504 17.5291 17.5291 k = 0.1918 0.1918 0.2882 ( 1852 PWs) bands (ev): -8.0726 -8.0726 -8.0175 -8.0175 3.9260 3.9260 4.0996 4.0996 5.6825 5.6825 5.9215 5.9215 6.1008 6.1008 6.1935 6.1935 9.0854 9.0854 9.2570 9.2570 10.0489 10.0489 10.5663 10.5663 10.7122 10.7122 10.8217 10.8217 11.6149 11.6149 11.6911 11.6911 13.9969 13.9969 14.2602 14.2602 17.4044 17.4044 17.4869 17.4869 k = 0.1849 0.1849 0.2882 ( 1856 PWs) bands (ev): -8.0811 -8.0811 -8.0271 -8.0271 3.9246 3.9246 4.0996 4.0996 5.6511 5.6511 5.8949 5.8949 6.1420 6.1420 6.2329 6.2329 9.0441 9.0441 9.2021 9.2021 10.0729 10.0729 10.5623 10.5623 10.7076 10.7076 10.8177 10.8177 11.6315 11.6315 11.7064 11.7064 14.0053 14.0053 14.2537 14.2537 17.3565 17.3565 17.4430 17.4430 k = 0.1781 0.1781 0.2882 ( 1856 PWs) bands (ev): -8.0895 -8.0895 -8.0366 -8.0366 3.9248 3.9248 4.1012 4.1012 5.6174 5.6174 5.8640 5.8640 6.1849 6.1849 6.2753 6.2753 9.0021 9.0021 9.1466 9.1466 10.0978 10.0978 10.5485 10.5485 10.7134 10.7134 10.8131 10.8131 11.6490 11.6490 11.7227 11.7227 14.0152 14.0152 14.2486 14.2486 17.3069 17.3069 17.3973 17.3973 k = 0.1712 0.1712 0.2882 ( 1864 PWs) bands (ev): -8.0977 -8.0977 -8.0460 -8.0460 3.9264 3.9264 4.1042 4.1042 5.5817 5.5817 5.8301 5.8301 6.2290 6.2290 6.3193 6.3193 8.9597 8.9597 9.0910 9.0910 10.1228 10.1228 10.5276 10.5276 10.7266 10.7266 10.8080 10.8080 11.6674 11.6674 11.7397 11.7397 14.0265 14.0265 14.2449 14.2449 17.2558 17.2558 17.3502 17.3502 k = 0.1644 0.1644 0.2882 ( 1864 PWs) bands (ev): -8.1056 -8.1056 -8.0552 -8.0552 3.9296 3.9296 4.1086 4.1086 5.5445 5.5445 5.7940 5.7940 6.2740 6.2740 6.3645 6.3645 8.9171 8.9171 9.0357 9.0357 10.1472 10.1472 10.5024 10.5024 10.7441 10.7441 10.8028 10.8028 11.6864 11.6864 11.7573 11.7573 14.0394 14.0394 14.2428 14.2428 17.2036 17.2036 17.3018 17.3018 k = 0.1575 0.1575 0.2882 ( 1860 PWs) bands (ev): -8.1133 -8.1133 -8.0643 -8.0643 3.9343 3.9343 4.1146 4.1146 5.5060 5.5060 5.7561 5.7561 6.3196 6.3196 6.4102 6.4102 8.8748 8.8748 8.9812 8.9812 10.1703 10.1703 10.4748 10.4748 10.7640 10.7640 10.7977 10.7977 11.7061 11.7061 11.7753 11.7753 14.0537 14.0537 14.2421 14.2421 17.1504 17.1504 17.2523 17.2523 k = 0.1507 0.1507 0.2882 ( 1860 PWs) bands (ev): -8.1208 -8.1208 -8.0733 -8.0733 3.9404 3.9404 4.1220 4.1220 5.4665 5.4665 5.7168 5.7168 6.3658 6.3658 6.4562 6.4562 8.8328 8.8328 8.9278 8.9278 10.1913 10.1913 10.4456 10.4456 10.7851 10.7851 10.7932 10.7932 11.7262 11.7262 11.7936 11.7936 14.0695 14.0695 14.2431 14.2431 17.0964 17.0964 17.2018 17.2018 k = 0.1438 0.1438 0.2882 ( 1858 PWs) bands (ev): -8.1280 -8.1280 -8.0821 -8.0821 3.9481 3.9481 4.1308 4.1308 5.4261 5.4261 5.6762 5.6762 6.4122 6.4122 6.5023 6.5023 8.7914 8.7914 8.8757 8.8757 10.2095 10.2095 10.4156 10.4156 10.7899 10.7899 10.8066 10.8066 11.7465 11.7465 11.8121 11.8121 14.0867 14.0867 14.2456 14.2456 17.0420 17.0420 17.1504 17.1504 k = 0.1370 0.1370 0.2882 ( 1858 PWs) bands (ev): -8.1350 -8.1350 -8.0907 -8.0907 3.9572 3.9572 4.1411 4.1411 5.3850 5.3850 5.6346 5.6346 6.4587 6.4587 6.5482 6.5482 8.7509 8.7509 8.8251 8.8251 10.2244 10.2244 10.3850 10.3850 10.7883 10.7883 10.8282 10.8282 11.7670 11.7670 11.8304 11.8304 14.1053 14.1053 14.2498 14.2498 16.9874 16.9874 17.0985 17.0985 k = 0.1301 0.1301 0.2882 ( 1862 PWs) bands (ev): -8.1416 -8.1416 -8.0990 -8.0990 3.9678 3.9678 4.1527 4.1527 5.3435 5.3435 5.5922 5.5922 6.5052 6.5052 6.5938 6.5938 8.7114 8.7114 8.7762 8.7762 10.2352 10.2352 10.3541 10.3541 10.7888 10.7888 10.8494 10.8494 11.7874 11.7874 11.8486 11.8486 14.1251 14.1251 14.2555 14.2555 16.9327 16.9327 17.0462 17.0462 k = 0.1233 0.1233 0.2882 ( 1862 PWs) bands (ev): -8.1479 -8.1479 -8.1072 -8.1072 3.9799 3.9799 4.1656 4.1656 5.3016 5.3016 5.5490 5.5490 6.5516 6.5516 6.6388 6.6388 8.6731 8.6731 8.7292 8.7292 10.2416 10.2416 10.3231 10.3231 10.7918 10.7918 10.8701 10.8701 11.8077 11.8077 11.8666 11.8666 14.1461 14.1461 14.2628 14.2628 16.8784 16.8784 16.9936 16.9936 k = 0.1164 0.1164 0.2882 ( 1866 PWs) bands (ev): -8.1539 -8.1539 -8.1150 -8.1150 3.9933 3.9933 4.1799 4.1799 5.2595 5.2595 5.5054 5.5054 6.5975 6.5975 6.6830 6.6830 8.6361 8.6361 8.6841 8.6841 10.2434 10.2434 10.2923 10.2923 10.7976 10.7976 10.8901 10.8901 11.8277 11.8277 11.8840 11.8840 14.1682 14.1682 14.2715 14.2715 16.8247 16.8247 16.9410 16.9410 k = 0.1096 0.1096 0.2882 ( 1860 PWs) bands (ev): -8.1596 -8.1596 -8.1226 -8.1226 4.0082 4.0082 4.1953 4.1953 5.2174 5.2174 5.4614 5.4614 6.6430 6.6430 6.7264 6.7264 8.6005 8.6005 8.6410 8.6410 10.2407 10.2407 10.2619 10.2619 10.8062 10.8062 10.9091 10.9091 11.8473 11.8473 11.9010 11.9010 14.1911 14.1911 14.2817 14.2817 16.7718 16.7718 16.8887 16.8887 k = 0.1027 0.1027 0.2882 ( 1860 PWs) bands (ev): -8.1649 -8.1649 -8.1299 -8.1299 4.0244 4.0244 4.2119 4.2119 5.1755 5.1755 5.4172 5.4172 6.6876 6.6876 6.7686 6.7686 8.5665 8.5665 8.6002 8.6002 10.2320 10.2320 10.2338 10.2338 10.8172 10.8172 10.9271 10.9271 11.8663 11.8663 11.9173 11.9173 14.2147 14.2147 14.2931 14.2931 16.7200 16.7200 16.8367 16.8367 k = 0.0959 0.0959 0.2882 ( 1860 PWs) bands (ev): -8.1699 -8.1699 -8.1369 -8.1369 4.0420 4.0420 4.2294 4.2294 5.1340 5.1340 5.3728 5.3728 6.7314 6.7314 6.8094 6.8094 8.5341 8.5341 8.5616 8.5616 10.2029 10.2029 10.2231 10.2231 10.8304 10.8304 10.9439 10.9439 11.8848 11.8848 11.9329 11.9329 14.2388 14.2388 14.3056 14.3056 16.6698 16.6698 16.7855 16.7855 k = 0.0890 0.0890 0.2882 ( 1858 PWs) bands (ev): -8.1744 -8.1744 -8.1436 -8.1436 4.0608 4.0608 4.2479 4.2479 5.0931 5.0931 5.3285 5.3285 6.7740 6.7740 6.8487 6.8487 8.5034 8.5034 8.5253 8.5253 10.1749 10.1749 10.2093 10.2093 10.8453 10.8453 10.9594 10.9594 11.9025 11.9025 11.9476 11.9476 14.2632 14.2632 14.3192 14.3192 16.6212 16.6212 16.7351 16.7351 k = 0.0822 0.0822 0.2882 ( 1866 PWs) bands (ev): -8.1786 -8.1786 -8.1500 -8.1500 4.0808 4.0808 4.2671 4.2671 5.0530 5.0530 5.2843 5.2843 6.8153 6.8153 6.8862 6.8862 8.4745 8.4745 8.4915 8.4915 10.1481 10.1481 10.1929 10.1929 10.8613 10.8613 10.9736 10.9736 11.9193 11.9193 11.9614 11.9614 14.2876 14.2876 14.3335 14.3335 16.5748 16.5748 16.6859 16.6859 k = 0.0753 0.0753 0.2882 ( 1862 PWs) bands (ev): -8.1824 -8.1824 -8.1560 -8.1560 4.1020 4.1020 4.2867 4.2867 5.0140 5.0140 5.2405 5.2405 6.8550 6.8550 6.9217 6.9217 8.4475 8.4475 8.4601 8.4601 10.1228 10.1228 10.1748 10.1748 10.8780 10.8780 10.9863 10.9863 11.9353 11.9353 11.9743 11.9743 14.3116 14.3116 14.3485 14.3485 16.5309 16.5309 16.6383 16.6383 k = 0.0685 0.0685 0.2882 ( 1862 PWs) bands (ev): -8.1858 -8.1858 -8.1616 -8.1616 4.1243 4.1243 4.3065 4.3065 4.9766 4.9766 5.1971 5.1971 6.8928 6.8928 6.9549 6.9549 8.4224 8.4224 8.4312 8.4312 10.0992 10.0992 10.1554 10.1554 10.8950 10.8950 10.9976 10.9976 11.9503 11.9503 11.9860 11.9860 14.3351 14.3351 14.3637 14.3637 16.4897 16.4897 16.5923 16.5923 k = 0.0616 0.0616 0.2882 ( 1862 PWs) bands (ev): -8.1887 -8.1887 -8.1669 -8.1669 4.1476 4.1476 4.3260 4.3260 4.9411 4.9411 5.1544 5.1544 6.9285 6.9285 6.9856 6.9856 8.3993 8.3993 8.4049 8.4049 10.0776 10.0776 10.1353 10.1353 10.9118 10.9118 11.0073 11.0073 11.9642 11.9642 11.9966 11.9966 14.3576 14.3576 14.3791 14.3791 16.4517 16.4517 16.5485 16.5485 k = 0.0548 0.0548 0.2882 ( 1854 PWs) bands (ev): -8.1913 -8.1913 -8.1717 -8.1717 4.1717 4.1717 4.3448 4.3448 4.9082 4.9082 5.1125 5.1125 6.9618 6.9618 7.0136 7.0136 8.3782 8.3782 8.3813 8.3813 10.0582 10.0582 10.1152 10.1152 10.9283 10.9283 11.0154 11.0154 11.9771 11.9771 12.0061 12.0061 14.3789 14.3789 14.3943 14.3943 16.4173 16.4173 16.5072 16.5072 k = 0.0479 0.0479 0.2882 ( 1854 PWs) bands (ev): -8.1934 -8.1934 -8.1762 -8.1762 4.1965 4.1965 4.3620 4.3620 4.8786 4.8786 5.0716 5.0716 6.9925 6.9925 7.0386 7.0386 8.3592 8.3592 8.3604 8.3604 10.0413 10.0413 10.0955 10.0955 10.9440 10.9440 11.0219 11.0219 11.9888 11.9888 12.0143 12.0143 14.3986 14.3986 14.4089 14.4089 16.3867 16.3867 16.4686 16.4686 k = 0.0411 0.0411 0.2882 ( 1850 PWs) bands (ev): -8.1950 -8.1950 -8.1803 -8.1803 4.2218 4.2218 4.3769 4.3769 4.8533 4.8533 5.0320 5.0320 7.0203 7.0203 7.0603 7.0603 8.3422 8.3422 8.3425 8.3425 10.0269 10.0269 10.0767 10.0767 10.9589 10.9589 11.0268 11.0268 11.9992 11.9992 12.0212 12.0212 14.4163 14.4163 14.4226 14.4226 16.3604 16.3604 16.4331 16.4331 k = 0.0342 0.0342 0.2882 ( 1854 PWs) bands (ev): -8.1962 -8.1962 -8.1839 -8.1839 4.2474 4.2474 4.3881 4.3881 4.8334 4.8334 4.9939 4.9939 7.0448 7.0448 7.0786 7.0786 8.3269 8.3269 8.3280 8.3280 10.0154 10.0154 10.0591 10.0591 10.9726 10.9726 11.0300 11.0300 12.0084 12.0084 12.0269 12.0269 14.4318 14.4318 14.4352 14.4352 16.3387 16.3387 16.4012 16.4012 k = 0.0274 0.0274 0.2882 ( 1854 PWs) bands (ev): -8.1970 -8.1970 -8.1871 -8.1871 4.2729 4.2729 4.3947 4.3947 4.8201 4.8201 4.9577 4.9577 7.0660 7.0660 7.0933 7.0933 8.3144 8.3144 8.3159 8.3159 10.0067 10.0067 10.0432 10.0432 10.9852 10.9852 11.0315 11.0315 12.0164 12.0164 12.0312 12.0312 14.4447 14.4447 14.4461 14.4461 16.3218 16.3218 16.3731 16.3731 k = 0.0205 0.0205 0.2882 ( 1858 PWs) bands (ev): -8.1974 -8.1974 -8.1899 -8.1899 4.2980 4.2980 4.3956 4.3956 4.8143 4.8143 4.9239 4.9239 7.0834 7.0834 7.1041 7.1041 8.3047 8.3047 8.3063 8.3063 10.0011 10.0011 10.0293 10.0293 10.9964 10.9964 11.0314 11.0314 12.0230 12.0230 12.0341 12.0341 14.4549 14.4549 14.4552 14.4552 16.3100 16.3100 16.3493 16.3493 k = 0.0137 0.0137 0.2882 ( 1866 PWs) bands (ev): -8.1972 -8.1972 -8.1923 -8.1923 4.3220 4.3220 4.3905 4.3905 4.8166 4.8166 4.8930 4.8930 7.0971 7.0971 7.1109 7.1109 8.2980 8.2980 8.2992 8.2992 9.9985 9.9985 10.0177 10.0177 11.0061 11.0061 11.0296 11.0296 12.0283 12.0283 12.0357 12.0357 14.4620 14.4620 14.4622 14.4622 16.3034 16.3034 16.3300 16.3300 k = 0.0068 0.0068 0.2882 ( 1870 PWs) bands (ev): -8.1967 -8.1967 -8.1942 -8.1942 4.3443 4.3443 4.3796 4.3796 4.8265 4.8265 4.8659 4.8659 7.1067 7.1067 7.1136 7.1136 8.2940 8.2940 8.2947 8.2947 9.9989 9.9989 10.0087 10.0087 11.0144 11.0144 11.0261 11.0261 12.0322 12.0322 12.0359 12.0359 14.4663 14.4663 14.4665 14.4665 16.3022 16.3022 16.3156 16.3156 k = 0.0000 0.0000 0.2882 ( 1870 PWs) bands (ev): -8.1957 -8.1957 -8.1957 -8.1957 4.3638 4.3638 4.3638 4.3638 4.8433 4.8433 4.8433 4.8433 7.1122 7.1122 7.1122 7.1122 8.2930 8.2930 8.2930 8.2930 10.0023 10.0023 10.0023 10.0023 11.0210 11.0210 11.0210 11.0210 12.0347 12.0347 12.0347 12.0347 14.4678 14.4678 14.4678 14.4678 16.3063 16.3063 16.3063 16.3063 k = 0.0000 0.5000-0.0000 ( 1876 PWs) bands (ev): -8.2078 -8.2078 -7.6895 -7.6895 3.7291 3.7291 4.1298 4.1298 5.0104 5.0104 5.6832 5.6832 6.2744 6.2744 6.8213 6.8213 8.7895 8.7895 9.8843 9.8843 9.9865 9.9865 10.4831 10.4831 10.9963 10.9963 11.3411 11.3411 11.8483 11.8483 13.0685 13.0685 14.5153 14.5153 14.7953 14.7953 16.1830 16.1830 17.1545 17.1545 k = 0.0000 0.5000 0.0096 ( 1868 PWs) bands (ev): -8.2085 -8.2085 -7.6888 -7.6888 3.7284 3.7284 4.1295 4.1295 5.0091 5.0091 5.6837 5.6837 6.2757 6.2757 6.8243 6.8243 8.7890 8.7890 9.8836 9.8836 9.9857 9.9857 10.4833 10.4833 10.9963 10.9963 11.3406 11.3406 11.8452 11.8452 13.0679 13.0679 14.5138 14.5138 14.7981 14.7981 16.1826 16.1826 17.1585 17.1585 k = 0.0000 0.5000 0.0192 ( 1870 PWs) bands (ev): -8.2105 -8.2105 -7.6865 -7.6865 3.7264 3.7264 4.1287 4.1287 5.0053 5.0053 5.6851 5.6851 6.2799 6.2799 6.8329 6.8329 8.7877 8.7877 9.8812 9.8812 9.9835 9.9835 10.4840 10.4840 10.9961 10.9961 11.3391 11.3391 11.8362 11.8362 13.0662 13.0662 14.5094 14.5094 14.8062 14.8062 16.1817 16.1817 17.1705 17.1705 k = 0.0000 0.5000 0.0288 ( 1870 PWs) bands (ev): -8.2137 -8.2137 -7.6828 -7.6828 3.7230 3.7230 4.1273 4.1273 4.9991 4.9991 5.6876 5.6876 6.2867 6.2867 6.8472 6.8472 8.7856 8.7856 9.8773 9.8773 9.9797 9.9797 10.4851 10.4851 10.9957 10.9957 11.3367 11.3367 11.8213 11.8213 13.0632 13.0632 14.5025 14.5025 14.8194 14.8194 16.1801 16.1801 17.1902 17.1902 k = 0.0000 0.5000 0.0384 ( 1874 PWs) bands (ev): -8.2182 -8.2182 -7.6778 -7.6778 3.7184 3.7184 4.1254 4.1254 4.9906 4.9906 5.6910 5.6910 6.2961 6.2961 6.8669 6.8669 8.7826 8.7826 9.8718 9.8718 9.9746 9.9746 10.4866 10.4866 10.9950 10.9950 11.3333 11.3333 11.8010 11.8010 13.0592 13.0592 14.4936 14.4936 14.8369 14.8369 16.1779 16.1779 17.2174 17.2174 k = 0.0000 0.5000 0.0480 ( 1874 PWs) bands (ev): -8.2237 -8.2237 -7.6715 -7.6715 3.7125 3.7125 4.1230 4.1230 4.9801 4.9801 5.6954 5.6954 6.3081 6.3081 6.8918 6.8918 8.7788 8.7788 9.8648 9.8648 9.9682 9.9682 10.4883 10.4883 10.9940 10.9940 11.3291 11.3291 11.7757 11.7757 13.0540 13.0540 14.4832 14.4832 14.8584 14.8584 16.1752 16.1752 17.2517 17.2517 k = 0.0000 0.5000 0.0576 ( 1874 PWs) bands (ev): -8.2301 -8.2301 -7.6642 -7.6642 3.7056 3.7056 4.1201 4.1201 4.9676 4.9676 5.7008 5.7008 6.3224 6.3224 6.9216 6.9216 8.7741 8.7741 9.8562 9.8562 9.9606 9.9606 10.4901 10.4901 10.9923 10.9923 11.3241 11.3241 11.7461 11.7461 13.0477 13.0477 14.4718 14.4718 14.8830 14.8830 16.1721 16.1721 17.2927 17.2927 k = 0.0000 0.5000 0.0672 ( 1874 PWs) bands (ev): -8.2373 -8.2373 -7.6559 -7.6559 3.6976 3.6976 4.1169 4.1169 4.9536 4.9536 5.7072 5.7072 6.3389 6.3389 6.9560 6.9560 8.7686 8.7686 9.8462 9.8462 9.9520 9.9520 10.4920 10.4920 10.9898 10.9898 11.3184 11.3184 11.7128 11.7128 13.0404 13.0404 14.4597 14.4597 14.9105 14.9105 16.1686 16.1686 17.3397 17.3397 k = 0.0000 0.5000 0.0768 ( 1868 PWs) bands (ev): -8.2452 -8.2452 -7.6468 -7.6468 3.6887 3.6887 4.1132 4.1132 4.9382 4.9382 5.7146 5.7146 6.3575 6.3575 6.9945 6.9945 8.7623 8.7623 9.8346 9.8346 9.9426 9.9426 10.4938 10.4938 10.9862 10.9862 11.3121 11.3121 11.6766 11.6766 13.0322 13.0322 14.4473 14.4473 14.9401 14.9401 16.1647 16.1647 17.3924 17.3924 k = 0.0000 0.5000 0.0865 ( 1864 PWs) bands (ev): -8.2536 -8.2536 -7.6370 -7.6370 3.6790 3.6790 4.1091 4.1091 4.9217 4.9217 5.7228 5.7228 6.3779 6.3779 7.0368 7.0368 8.7552 8.7552 9.8215 9.8215 9.9324 9.9324 10.4955 10.4955 10.9811 10.9811 11.3054 11.3054 11.6385 11.6385 13.0232 13.0232 14.4348 14.4348 14.9715 14.9715 16.1605 16.1605 17.4502 17.4502 k = 0.0000 0.5000 0.0961 ( 1868 PWs) bands (ev): -8.2624 -8.2624 -7.6268 -7.6268 3.6687 3.6687 4.1048 4.1048 4.9043 4.9043 5.7320 5.7320 6.3998 6.3998 7.0825 7.0825 8.7473 8.7473 9.8071 9.8071 9.9216 9.9216 10.4968 10.4968 10.9740 10.9740 11.2983 11.2983 11.5994 11.5994 13.0135 13.0135 14.4224 14.4224 15.0043 15.0043 16.1561 16.1561 17.5125 17.5125 k = 0.0000 0.5000 0.1057 ( 1868 PWs) bands (ev): -8.2715 -8.2715 -7.6163 -7.6163 3.6578 3.6578 4.1002 4.1002 4.8864 4.8864 5.7419 5.7419 6.4231 6.4231 7.1313 7.1313 8.7387 8.7387 9.7912 9.7912 9.9104 9.9104 10.4977 10.4977 10.9645 10.9645 11.2910 11.2910 11.5604 11.5604 13.0033 13.0033 14.4104 14.4104 15.0380 15.0380 16.1514 16.1514 17.5789 17.5789 k = 0.0000 0.5000 0.1153 ( 1866 PWs) bands (ev): -8.2806 -8.2806 -7.6055 -7.6055 3.6465 3.6465 4.0955 4.0955 4.8681 4.8681 5.7525 5.7525 6.4476 6.4476 7.1827 7.1827 8.7293 8.7293 9.7741 9.7741 9.8989 9.8989 10.4981 10.4981 10.9520 10.9520 11.2834 11.2834 11.5227 11.5227 12.9926 12.9926 14.3989 14.3989 15.0722 15.0722 16.1465 16.1465 17.6488 17.6488 k = 0.0000 0.5000 0.1249 ( 1858 PWs) bands (ev): -8.2898 -8.2898 -7.5946 -7.5946 3.6349 3.6349 4.0906 4.0906 4.8497 4.8497 5.7636 5.7636 6.4729 6.4729 7.2363 7.2363 8.7193 8.7193 9.7558 9.7558 9.8871 9.8871 10.4979 10.4979 10.9360 10.9360 11.2759 11.2759 11.4873 11.4873 12.9817 12.9817 14.3880 14.3880 15.1067 15.1067 16.1414 16.1414 17.7218 17.7218 k = 0.0000 0.5000 0.1345 ( 1858 PWs) bands (ev): -8.2990 -8.2990 -7.5838 -7.5838 3.6232 3.6232 4.0856 4.0856 4.8315 4.8315 5.7753 5.7753 6.4989 6.4989 7.2919 7.2919 8.7087 8.7087 9.7364 9.7364 9.8753 9.8753 10.4970 10.4970 10.9162 10.9162 11.2683 11.2683 11.4552 11.4552 12.9707 12.9707 14.3778 14.3778 15.1409 15.1409 16.1362 16.1362 17.7974 17.7974 k = 0.0000 0.5000 0.1441 ( 1868 PWs) bands (ev): -8.3079 -8.3079 -7.5732 -7.5732 3.6115 3.6115 4.0807 4.0807 4.8135 4.8135 5.7872 5.7872 6.5252 6.5252 7.3489 7.3489 8.6975 8.6975 9.7161 9.7161 9.8635 9.8635 10.4953 10.4953 10.8924 10.8924 11.2607 11.2607 11.4271 11.4271 12.9598 12.9598 14.3682 14.3682 15.1745 15.1745 16.1308 16.1308 17.8753 17.8753 k = 0.0000 0.5000 0.1537 ( 1860 PWs) bands (ev): -8.3166 -8.3166 -7.5627 -7.5627 3.5999 3.5999 4.0757 4.0757 4.7960 4.7960 5.7993 5.7993 6.5517 6.5517 7.4070 7.4070 8.6857 8.6857 9.6950 9.6950 9.8517 9.8517 10.4926 10.4926 10.8649 10.8649 11.2534 11.2534 11.4035 11.4035 12.9490 12.9490 14.3595 14.3595 15.2074 15.2074 16.1254 16.1254 17.9549 17.9549 k = 0.0000 0.5000 0.1633 ( 1864 PWs) bands (ev): -8.3250 -8.3250 -7.5527 -7.5527 3.5885 3.5885 4.0709 4.0709 4.7791 4.7791 5.8115 5.8115 6.5779 6.5779 7.4658 7.4658 8.6734 8.6734 9.6733 9.6733 9.8402 9.8402 10.4888 10.4888 10.8344 10.8344 11.2462 11.2462 11.3843 11.3843 12.9385 12.9385 14.3515 14.3515 15.2392 15.2392 16.1200 16.1200 18.0359 18.0359 k = 0.0000 0.5000 0.1729 ( 1864 PWs) bands (ev): -8.3330 -8.3330 -7.5430 -7.5430 3.5775 3.5775 4.0662 4.0662 4.7630 4.7630 5.8235 5.8235 6.6037 6.6037 7.5247 7.5247 8.6608 8.6608 9.6511 9.6511 9.8289 9.8289 10.4836 10.4836 10.8021 10.8021 11.2394 11.2394 11.3692 11.3692 12.9284 12.9284 14.3443 14.3443 15.2696 15.2696 16.1146 16.1146 18.1179 18.1179 k = 0.0000 0.5000 0.1825 ( 1866 PWs) bands (ev): -8.3406 -8.3406 -7.5339 -7.5339 3.5670 3.5670 4.0617 4.0617 4.7477 4.7477 5.8353 5.8353 6.6288 6.6288 7.5835 7.5835 8.6478 8.6478 9.6288 9.6288 9.8179 9.8179 10.4767 10.4767 10.7691 10.7691 11.2330 11.2330 11.3577 11.3577 12.9189 12.9189 14.3378 14.3378 15.2984 15.2984 16.1094 16.1094 18.2004 18.2004 k = 0.0000 0.5000 0.1921 ( 1870 PWs) bands (ev): -8.3476 -8.3476 -7.5253 -7.5253 3.5570 3.5570 4.0574 4.0574 4.7335 4.7335 5.8467 5.8467 6.6529 6.6529 7.6414 7.6414 8.6345 8.6345 9.6065 9.6065 9.8074 9.8074 10.4679 10.4679 10.7369 10.7369 11.2270 11.2270 11.3493 11.3493 12.9100 12.9100 14.3320 14.3320 15.3254 15.3254 16.1043 16.1043 18.2832 18.2832 k = 0.0000 0.5000 0.2017 ( 1870 PWs) bands (ev): -8.3541 -8.3541 -7.5174 -7.5174 3.5477 3.5477 4.0535 4.0535 4.7204 4.7204 5.8575 5.8575 6.6757 6.6757 7.6980 7.6980 8.6210 8.6210 9.5846 9.5846 9.7974 9.7974 10.4569 10.4569 10.7070 10.7070 11.2216 11.2216 11.3432 11.3432 12.9018 12.9018 14.3270 14.3270 15.3504 15.3504 16.0994 16.0994 18.3656 18.3656 k = 0.0000 0.5000 0.2113 ( 1866 PWs) bands (ev): -8.3600 -8.3600 -7.5101 -7.5101 3.5391 3.5391 4.0498 4.0498 4.7084 4.7084 5.8677 5.8677 6.6969 6.6969 7.7526 7.7526 8.6074 8.6074 9.5634 9.5634 9.7880 9.7880 10.4437 10.4437 10.6806 10.6806 11.2168 11.2168 11.3390 11.3390 12.8943 12.8943 14.3226 14.3226 15.3733 15.3733 16.0949 16.0949 18.4472 18.4472 k = 0.0000 0.5000 0.2209 ( 1866 PWs) bands (ev): -8.3654 -8.3654 -7.5036 -7.5036 3.5314 3.5314 4.0465 4.0465 4.6977 4.6977 5.8770 5.8770 6.7164 6.7164 7.8045 7.8045 8.5939 8.5939 9.5432 9.5432 9.7794 9.7794 10.4285 10.4285 10.6583 10.6583 11.2125 11.2125 11.3361 11.3361 12.8876 12.8876 14.3188 14.3188 15.3937 15.3937 16.0907 16.0907 18.5271 18.5271 k = 0.0000 0.5000 0.2305 ( 1866 PWs) bands (ev): -8.3700 -8.3700 -7.4978 -7.4978 3.5245 3.5245 4.0435 4.0435 4.6883 4.6883 5.8853 5.8853 6.7339 6.7339 7.8529 7.8529 8.5806 8.5806 9.5243 9.5243 9.7715 9.7715 10.4122 10.4122 10.6403 10.6403 11.2088 11.2088 11.3343 11.3343 12.8818 12.8818 14.3156 14.3156 15.4118 15.4118 16.0869 16.0869 18.6045 18.6045 k = 0.0000 0.5000 0.2401 ( 1862 PWs) bands (ev): -8.3740 -8.3740 -7.4929 -7.4929 3.5186 3.5186 4.0410 4.0410 4.6803 4.6803 5.8925 5.8925 6.7490 6.7490 7.8969 7.8969 8.5679 8.5679 9.5074 9.5074 9.7645 9.7645 10.3956 10.3956 10.6264 10.6264 11.2057 11.2057 11.3332 11.3332 12.8768 12.8768 14.3130 14.3130 15.4272 15.4272 16.0837 16.0837 18.6708 18.6710 k = 0.0000 0.5000 0.2498 ( 1870 PWs) bands (ev): -8.3773 -8.3773 -7.4889 -7.4889 3.5137 3.5137 4.0389 4.0389 4.6737 4.6737 5.8986 5.8986 6.7617 6.7617 7.9352 7.9352 8.5562 8.5562 9.4927 9.4927 9.7586 9.7586 10.3802 10.3802 10.6160 10.6160 11.2032 11.2032 11.3326 11.3326 12.8727 12.8727 14.3109 14.3109 15.4400 15.4400 16.0809 16.0809 18.6779 18.6779 k = 0.0000 0.5000 0.2594 ( 1874 PWs) bands (ev): -8.3799 -8.3799 -7.4857 -7.4857 3.5098 3.5098 4.0373 4.0373 4.6685 4.6685 5.9034 5.9034 6.7718 6.7718 7.9670 7.9670 8.5460 8.5460 9.4807 9.4807 9.7539 9.7539 10.3669 10.3669 10.6086 10.6086 11.2013 11.2013 11.3323 11.3323 12.8695 12.8695 14.3093 14.3093 15.4500 15.4500 16.0787 16.0787 18.6828 18.6828 k = 0.0000 0.5000 0.2690 ( 1870 PWs) bands (ev): -8.3817 -8.3817 -7.4834 -7.4834 3.5071 3.5071 4.0361 4.0361 4.6647 4.6647 5.9069 5.9069 6.7791 6.7791 7.9908 7.9908 8.5381 8.5381 9.4718 9.4718 9.7504 9.7504 10.3568 10.3568 10.6037 10.6037 11.1999 11.1999 11.3321 11.3321 12.8672 12.8672 14.3082 14.3082 15.4572 15.4572 16.0771 16.0771 18.6863 18.6863 k = 0.0000 0.5000 0.2786 ( 1862 PWs) bands (ev): -8.3828 -8.3828 -7.4820 -7.4820 3.5054 3.5054 4.0354 4.0354 4.6625 4.6625 5.9091 5.9091 6.7835 6.7835 8.0057 8.0057 8.5329 8.5329 9.4663 9.4663 9.7483 9.7483 10.3505 10.3505 10.6008 10.6008 11.1990 11.1990 11.3321 11.3321 12.8659 12.8659 14.3075 14.3075 15.4616 15.4616 16.0761 16.0761 18.6885 18.6885 k = 0.0000 0.5000 0.2882 ( 1872 PWs) bands (ev): -8.3832 -8.3832 -7.4815 -7.4815 3.5048 3.5048 4.0351 4.0351 4.6618 4.6618 5.9098 5.9098 6.7850 6.7850 8.0107 8.0107 8.5312 8.5312 9.4644 9.4644 9.7476 9.7476 10.3483 10.3483 10.5999 10.5999 11.1988 11.1988 11.3321 11.3321 12.8654 12.8654 14.3072 14.3072 15.4630 15.4630 16.0758 16.0758 18.6892 18.6892 k = 0.5000 0.5000-0.0000 ( 1840 PWs) bands (ev): -7.9713 -7.9713 -7.5381 -7.5381 3.9258 3.9258 3.9952 3.9952 4.8600 4.8600 5.7750 5.7750 7.0115 7.0115 7.0203 7.0203 8.2643 8.2643 9.5593 9.5593 9.8697 9.8697 10.5598 10.5598 10.9598 10.9598 10.9762 10.9762 13.0704 13.0704 13.3697 13.3697 13.6672 13.6672 14.7238 14.7238 15.6210 15.6210 19.9845 19.9845 k = 0.5000 0.5000 0.0096 ( 1840 PWs) bands (ev): -7.9710 -7.9710 -7.5384 -7.5384 3.9271 3.9271 3.9965 3.9965 4.8606 4.8606 5.7742 5.7742 7.0067 7.0067 7.0163 7.0163 8.2659 8.2659 9.5627 9.5627 9.8726 9.8726 10.5585 10.5585 10.9601 10.9601 10.9752 10.9752 13.0715 13.0715 13.3688 13.3688 13.6666 13.6666 14.7289 14.7289 15.6184 15.6184 19.9807 19.9807 k = 0.5000 0.5000 0.0192 ( 1840 PWs) bands (ev): -7.9702 -7.9702 -7.5394 -7.5394 3.9310 3.9310 4.0003 4.0003 4.8625 4.8625 5.7720 5.7720 6.9925 6.9925 7.0044 7.0044 8.2709 8.2709 9.5730 9.5730 9.8811 9.8811 10.5546 10.5546 10.9609 10.9609 10.9723 10.9723 13.0747 13.0747 13.3661 13.3661 13.6645 13.6645 14.7443 14.7443 15.6103 15.6103 19.9693 19.9693 k = 0.5000 0.5000 0.0288 ( 1840 PWs) bands (ev): -7.9688 -7.9688 -7.5409 -7.5409 3.9374 3.9374 4.0067 4.0067 4.8657 4.8657 5.7682 5.7682 6.9692 6.9692 6.9849 6.9849 8.2790 8.2790 9.5897 9.5897 9.8950 9.8950 10.5478 10.5478 10.9622 10.9622 10.9678 10.9678 13.0800 13.0800 13.3619 13.3619 13.6612 13.6612 14.7697 14.7697 15.5970 15.5970 19.9505 19.9505 k = 0.5000 0.5000 0.0384 ( 1844 PWs) bands (ev): -7.9668 -7.9668 -7.5431 -7.5431 3.9465 3.9465 4.0157 4.0157 4.8701 4.8701 5.7630 5.7630 6.9375 6.9375 6.9581 6.9581 8.2900 8.2900 9.6126 9.6126 9.9139 9.9139 10.5378 10.5378 10.9625 10.9625 10.9642 10.9642 13.0874 13.0874 13.3562 13.3562 13.6565 13.6565 14.8046 14.8046 15.5785 15.5785 19.9241 19.9241 k = 0.5000 0.5000 0.0480 ( 1836 PWs) bands (ev): -7.9643 -7.9643 -7.5459 -7.5459 3.9581 3.9581 4.0272 4.0272 4.8758 4.8758 5.7562 5.7562 6.8980 6.8980 6.9244 6.9244 8.3037 8.3037 9.6411 9.6411 9.9372 9.9372 10.5241 10.5241 10.9570 10.9570 10.9667 10.9667 13.0969 13.0969 13.3494 13.3494 13.6505 13.6505 14.8486 14.8486 15.5550 15.5550 19.8905 19.8905 k = 0.5000 0.5000 0.0576 ( 1828 PWs) bands (ev): -7.9612 -7.9612 -7.5492 -7.5492 3.9723 3.9723 4.0412 4.0412 4.8827 4.8827 5.7480 5.7480 6.8515 6.8515 6.8844 6.8844 8.3199 8.3199 9.6745 9.6745 9.9643 9.9643 10.5063 10.5063 10.9521 10.9521 10.9699 10.9699 13.1086 13.1086 13.3416 13.3416 13.6432 13.6432 14.9011 14.9011 15.5267 15.5267 19.8497 19.8497 k = 0.5000 0.5000 0.0672 ( 1832 PWs) bands (ev): -7.9576 -7.9576 -7.5532 -7.5532 3.9891 3.9891 4.0577 4.0577 4.8909 4.8909 5.7384 5.7384 6.7989 6.7989 6.8387 6.8387 8.3383 8.3383 9.7122 9.7122 9.9945 9.9945 10.4840 10.4840 10.9488 10.9488 10.9737 10.9737 13.1224 13.1224 13.3333 13.3333 13.6346 13.6346 14.9615 14.9615 15.4937 15.4937 19.8019 19.8019 k = 0.5000 0.5000 0.0768 ( 1832 PWs) bands (ev): -7.9534 -7.9534 -7.5577 -7.5577 4.0084 4.0084 4.0767 4.0767 4.9002 4.9002 5.7273 5.7273 6.7411 6.7411 6.7878 6.7878 8.3588 8.3588 9.7533 9.7533 10.0270 10.0270 10.4569 10.4569 10.9476 10.9476 10.9783 10.9783 13.1382 13.1382 13.3247 13.3247 13.6248 13.6248 15.0292 15.0292 15.4564 15.4564 19.7474 19.7474 k = 0.5000 0.5000 0.0865 ( 1820 PWs) bands (ev): -7.9487 -7.9487 -7.5628 -7.5628 4.0302 4.0302 4.0982 4.0982 4.9107 4.9107 5.7148 5.7148 6.6786 6.6786 6.7325 6.7325 8.3812 8.3812 9.7973 9.7973 10.0610 10.0610 10.4250 10.4250 10.9492 10.9492 10.9836 10.9836 13.1557 13.1557 13.3163 13.3163 13.6137 13.6137 15.1036 15.1036 15.4149 15.4149 19.6864 19.6864 k = 0.5000 0.5000 0.0961 ( 1836 PWs) bands (ev): -7.9436 -7.9436 -7.5685 -7.5685 4.0544 4.0544 4.1221 4.1221 4.9223 4.9223 5.7009 5.7009 6.6124 6.6124 6.6731 6.6731 8.4055 8.4055 9.8433 9.8433 10.0957 10.0957 10.3884 10.3884 10.9539 10.9539 10.9898 10.9898 13.1744 13.1744 13.3089 13.3089 13.6013 13.6013 15.1840 15.1840 15.3697 15.3697 19.6192 19.6192 k = 0.5000 0.5000 0.1057 ( 1836 PWs) bands (ev): -7.9379 -7.9379 -7.5747 -7.5747 4.0812 4.0812 4.1485 4.1485 4.9350 4.9350 5.6857 5.6857 6.5430 6.5430 6.6105 6.6105 8.4316 8.4316 9.8905 9.8905 10.1302 10.1302 10.3478 10.3478 10.9618 10.9618 10.9969 10.9969 13.1932 13.1932 13.3037 13.3037 13.5878 13.5878 15.2700 15.2700 15.3210 15.3210 19.5460 19.5460 k = 0.5000 0.5000 0.1153 ( 1844 PWs) bands (ev): -7.9318 -7.9318 -7.5814 -7.5814 4.1104 4.1104 4.1772 4.1772 4.9488 4.9488 5.6690 5.6690 6.4710 6.4710 6.5451 6.5451 8.4594 8.4594 9.9384 9.9384 10.1633 10.1633 10.3040 10.3040 10.9728 10.9728 11.0050 11.0050 13.2097 13.2097 13.3032 13.3032 13.5732 13.5732 15.2690 15.2690 15.3610 15.3610 19.4673 19.4673 k = 0.5000 0.5000 0.1249 ( 1844 PWs) bands (ev): -7.9251 -7.9251 -7.5886 -7.5886 4.1420 4.1420 4.2082 4.2082 4.9636 4.9636 5.6510 5.6510 6.3969 6.3969 6.4775 6.4775 8.4889 8.4889 9.9863 9.9863 10.1911 10.1911 10.2609 10.2609 10.9869 10.9869 11.0142 11.0142 13.2204 13.2204 13.3112 13.3112 13.5575 13.5575 15.2143 15.2143 15.4566 15.4566 19.3833 19.3833 k = 0.5000 0.5000 0.1345 ( 1852 PWs) bands (ev): -7.9181 -7.9181 -7.5962 -7.5962 4.1760 4.1760 4.2416 4.2416 4.9794 4.9794 5.6316 5.6316 6.3213 6.3213 6.4082 6.4082 8.5202 8.5202 10.0334 10.0334 10.1854 10.1854 10.2466 10.2466 11.0037 11.0037 11.0245 11.0245 13.2235 13.2235 13.3295 13.3295 13.5408 13.5408 15.1568 15.1568 15.5564 15.5564 19.2944 19.2944 k = 0.5000 0.5000 0.1441 ( 1852 PWs) bands (ev): -7.9105 -7.9105 -7.6043 -7.6043 4.2124 4.2124 4.2772 4.2772 4.9961 4.9961 5.6109 5.6109 6.2446 6.2446 6.3377 6.3377 8.5531 8.5531 10.0794 10.0794 10.1387 10.1387 10.2689 10.2689 11.0228 11.0228 11.0359 11.0359 13.2210 13.2210 13.3562 13.3562 13.5231 13.5231 15.0972 15.0972 15.6598 15.6598 19.2009 19.2009 k = 0.5000 0.5000 0.1537 ( 1852 PWs) bands (ev): -7.9026 -7.9026 -7.6128 -7.6128 4.2510 4.2510 4.3149 4.3149 5.0137 5.0137 5.5888 5.5888 6.1672 6.1672 6.2663 6.2663 8.5878 8.5878 10.0839 10.0839 10.1237 10.1237 10.2949 10.2949 11.0439 11.0439 11.0486 11.0486 13.2158 13.2158 13.3886 13.3886 13.5045 13.5045 15.0356 15.0356 15.7667 15.7667 19.1032 19.1032 k = 0.5000 0.5000 0.1633 ( 1852 PWs) bands (ev): -7.8942 -7.8942 -7.6217 -7.6217 4.2918 4.2918 4.3548 4.3548 5.0321 5.0321 5.5653 5.5653 6.0894 6.0894 6.1947 6.1947 8.6242 8.6242 10.0263 10.0263 10.1658 10.1658 10.3196 10.3196 11.0625 11.0625 11.0664 11.0664 13.2096 13.2096 13.4250 13.4250 13.4852 13.4852 14.9723 14.9723 15.8766 15.8766 19.0015 19.0015 k = 0.5000 0.5000 0.1729 ( 1860 PWs) bands (ev): -7.8855 -7.8855 -7.6310 -7.6310 4.3348 4.3348 4.3966 4.3966 5.0512 5.0512 5.5403 5.5403 6.0118 6.0118 6.1232 6.1232 8.6622 8.6622 9.9670 9.9670 10.2054 10.2054 10.3422 10.3422 11.0775 11.0775 11.0898 11.0898 13.2033 13.2033 13.4646 13.4646 13.4652 13.4652 14.9077 14.9077 15.9892 15.9892 18.8963 18.8963 k = 0.5000 0.5000 0.1825 ( 1852 PWs) bands (ev): -7.8764 -7.8764 -7.6406 -7.6406 4.3799 4.3799 4.4404 4.4404 5.0708 5.0708 5.5138 5.5138 5.9346 5.9346 6.0524 6.0524 8.7019 8.7019 9.9065 9.9065 10.2421 10.2421 10.3626 10.3626 11.0935 11.0935 11.1135 11.1135 13.1976 13.1976 13.4447 13.4447 13.5069 13.5069 14.8419 14.8419 16.1042 16.1042 18.7879 18.7879 k = 0.5000 0.5000 0.1921 ( 1852 PWs) bands (ev): -7.8670 -7.8670 -7.6505 -7.6505 4.4270 4.4270 4.4860 4.4860 5.0908 5.0908 5.4855 5.4855 5.8583 5.8583 5.9827 5.9827 8.7433 8.7433 9.8452 9.8452 10.2758 10.2758 10.3806 10.3806 11.1104 11.1104 11.1369 11.1369 13.1927 13.1927 13.4238 13.4238 13.5518 13.5518 14.7753 14.7753 16.2214 16.2214 18.6765 18.6765 k = 0.5000 0.5000 0.2017 ( 1860 PWs) bands (ev): -7.8572 -7.8572 -7.6607 -7.6607 4.4760 4.4760 4.5331 4.5331 5.1108 5.1108 5.4553 5.4553 5.7836 5.7836 5.9147 5.9147 8.7863 8.7863 9.7835 9.7835 10.3063 10.3063 10.3963 10.3963 11.1279 11.1279 11.1594 11.1594 13.1890 13.1890 13.4027 13.4027 13.5990 13.5990 14.7080 14.7080 16.3405 16.3405 18.5625 18.5625 k = 0.5000 0.5000 0.2113 ( 1860 PWs) bands (ev): -7.8472 -7.8472 -7.6712 -7.6712 4.5266 4.5266 4.5818 4.5818 5.1305 5.1305 5.4232 5.4232 5.7110 5.7110 5.8489 5.8489 8.8309 8.8309 9.7216 9.7216 10.3335 10.3335 10.4098 10.4098 11.1457 11.1457 11.1804 11.1804 13.1866 13.1866 13.3815 13.3815 13.6484 13.6484 14.6403 14.6403 16.4613 16.4613 18.4461 18.4461 k = 0.5000 0.5000 0.2209 ( 1848 PWs) bands (ev): -7.8370 -7.8370 -7.6818 -7.6818 4.5788 4.5788 4.6316 4.6316 5.1492 5.1492 5.3888 5.3888 5.6417 5.6417 5.7860 5.7860 8.8771 8.8771 9.6597 9.6597 10.3574 10.3574 10.4212 10.4212 11.1635 11.1635 11.1995 11.1995 13.1859 13.1859 13.3604 13.3604 13.6999 13.6999 14.5725 14.5725 16.5835 16.5835 18.3277 18.3277 k = 0.5000 0.5000 0.2305 ( 1848 PWs) bands (ev): -7.8264 -7.8264 -7.6927 -7.6927 4.6322 4.6322 4.6821 4.6821 5.1655 5.1655 5.3520 5.3520 5.5772 5.5772 5.7265 5.7265 8.9249 8.9249 9.5980 9.5980 10.3783 10.3783 10.4305 10.4305 11.1809 11.1809 11.2162 11.2162 13.1869 13.1869 13.3396 13.3396 13.7533 13.7533 14.5047 14.5047 16.7070 16.7070 18.2074 18.2074 k = 0.5000 0.5000 0.2401 ( 1848 PWs) bands (ev): -7.8157 -7.8157 -7.7037 -7.7037 4.6863 4.6863 4.7329 4.7329 5.1773 5.1773 5.3130 5.3130 5.5205 5.5205 5.6710 5.6710 8.9741 8.9741 9.5367 9.5367 10.3960 10.3960 10.4378 10.4378 11.1973 11.1973 11.2302 11.2302 13.1897 13.1897 13.3194 13.3194 13.8085 13.8085 14.4372 14.4372 16.8314 16.8314 18.0856 18.0856 k = 0.5000 0.5000 0.2498 ( 1840 PWs) bands (ev): -7.8048 -7.8048 -7.7149 -7.7149 4.7405 4.7405 4.7829 4.7829 5.1813 5.1813 5.2720 5.2720 5.4758 5.4758 5.6201 5.6201 9.0249 9.0249 9.4760 9.4760 10.4109 10.4109 10.4431 10.4431 11.2124 11.2124 11.2410 11.2410 13.1946 13.1946 13.2999 13.2999 13.8655 13.8655 14.3700 14.3700 16.9566 16.9566 17.9625 17.9625 k = 0.5000 0.5000 0.2594 ( 1832 PWs) bands (ev): -7.7938 -7.7938 -7.7261 -7.7261 4.7934 4.7934 4.8305 4.8305 5.1739 5.1739 5.2302 5.2302 5.4483 5.4483 5.5740 5.5740 9.0771 9.0771 9.4160 9.4160 10.4230 10.4230 10.4464 10.4464 11.2258 11.2258 11.2486 11.2486 13.2014 13.2014 13.2813 13.2813 13.9241 13.9241 14.3034 14.3034 17.0824 17.0824 17.8383 17.8383 k = 0.5000 0.5000 0.2690 ( 1832 PWs) bands (ev): -7.7826 -7.7826 -7.7374 -7.7374 4.8427 4.8427 4.8723 4.8723 5.1563 5.1563 5.1898 5.1898 5.4402 5.4402 5.5332 5.5332 9.1306 9.1306 9.3569 9.3569 10.4326 10.4326 10.4478 10.4478 11.2369 11.2369 11.2528 11.2528 13.2102 13.2102 13.2640 13.2640 13.9843 13.9843 14.2375 14.2375 17.2086 17.2086 17.7132 17.7132 k = 0.5000 0.5000 0.2786 ( 1832 PWs) bands (ev): -7.7714 -7.7714 -7.7487 -7.7487 4.8833 4.8833 4.9010 4.9010 5.1384 5.1384 5.1554 5.1554 5.4488 5.4488 5.4979 5.4979 9.1854 9.1854 9.2986 9.2986 10.4397 10.4397 10.4472 10.4472 11.2455 11.2455 11.2536 11.2536 13.2210 13.2210 13.2480 13.2480 14.0458 14.0458 14.1726 14.1726 17.3350 17.3350 17.5875 17.5875 k = 0.5000 0.5000 0.2882 ( 1832 PWs) bands (ev): -7.7600 -7.7600 -7.7600 -7.7600 4.9059 4.9059 4.9059 4.9059 5.1358 5.1358 5.1358 5.1358 5.4692 5.4692 5.4692 5.4692 9.2415 9.2415 9.2415 9.2415 10.4445 10.4445 10.4445 10.4445 11.2511 11.2511 11.2511 11.2511 13.2337 13.2337 13.2337 13.2337 14.1086 14.1086 14.1086 14.1086 17.4613 17.4613 17.4613 17.4613 Writing output data file PtO.save init_run : 0.16s CPU 0.30s WALL ( 1 calls) electrons : 123.37s CPU 125.95s 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 : 123.36s CPU 125.94s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 453 calls) cegterg : 115.12s CPU 117.22s WALL ( 686 calls) Called by sum_band: Called by *egterg: h_psi : 56.40s CPU 58.20s WALL ( 10962 calls) s_psi : 4.76s CPU 5.04s WALL ( 10962 calls) g_psi : 0.16s CPU 0.15s WALL ( 9823 calls) cdiaghg : 50.04s CPU 50.40s WALL ( 10276 calls) cegterg:over : 3.95s CPU 3.87s WALL ( 9823 calls) cegterg:upda : 2.56s CPU 2.55s WALL ( 9823 calls) cegterg:last : 1.66s CPU 1.76s WALL ( 2045 calls) cdiaghg:chol : 2.65s CPU 2.55s WALL ( 10276 calls) cdiaghg:inve : 1.54s CPU 1.52s WALL ( 10276 calls) cdiaghg:para : 2.80s CPU 2.84s WALL ( 20552 calls) Called by h_psi: h_psi:vloc : 49.28s CPU 50.75s WALL ( 10962 calls) h_psi:vnl : 7.03s CPU 7.37s WALL ( 10962 calls) add_vuspsi : 3.68s CPU 3.86s WALL ( 10962 calls) General routines calbec : 3.32s CPU 3.48s WALL ( 10962 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 46.46s CPU 47.75s WALL ( 1033028 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.13s CPU 0.15s WALL ( 906 calls) Parallel routines fft_scatter : 20.56s CPU 21.33s WALL ( 1033051 calls) PWSCF : 2m15.37s CPU 2m31.51s WALL This run was terminated on: 21: 5:14 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=