Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:15:34 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: ./ZrVSi.save/ file V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3P 3P 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 69 21 6 5107 869 142 Max 70 22 8 5116 898 149 Sum 2509 777 241 184019 31789 5209 bravais-lattice index = 14 lattice parameter (alat) = 6.9825 a.u. unit-cell volume = 664.4788 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 646.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.982538 celldm(2)= 1.000000 celldm(3)= 1.951827 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 1.951827 ) 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 0.512341 ) PseudoPot. # 1 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for V read from file: /users/gautes/Pseudo/V.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 97c593a54d8a0043da5648c660d67431 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1181 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 Zr 4.00 91.22400 Zr( 1.00) Si 4.00 28.08550 Si( 1.00) V 13.00 50.94150 V( 1.00) 16 Sym. Ops., with inversion, found (12 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) 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 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) 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= 369 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0027100 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0027100 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0027100 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0027100 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0027100 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0027100 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0027100 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0027100 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0027100 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0027100 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0027100 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0027100 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0027100 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0027100 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0027100 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0027100 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0027100 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0027100 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0027100 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0027100 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0027100 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0027100 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0027100 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0027100 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0027100 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0027100 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0027100 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0027100 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0027100 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0027100 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0027100 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0027100 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0027100 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0027100 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0027100 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0027100 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0027100 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0027100 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0027100 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0027100 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0027100 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0027100 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0027100 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0027100 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0027100 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0027100 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0027100 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0027100 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0027100 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0027100 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0027100 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0027100 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0027100 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0027100 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0027100 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0027100 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0027100 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0027100 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0027100 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0027100 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0027100 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0027100 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0027100 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0027100 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0027100 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0027100 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0027100 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0027100 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0027100 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0027100 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0027100 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0027100 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0027100 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0027100 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0027100 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0027100 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0027100 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0027100 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0027100 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0027100 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0027100 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0027100 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0027100 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0027100 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0027100 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0027100 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0027100 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0027100 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0027100 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0027100 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0027100 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0027100 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0027100 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0027100 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0027100 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0027100 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0027100 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0027100 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0027100 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0027100 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0027100 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0027100 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 152) = ( 0.0000000 0.0000000 0.0116441), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0232882), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0349323), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0465764), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.0582205), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.0698646), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.0815087), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.0931528), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.1047969), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.1164410), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.1280851), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.1397292), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.1513733), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.1630174), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.1746615), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.1863057), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.1979498), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.2095939), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.2212380), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.2328821), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.2445262), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.2561703), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.2561703), wk = 0.0027100 k( 175) = ( 0.0000000 0.0116279 0.2561703), wk = 0.0027100 k( 176) = ( 0.0000000 0.0232558 0.2561703), wk = 0.0027100 k( 177) = ( 0.0000000 0.0348837 0.2561703), wk = 0.0027100 k( 178) = ( 0.0000000 0.0465116 0.2561703), wk = 0.0027100 k( 179) = ( 0.0000000 0.0581395 0.2561703), wk = 0.0027100 k( 180) = ( 0.0000000 0.0697674 0.2561703), wk = 0.0027100 k( 181) = ( 0.0000000 0.0813954 0.2561703), wk = 0.0027100 k( 182) = ( 0.0000000 0.0930233 0.2561703), wk = 0.0027100 k( 183) = ( 0.0000000 0.1046512 0.2561703), wk = 0.0027100 k( 184) = ( 0.0000000 0.1162791 0.2561703), wk = 0.0027100 k( 185) = ( 0.0000000 0.1279070 0.2561703), wk = 0.0027100 k( 186) = ( 0.0000000 0.1395349 0.2561703), wk = 0.0027100 k( 187) = ( 0.0000000 0.1511628 0.2561703), wk = 0.0027100 k( 188) = ( 0.0000000 0.1627907 0.2561703), wk = 0.0027100 k( 189) = ( 0.0000000 0.1744186 0.2561703), wk = 0.0027100 k( 190) = ( 0.0000000 0.1860465 0.2561703), wk = 0.0027100 k( 191) = ( 0.0000000 0.1976744 0.2561703), wk = 0.0027100 k( 192) = ( 0.0000000 0.2093023 0.2561703), wk = 0.0027100 k( 193) = ( 0.0000000 0.2209302 0.2561703), wk = 0.0027100 k( 194) = ( 0.0000000 0.2325581 0.2561703), wk = 0.0027100 k( 195) = ( 0.0000000 0.2441860 0.2561703), wk = 0.0027100 k( 196) = ( 0.0000000 0.2558140 0.2561703), wk = 0.0027100 k( 197) = ( 0.0000000 0.2674419 0.2561703), wk = 0.0027100 k( 198) = ( 0.0000000 0.2790698 0.2561703), wk = 0.0027100 k( 199) = ( 0.0000000 0.2906977 0.2561703), wk = 0.0027100 k( 200) = ( 0.0000000 0.3023256 0.2561703), wk = 0.0027100 k( 201) = ( 0.0000000 0.3139535 0.2561703), wk = 0.0027100 k( 202) = ( 0.0000000 0.3255814 0.2561703), wk = 0.0027100 k( 203) = ( 0.0000000 0.3372093 0.2561703), wk = 0.0027100 k( 204) = ( 0.0000000 0.3488372 0.2561703), wk = 0.0027100 k( 205) = ( 0.0000000 0.3604651 0.2561703), wk = 0.0027100 k( 206) = ( 0.0000000 0.3720930 0.2561703), wk = 0.0027100 k( 207) = ( 0.0000000 0.3837209 0.2561703), wk = 0.0027100 k( 208) = ( 0.0000000 0.3953488 0.2561703), wk = 0.0027100 k( 209) = ( 0.0000000 0.4069767 0.2561703), wk = 0.0027100 k( 210) = ( 0.0000000 0.4186047 0.2561703), wk = 0.0027100 k( 211) = ( 0.0000000 0.4302326 0.2561703), wk = 0.0027100 k( 212) = ( 0.0000000 0.4418605 0.2561703), wk = 0.0027100 k( 213) = ( 0.0000000 0.4534884 0.2561703), wk = 0.0027100 k( 214) = ( 0.0000000 0.4651163 0.2561703), wk = 0.0027100 k( 215) = ( 0.0000000 0.4767442 0.2561703), wk = 0.0027100 k( 216) = ( 0.0000000 0.4883721 0.2561703), wk = 0.0027100 k( 217) = ( 0.0000000 0.5000000 0.2561703), wk = 0.0027100 k( 218) = ( 0.0000000 0.5000000 0.2561703), wk = 0.0027100 k( 219) = ( 0.0116279 0.5000000 0.2561703), wk = 0.0027100 k( 220) = ( 0.0232558 0.5000000 0.2561703), wk = 0.0027100 k( 221) = ( 0.0348837 0.5000000 0.2561703), wk = 0.0027100 k( 222) = ( 0.0465116 0.5000000 0.2561703), wk = 0.0027100 k( 223) = ( 0.0581395 0.5000000 0.2561703), wk = 0.0027100 k( 224) = ( 0.0697674 0.5000000 0.2561703), wk = 0.0027100 k( 225) = ( 0.0813954 0.5000000 0.2561703), wk = 0.0027100 k( 226) = ( 0.0930233 0.5000000 0.2561703), wk = 0.0027100 k( 227) = ( 0.1046512 0.5000000 0.2561703), wk = 0.0027100 k( 228) = ( 0.1162791 0.5000000 0.2561703), wk = 0.0027100 k( 229) = ( 0.1279070 0.5000000 0.2561703), wk = 0.0027100 k( 230) = ( 0.1395349 0.5000000 0.2561703), wk = 0.0027100 k( 231) = ( 0.1511628 0.5000000 0.2561703), wk = 0.0027100 k( 232) = ( 0.1627907 0.5000000 0.2561703), wk = 0.0027100 k( 233) = ( 0.1744186 0.5000000 0.2561703), wk = 0.0027100 k( 234) = ( 0.1860465 0.5000000 0.2561703), wk = 0.0027100 k( 235) = ( 0.1976744 0.5000000 0.2561703), wk = 0.0027100 k( 236) = ( 0.2093023 0.5000000 0.2561703), wk = 0.0027100 k( 237) = ( 0.2209302 0.5000000 0.2561703), wk = 0.0027100 k( 238) = ( 0.2325581 0.5000000 0.2561703), wk = 0.0027100 k( 239) = ( 0.2441860 0.5000000 0.2561703), wk = 0.0027100 k( 240) = ( 0.2558140 0.5000000 0.2561703), wk = 0.0027100 k( 241) = ( 0.2674419 0.5000000 0.2561703), wk = 0.0027100 k( 242) = ( 0.2790698 0.5000000 0.2561703), wk = 0.0027100 k( 243) = ( 0.2906977 0.5000000 0.2561703), wk = 0.0027100 k( 244) = ( 0.3023256 0.5000000 0.2561703), wk = 0.0027100 k( 245) = ( 0.3139535 0.5000000 0.2561703), wk = 0.0027100 k( 246) = ( 0.3255814 0.5000000 0.2561703), wk = 0.0027100 k( 247) = ( 0.3372093 0.5000000 0.2561703), wk = 0.0027100 k( 248) = ( 0.3488372 0.5000000 0.2561703), wk = 0.0027100 k( 249) = ( 0.3604651 0.5000000 0.2561703), wk = 0.0027100 k( 250) = ( 0.3720930 0.5000000 0.2561703), wk = 0.0027100 k( 251) = ( 0.3837209 0.5000000 0.2561703), wk = 0.0027100 k( 252) = ( 0.3953488 0.5000000 0.2561703), wk = 0.0027100 k( 253) = ( 0.4069767 0.5000000 0.2561703), wk = 0.0027100 k( 254) = ( 0.4186047 0.5000000 0.2561703), wk = 0.0027100 k( 255) = ( 0.4302326 0.5000000 0.2561703), wk = 0.0027100 k( 256) = ( 0.4418605 0.5000000 0.2561703), wk = 0.0027100 k( 257) = ( 0.4534884 0.5000000 0.2561703), wk = 0.0027100 k( 258) = ( 0.4651163 0.5000000 0.2561703), wk = 0.0027100 k( 259) = ( 0.4767442 0.5000000 0.2561703), wk = 0.0027100 k( 260) = ( 0.4883721 0.5000000 0.2561703), wk = 0.0027100 k( 261) = ( 0.5000000 0.5000000 0.2561703), wk = 0.0027100 k( 262) = ( 0.5000000 0.5000000 0.2561703), wk = 0.0027100 k( 263) = ( 0.4918033 0.4918033 0.2561703), wk = 0.0027100 k( 264) = ( 0.4836066 0.4836066 0.2561703), wk = 0.0027100 k( 265) = ( 0.4754098 0.4754098 0.2561703), wk = 0.0027100 k( 266) = ( 0.4672131 0.4672131 0.2561703), wk = 0.0027100 k( 267) = ( 0.4590164 0.4590164 0.2561703), wk = 0.0027100 k( 268) = ( 0.4508197 0.4508197 0.2561703), wk = 0.0027100 k( 269) = ( 0.4426230 0.4426229 0.2561703), wk = 0.0027100 k( 270) = ( 0.4344262 0.4344262 0.2561703), wk = 0.0027100 k( 271) = ( 0.4262295 0.4262295 0.2561703), wk = 0.0027100 k( 272) = ( 0.4180328 0.4180328 0.2561703), wk = 0.0027100 k( 273) = ( 0.4098361 0.4098361 0.2561703), wk = 0.0027100 k( 274) = ( 0.4016393 0.4016393 0.2561703), wk = 0.0027100 k( 275) = ( 0.3934426 0.3934426 0.2561703), wk = 0.0027100 k( 276) = ( 0.3852459 0.3852459 0.2561703), wk = 0.0027100 k( 277) = ( 0.3770492 0.3770492 0.2561703), wk = 0.0027100 k( 278) = ( 0.3688525 0.3688525 0.2561703), wk = 0.0027100 k( 279) = ( 0.3606557 0.3606557 0.2561703), wk = 0.0027100 k( 280) = ( 0.3524590 0.3524590 0.2561703), wk = 0.0027100 k( 281) = ( 0.3442623 0.3442623 0.2561703), wk = 0.0027100 k( 282) = ( 0.3360656 0.3360656 0.2561703), wk = 0.0027100 k( 283) = ( 0.3278688 0.3278688 0.2561703), wk = 0.0027100 k( 284) = ( 0.3196721 0.3196721 0.2561703), wk = 0.0027100 k( 285) = ( 0.3114754 0.3114754 0.2561703), wk = 0.0027100 k( 286) = ( 0.3032787 0.3032787 0.2561703), wk = 0.0027100 k( 287) = ( 0.2950820 0.2950820 0.2561703), wk = 0.0027100 k( 288) = ( 0.2868852 0.2868852 0.2561703), wk = 0.0027100 k( 289) = ( 0.2786885 0.2786885 0.2561703), wk = 0.0027100 k( 290) = ( 0.2704918 0.2704918 0.2561703), wk = 0.0027100 k( 291) = ( 0.2622951 0.2622951 0.2561703), wk = 0.0027100 k( 292) = ( 0.2540984 0.2540984 0.2561703), wk = 0.0027100 k( 293) = ( 0.2459016 0.2459016 0.2561703), wk = 0.0027100 k( 294) = ( 0.2377049 0.2377049 0.2561703), wk = 0.0027100 k( 295) = ( 0.2295082 0.2295082 0.2561703), wk = 0.0027100 k( 296) = ( 0.2213115 0.2213115 0.2561703), wk = 0.0027100 k( 297) = ( 0.2131147 0.2131147 0.2561703), wk = 0.0027100 k( 298) = ( 0.2049180 0.2049180 0.2561703), wk = 0.0027100 k( 299) = ( 0.1967213 0.1967213 0.2561703), wk = 0.0027100 k( 300) = ( 0.1885246 0.1885246 0.2561703), wk = 0.0027100 k( 301) = ( 0.1803279 0.1803279 0.2561703), wk = 0.0027100 k( 302) = ( 0.1721312 0.1721311 0.2561703), wk = 0.0027100 k( 303) = ( 0.1639344 0.1639344 0.2561703), wk = 0.0027100 k( 304) = ( 0.1557377 0.1557377 0.2561703), wk = 0.0027100 k( 305) = ( 0.1475410 0.1475410 0.2561703), wk = 0.0027100 k( 306) = ( 0.1393443 0.1393443 0.2561703), wk = 0.0027100 k( 307) = ( 0.1311475 0.1311475 0.2561703), wk = 0.0027100 k( 308) = ( 0.1229508 0.1229508 0.2561703), wk = 0.0027100 k( 309) = ( 0.1147541 0.1147541 0.2561703), wk = 0.0027100 k( 310) = ( 0.1065574 0.1065574 0.2561703), wk = 0.0027100 k( 311) = ( 0.0983607 0.0983607 0.2561703), wk = 0.0027100 k( 312) = ( 0.0901639 0.0901639 0.2561703), wk = 0.0027100 k( 313) = ( 0.0819672 0.0819672 0.2561703), wk = 0.0027100 k( 314) = ( 0.0737705 0.0737705 0.2561703), wk = 0.0027100 k( 315) = ( 0.0655738 0.0655738 0.2561703), wk = 0.0027100 k( 316) = ( 0.0573770 0.0573770 0.2561703), wk = 0.0027100 k( 317) = ( 0.0491803 0.0491803 0.2561703), wk = 0.0027100 k( 318) = ( 0.0409836 0.0409836 0.2561703), wk = 0.0027100 k( 319) = ( 0.0327869 0.0327869 0.2561703), wk = 0.0027100 k( 320) = ( 0.0245902 0.0245902 0.2561703), wk = 0.0027100 k( 321) = ( 0.0163934 0.0163934 0.2561703), wk = 0.0027100 k( 322) = ( 0.0081967 0.0081967 0.2561703), wk = 0.0027100 k( 323) = ( 0.0000000 0.0000000 0.2561703), wk = 0.0027100 k( 324) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027100 k( 325) = ( 0.0000000 0.5000000 0.0116441), wk = 0.0027100 k( 326) = ( 0.0000000 0.5000000 0.0232882), wk = 0.0027100 k( 327) = ( 0.0000000 0.5000000 0.0349323), wk = 0.0027100 k( 328) = ( 0.0000000 0.5000000 0.0465764), wk = 0.0027100 k( 329) = ( 0.0000000 0.5000000 0.0582205), wk = 0.0027100 k( 330) = ( 0.0000000 0.5000000 0.0698646), wk = 0.0027100 k( 331) = ( 0.0000000 0.5000000 0.0815087), wk = 0.0027100 k( 332) = ( 0.0000000 0.5000000 0.0931528), wk = 0.0027100 k( 333) = ( 0.0000000 0.5000000 0.1047969), wk = 0.0027100 k( 334) = ( 0.0000000 0.5000000 0.1164410), wk = 0.0027100 k( 335) = ( 0.0000000 0.5000000 0.1280851), wk = 0.0027100 k( 336) = ( 0.0000000 0.5000000 0.1397292), wk = 0.0027100 k( 337) = ( 0.0000000 0.5000000 0.1513733), wk = 0.0027100 k( 338) = ( 0.0000000 0.5000000 0.1630174), wk = 0.0027100 k( 339) = ( 0.0000000 0.5000000 0.1746615), wk = 0.0027100 k( 340) = ( 0.0000000 0.5000000 0.1863057), wk = 0.0027100 k( 341) = ( 0.0000000 0.5000000 0.1979498), wk = 0.0027100 k( 342) = ( 0.0000000 0.5000000 0.2095939), wk = 0.0027100 k( 343) = ( 0.0000000 0.5000000 0.2212380), wk = 0.0027100 k( 344) = ( 0.0000000 0.5000000 0.2328821), wk = 0.0027100 k( 345) = ( 0.0000000 0.5000000 0.2445262), wk = 0.0027100 k( 346) = ( 0.0000000 0.5000000 0.2561703), wk = 0.0027100 k( 347) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027100 k( 348) = ( 0.5000000 0.5000000 0.0116441), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 0.0232882), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.0349323), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.0465764), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.0582205), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.0698646), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.0815087), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.0931528), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.1047969), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.1164410), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.1280851), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.1397292), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.1513733), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.1630174), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.1746615), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.1863057), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.1979498), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.2095939), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.2212380), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.2328821), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.2445262), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.2561703), wk = 0.0027100 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0027100 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0027100 k( 4) = ( 0.0000000 0.0348837 0.0000000), wk = 0.0027100 k( 5) = ( 0.0000000 0.0465116 0.0000000), wk = 0.0027100 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0027100 k( 7) = ( 0.0000000 0.0697674 0.0000000), wk = 0.0027100 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0027100 k( 9) = ( 0.0000000 0.0930233 0.0000000), wk = 0.0027100 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0027100 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0027100 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0027100 k( 13) = ( 0.0000000 0.1395349 0.0000000), wk = 0.0027100 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0027100 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0027100 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0027100 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0027100 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0027100 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0027100 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0027100 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0027100 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0027100 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0027100 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0027100 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0027100 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0027100 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0027100 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0027100 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0027100 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0027100 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0027100 k( 32) = ( 0.0000000 0.3604651 0.0000000), wk = 0.0027100 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0027100 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0027100 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0027100 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0027100 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0027100 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0027100 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0027100 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0027100 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0027100 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0027100 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0027100 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0027100 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0027100 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0027100 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0027100 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0027100 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0027100 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0027100 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0027100 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0027100 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0027100 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0027100 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0027100 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0027100 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0027100 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0027100 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0027100 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0027100 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0027100 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0027100 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0027100 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0027100 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0027100 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0027100 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0027100 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0027100 k( 71) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0027100 k( 72) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0027100 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0027100 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0027100 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0027100 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0027100 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0027100 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0027100 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0027100 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0027100 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0027100 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0027100 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0027100 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0027100 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0027100 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0027100 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0027100 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0027100 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0027100 k( 92) = ( 0.4754098 0.4754098 0.0000000), wk = 0.0027100 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0027100 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0027100 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0027100 k( 96) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0027100 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0027100 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0027100 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0027100 k( 100) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0027100 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0027100 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0027100 k( 103) = ( 0.3852459 0.3852459 0.0000000), wk = 0.0027100 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0027100 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0027100 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0027100 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0027100 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0027100 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0027100 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0027100 k( 111) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0027100 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0027100 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0027100 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0027100 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0027100 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0027100 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0027100 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0027100 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0027100 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0027100 k( 121) = ( 0.2377049 0.2377049 0.0000000), wk = 0.0027100 k( 122) = ( 0.2295082 0.2295082 0.0000000), wk = 0.0027100 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0027100 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0027100 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0027100 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0027100 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0027100 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0027100 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0027100 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0027100 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0027100 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0027100 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0027100 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0027100 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0027100 k( 136) = ( 0.1147541 0.1147541 0.0000000), wk = 0.0027100 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0027100 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0027100 k( 139) = ( 0.0901639 0.0901639 0.0000000), wk = 0.0027100 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0027100 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0027100 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0027100 k( 143) = ( 0.0573770 0.0573770 0.0000000), wk = 0.0027100 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0027100 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0027100 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0027100 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0027100 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0027100 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0027100 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027100 k( 152) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0027100 k( 153) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027100 k( 154) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0027100 k( 155) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027100 k( 156) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0027100 k( 157) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027100 k( 158) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0027100 k( 159) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027100 k( 160) = ( 0.0000000 0.0000000 0.2045454), wk = 0.0027100 k( 161) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027100 k( 162) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027100 k( 163) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027100 k( 164) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0027100 k( 165) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027100 k( 166) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0027100 k( 167) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027100 k( 168) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0027100 k( 169) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027100 k( 170) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0027100 k( 171) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027100 k( 172) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0027100 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 175) = ( 0.0000000 0.0116279 0.5000000), wk = 0.0027100 k( 176) = ( 0.0000000 0.0232558 0.5000000), wk = 0.0027100 k( 177) = ( 0.0000000 0.0348837 0.5000000), wk = 0.0027100 k( 178) = ( 0.0000000 0.0465116 0.5000000), wk = 0.0027100 k( 179) = ( 0.0000000 0.0581395 0.5000000), wk = 0.0027100 k( 180) = ( 0.0000000 0.0697674 0.5000000), wk = 0.0027100 k( 181) = ( 0.0000000 0.0813954 0.5000000), wk = 0.0027100 k( 182) = ( 0.0000000 0.0930233 0.5000000), wk = 0.0027100 k( 183) = ( 0.0000000 0.1046512 0.5000000), wk = 0.0027100 k( 184) = ( 0.0000000 0.1162791 0.5000000), wk = 0.0027100 k( 185) = ( 0.0000000 0.1279070 0.5000000), wk = 0.0027100 k( 186) = ( 0.0000000 0.1395349 0.5000000), wk = 0.0027100 k( 187) = ( 0.0000000 0.1511628 0.5000000), wk = 0.0027100 k( 188) = ( 0.0000000 0.1627907 0.5000000), wk = 0.0027100 k( 189) = ( 0.0000000 0.1744186 0.5000000), wk = 0.0027100 k( 190) = ( 0.0000000 0.1860465 0.5000000), wk = 0.0027100 k( 191) = ( 0.0000000 0.1976744 0.5000000), wk = 0.0027100 k( 192) = ( 0.0000000 0.2093023 0.5000000), wk = 0.0027100 k( 193) = ( 0.0000000 0.2209302 0.5000000), wk = 0.0027100 k( 194) = ( 0.0000000 0.2325581 0.5000000), wk = 0.0027100 k( 195) = ( 0.0000000 0.2441860 0.5000000), wk = 0.0027100 k( 196) = ( 0.0000000 0.2558140 0.5000000), wk = 0.0027100 k( 197) = ( 0.0000000 0.2674419 0.5000000), wk = 0.0027100 k( 198) = ( 0.0000000 0.2790698 0.5000000), wk = 0.0027100 k( 199) = ( 0.0000000 0.2906977 0.5000000), wk = 0.0027100 k( 200) = ( 0.0000000 0.3023256 0.5000000), wk = 0.0027100 k( 201) = ( 0.0000000 0.3139535 0.5000000), wk = 0.0027100 k( 202) = ( 0.0000000 0.3255814 0.5000000), wk = 0.0027100 k( 203) = ( 0.0000000 0.3372093 0.5000000), wk = 0.0027100 k( 204) = ( 0.0000000 0.3488372 0.5000000), wk = 0.0027100 k( 205) = ( 0.0000000 0.3604651 0.5000000), wk = 0.0027100 k( 206) = ( 0.0000000 0.3720930 0.5000000), wk = 0.0027100 k( 207) = ( 0.0000000 0.3837209 0.5000000), wk = 0.0027100 k( 208) = ( 0.0000000 0.3953488 0.5000000), wk = 0.0027100 k( 209) = ( 0.0000000 0.4069767 0.5000000), wk = 0.0027100 k( 210) = ( 0.0000000 0.4186047 0.5000000), wk = 0.0027100 k( 211) = ( 0.0000000 0.4302326 0.5000000), wk = 0.0027100 k( 212) = ( 0.0000000 0.4418605 0.5000000), wk = 0.0027100 k( 213) = ( 0.0000000 0.4534884 0.5000000), wk = 0.0027100 k( 214) = ( 0.0000000 0.4651163 0.5000000), wk = 0.0027100 k( 215) = ( 0.0000000 0.4767442 0.5000000), wk = 0.0027100 k( 216) = ( 0.0000000 0.4883721 0.5000000), wk = 0.0027100 k( 217) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 218) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 219) = ( 0.0116279 0.5000000 0.5000000), wk = 0.0027100 k( 220) = ( 0.0232558 0.5000000 0.5000000), wk = 0.0027100 k( 221) = ( 0.0348837 0.5000000 0.5000000), wk = 0.0027100 k( 222) = ( 0.0465116 0.5000000 0.5000000), wk = 0.0027100 k( 223) = ( 0.0581395 0.5000000 0.5000000), wk = 0.0027100 k( 224) = ( 0.0697674 0.5000000 0.5000000), wk = 0.0027100 k( 225) = ( 0.0813954 0.5000000 0.5000000), wk = 0.0027100 k( 226) = ( 0.0930233 0.5000000 0.5000000), wk = 0.0027100 k( 227) = ( 0.1046512 0.5000000 0.5000000), wk = 0.0027100 k( 228) = ( 0.1162791 0.5000000 0.5000000), wk = 0.0027100 k( 229) = ( 0.1279070 0.5000000 0.5000000), wk = 0.0027100 k( 230) = ( 0.1395349 0.5000000 0.5000000), wk = 0.0027100 k( 231) = ( 0.1511628 0.5000000 0.5000000), wk = 0.0027100 k( 232) = ( 0.1627907 0.5000000 0.5000000), wk = 0.0027100 k( 233) = ( 0.1744186 0.5000000 0.5000000), wk = 0.0027100 k( 234) = ( 0.1860465 0.5000000 0.5000000), wk = 0.0027100 k( 235) = ( 0.1976744 0.5000000 0.5000000), wk = 0.0027100 k( 236) = ( 0.2093023 0.5000000 0.5000000), wk = 0.0027100 k( 237) = ( 0.2209302 0.5000000 0.5000000), wk = 0.0027100 k( 238) = ( 0.2325581 0.5000000 0.5000000), wk = 0.0027100 k( 239) = ( 0.2441860 0.5000000 0.5000000), wk = 0.0027100 k( 240) = ( 0.2558140 0.5000000 0.5000000), wk = 0.0027100 k( 241) = ( 0.2674419 0.5000000 0.5000000), wk = 0.0027100 k( 242) = ( 0.2790698 0.5000000 0.5000000), wk = 0.0027100 k( 243) = ( 0.2906977 0.5000000 0.5000000), wk = 0.0027100 k( 244) = ( 0.3023256 0.5000000 0.5000000), wk = 0.0027100 k( 245) = ( 0.3139535 0.5000000 0.5000000), wk = 0.0027100 k( 246) = ( 0.3255814 0.5000000 0.5000000), wk = 0.0027100 k( 247) = ( 0.3372093 0.5000000 0.5000000), wk = 0.0027100 k( 248) = ( 0.3488372 0.5000000 0.5000000), wk = 0.0027100 k( 249) = ( 0.3604651 0.5000000 0.5000000), wk = 0.0027100 k( 250) = ( 0.3720930 0.5000000 0.5000000), wk = 0.0027100 k( 251) = ( 0.3837209 0.5000000 0.5000000), wk = 0.0027100 k( 252) = ( 0.3953488 0.5000000 0.5000000), wk = 0.0027100 k( 253) = ( 0.4069767 0.5000000 0.5000000), wk = 0.0027100 k( 254) = ( 0.4186047 0.5000000 0.5000000), wk = 0.0027100 k( 255) = ( 0.4302326 0.5000000 0.5000000), wk = 0.0027100 k( 256) = ( 0.4418605 0.5000000 0.5000000), wk = 0.0027100 k( 257) = ( 0.4534884 0.5000000 0.5000000), wk = 0.0027100 k( 258) = ( 0.4651163 0.5000000 0.5000000), wk = 0.0027100 k( 259) = ( 0.4767442 0.5000000 0.5000000), wk = 0.0027100 k( 260) = ( 0.4883721 0.5000000 0.5000000), wk = 0.0027100 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 k( 263) = ( 0.4918033 0.4918033 0.5000000), wk = 0.0027100 k( 264) = ( 0.4836066 0.4836066 0.5000000), wk = 0.0027100 k( 265) = ( 0.4754098 0.4754098 0.5000000), wk = 0.0027100 k( 266) = ( 0.4672131 0.4672131 0.5000000), wk = 0.0027100 k( 267) = ( 0.4590164 0.4590164 0.5000000), wk = 0.0027100 k( 268) = ( 0.4508197 0.4508197 0.5000000), wk = 0.0027100 k( 269) = ( 0.4426230 0.4426230 0.5000000), wk = 0.0027100 k( 270) = ( 0.4344262 0.4344262 0.5000000), wk = 0.0027100 k( 271) = ( 0.4262295 0.4262295 0.5000000), wk = 0.0027100 k( 272) = ( 0.4180328 0.4180328 0.5000000), wk = 0.0027100 k( 273) = ( 0.4098361 0.4098361 0.5000000), wk = 0.0027100 k( 274) = ( 0.4016393 0.4016393 0.5000000), wk = 0.0027100 k( 275) = ( 0.3934426 0.3934426 0.5000000), wk = 0.0027100 k( 276) = ( 0.3852459 0.3852459 0.5000000), wk = 0.0027100 k( 277) = ( 0.3770492 0.3770492 0.5000000), wk = 0.0027100 k( 278) = ( 0.3688525 0.3688525 0.5000000), wk = 0.0027100 k( 279) = ( 0.3606557 0.3606557 0.5000000), wk = 0.0027100 k( 280) = ( 0.3524590 0.3524590 0.5000000), wk = 0.0027100 k( 281) = ( 0.3442623 0.3442623 0.5000000), wk = 0.0027100 k( 282) = ( 0.3360656 0.3360656 0.5000000), wk = 0.0027100 k( 283) = ( 0.3278688 0.3278688 0.5000000), wk = 0.0027100 k( 284) = ( 0.3196721 0.3196721 0.5000000), wk = 0.0027100 k( 285) = ( 0.3114754 0.3114754 0.5000000), wk = 0.0027100 k( 286) = ( 0.3032787 0.3032787 0.5000000), wk = 0.0027100 k( 287) = ( 0.2950820 0.2950820 0.5000000), wk = 0.0027100 k( 288) = ( 0.2868852 0.2868852 0.5000000), wk = 0.0027100 k( 289) = ( 0.2786885 0.2786885 0.5000000), wk = 0.0027100 k( 290) = ( 0.2704918 0.2704918 0.5000000), wk = 0.0027100 k( 291) = ( 0.2622951 0.2622951 0.5000000), wk = 0.0027100 k( 292) = ( 0.2540984 0.2540984 0.5000000), wk = 0.0027100 k( 293) = ( 0.2459016 0.2459016 0.5000000), wk = 0.0027100 k( 294) = ( 0.2377049 0.2377049 0.5000000), wk = 0.0027100 k( 295) = ( 0.2295082 0.2295082 0.5000000), wk = 0.0027100 k( 296) = ( 0.2213115 0.2213115 0.5000000), wk = 0.0027100 k( 297) = ( 0.2131147 0.2131147 0.5000000), wk = 0.0027100 k( 298) = ( 0.2049180 0.2049180 0.5000000), wk = 0.0027100 k( 299) = ( 0.1967213 0.1967213 0.5000000), wk = 0.0027100 k( 300) = ( 0.1885246 0.1885246 0.5000000), wk = 0.0027100 k( 301) = ( 0.1803279 0.1803279 0.5000000), wk = 0.0027100 k( 302) = ( 0.1721312 0.1721312 0.5000000), wk = 0.0027100 k( 303) = ( 0.1639344 0.1639344 0.5000000), wk = 0.0027100 k( 304) = ( 0.1557377 0.1557377 0.5000000), wk = 0.0027100 k( 305) = ( 0.1475410 0.1475410 0.5000000), wk = 0.0027100 k( 306) = ( 0.1393443 0.1393443 0.5000000), wk = 0.0027100 k( 307) = ( 0.1311475 0.1311475 0.5000000), wk = 0.0027100 k( 308) = ( 0.1229508 0.1229508 0.5000000), wk = 0.0027100 k( 309) = ( 0.1147541 0.1147541 0.5000000), wk = 0.0027100 k( 310) = ( 0.1065574 0.1065574 0.5000000), wk = 0.0027100 k( 311) = ( 0.0983607 0.0983607 0.5000000), wk = 0.0027100 k( 312) = ( 0.0901639 0.0901639 0.5000000), wk = 0.0027100 k( 313) = ( 0.0819672 0.0819672 0.5000000), wk = 0.0027100 k( 314) = ( 0.0737705 0.0737705 0.5000000), wk = 0.0027100 k( 315) = ( 0.0655738 0.0655738 0.5000000), wk = 0.0027100 k( 316) = ( 0.0573770 0.0573770 0.5000000), wk = 0.0027100 k( 317) = ( 0.0491803 0.0491803 0.5000000), wk = 0.0027100 k( 318) = ( 0.0409836 0.0409836 0.5000000), wk = 0.0027100 k( 319) = ( 0.0327869 0.0327869 0.5000000), wk = 0.0027100 k( 320) = ( 0.0245902 0.0245902 0.5000000), wk = 0.0027100 k( 321) = ( 0.0163934 0.0163934 0.5000000), wk = 0.0027100 k( 322) = ( 0.0081967 0.0081967 0.5000000), wk = 0.0027100 k( 323) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027100 k( 324) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027100 k( 325) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0027100 k( 326) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0027100 k( 327) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0027100 k( 328) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0027100 k( 329) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0027100 k( 330) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0027100 k( 331) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0027100 k( 332) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0027100 k( 333) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0027100 k( 334) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0027100 k( 335) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027100 k( 336) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0027100 k( 337) = ( 0.0000000 0.5000000 0.2954545), wk = 0.0027100 k( 338) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0027100 k( 339) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0027100 k( 340) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0027100 k( 341) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0027100 k( 342) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0027100 k( 343) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0027100 k( 344) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0027100 k( 345) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0027100 k( 346) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027100 k( 347) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027100 k( 348) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0027100 k( 349) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0027100 k( 350) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0027100 k( 351) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0027100 k( 352) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0027100 k( 353) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0027100 k( 354) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0027100 k( 355) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0027100 k( 356) = ( 0.5000000 0.5000000 0.2045455), wk = 0.0027100 k( 357) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0027100 k( 358) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027100 k( 359) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0027100 k( 360) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0027100 k( 361) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0027100 k( 362) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0027100 k( 363) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0027100 k( 364) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0027100 k( 365) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0027100 k( 366) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0027100 k( 367) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0027100 k( 368) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0027100 k( 369) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027100 Dense grid: 184019 G-vectors FFT dimensions: ( 60, 60, 120) Smooth grid: 31789 G-vectors FFT dimensions: ( 32, 32, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 256, 50) NL pseudopotentials 0.33 Mb ( 128, 168) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5109) G-vector shells 0.02 Mb ( 2425) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.78 Mb ( 256, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.26 Mb ( 168, 2, 50) The potential is recalculated from file : ./ZrVSi.save/charge-density.dat Starting wfc are 92 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.4 secs Computing kpt #: 7 total cpu time spent up to now is 5.9 secs Computing kpt #: 8 total cpu time spent up to now is 6.3 secs Computing kpt #: 9 total cpu time spent up to now is 6.8 secs Computing kpt #: 10 total cpu time spent up to now is 7.3 secs Computing kpt #: 11 total cpu time spent up to now is 7.8 secs Computing kpt #: 12 total cpu time spent up to now is 8.3 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.5 secs Computing kpt #: 15 total cpu time spent up to now is 10.6 secs Computing kpt #: 16 total cpu time spent up to now is 11.1 secs Computing kpt #: 17 total cpu time spent up to now is 11.6 secs Computing kpt #: 18 total cpu time spent up to now is 12.1 secs Computing kpt #: 19 total cpu time spent up to now is 12.6 secs Computing kpt #: 20 total cpu time spent up to now is 13.0 secs Computing kpt #: 21 total cpu time spent up to now is 13.5 secs Computing kpt #: 22 total cpu time spent up to now is 14.0 secs Computing kpt #: 23 total cpu time spent up to now is 14.4 secs Computing kpt #: 24 total cpu time spent up to now is 14.9 secs Computing kpt #: 25 total cpu time spent up to now is 15.4 secs Computing kpt #: 26 total cpu time spent up to now is 15.9 secs Computing kpt #: 27 total cpu time spent up to now is 16.4 secs Computing kpt #: 28 total cpu time spent up to now is 16.9 secs Computing kpt #: 29 total cpu time spent up to now is 17.4 secs Computing kpt #: 30 total cpu time spent up to now is 17.9 secs Computing kpt #: 31 total cpu time spent up to now is 18.4 secs Computing kpt #: 32 total cpu time spent up to now is 18.9 secs Computing kpt #: 33 total cpu time spent up to now is 19.4 secs Computing kpt #: 34 total cpu time spent up to now is 19.9 secs Computing kpt #: 35 total cpu time spent up to now is 20.5 secs Computing kpt #: 36 total cpu time spent up to now is 21.0 secs Computing kpt #: 37 total cpu time spent up to now is 21.5 secs Computing kpt #: 38 total cpu time spent up to now is 22.1 secs Computing kpt #: 39 total cpu time spent up to now is 22.7 secs Computing kpt #: 40 total cpu time spent up to now is 23.2 secs Computing kpt #: 41 total cpu time spent up to now is 23.9 secs Computing kpt #: 42 total cpu time spent up to now is 24.7 secs Computing kpt #: 43 total cpu time spent up to now is 25.5 secs Computing kpt #: 44 total cpu time spent up to now is 26.0 secs Computing kpt #: 45 total cpu time spent up to now is 26.5 secs Computing kpt #: 46 total cpu time spent up to now is 27.3 secs Computing kpt #: 47 total cpu time spent up to now is 28.1 secs Computing kpt #: 48 total cpu time spent up to now is 28.9 secs Computing kpt #: 49 total cpu time spent up to now is 29.5 secs Computing kpt #: 50 total cpu time spent up to now is 30.3 secs Computing kpt #: 51 total cpu time spent up to now is 31.2 secs Computing kpt #: 52 total cpu time spent up to now is 32.0 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.7 secs Computing kpt #: 55 total cpu time spent up to now is 34.7 secs Computing kpt #: 56 total cpu time spent up to now is 35.5 secs Computing kpt #: 57 total cpu time spent up to now is 36.3 secs Computing kpt #: 58 total cpu time spent up to now is 37.1 secs Computing kpt #: 59 total cpu time spent up to now is 37.9 secs Computing kpt #: 60 total cpu time spent up to now is 38.6 secs Computing kpt #: 61 total cpu time spent up to now is 39.3 secs Computing kpt #: 62 total cpu time spent up to now is 40.1 secs Computing kpt #: 63 total cpu time spent up to now is 40.6 secs Computing kpt #: 64 total cpu time spent up to now is 41.4 secs Computing kpt #: 65 total cpu time spent up to now is 42.4 secs Computing kpt #: 66 total cpu time spent up to now is 43.3 secs Computing kpt #: 67 total cpu time spent up to now is 44.2 secs Computing kpt #: 68 total cpu time spent up to now is 45.0 secs Computing kpt #: 69 total cpu time spent up to now is 45.8 secs Computing kpt #: 70 total cpu time spent up to now is 46.5 secs Computing kpt #: 71 total cpu time spent up to now is 47.3 secs Computing kpt #: 72 total cpu time spent up to now is 48.2 secs Computing kpt #: 73 total cpu time spent up to now is 49.0 secs Computing kpt #: 74 total cpu time spent up to now is 49.8 secs Computing kpt #: 75 total cpu time spent up to now is 50.6 secs Computing kpt #: 76 total cpu time spent up to now is 51.1 secs Computing kpt #: 77 total cpu time spent up to now is 51.9 secs Computing kpt #: 78 total cpu time spent up to now is 52.7 secs Computing kpt #: 79 total cpu time spent up to now is 53.3 secs Computing kpt #: 80 total cpu time spent up to now is 53.8 secs Computing kpt #: 81 total cpu time spent up to now is 54.3 secs Computing kpt #: 82 total cpu time spent up to now is 54.8 secs Computing kpt #: 83 total cpu time spent up to now is 55.3 secs Computing kpt #: 84 total cpu time spent up to now is 55.8 secs Computing kpt #: 85 total cpu time spent up to now is 56.2 secs Computing kpt #: 86 total cpu time spent up to now is 56.8 secs Computing kpt #: 87 total cpu time spent up to now is 57.2 secs Computing kpt #: 88 total cpu time spent up to now is 57.6 secs Computing kpt #: 89 total cpu time spent up to now is 58.1 secs Computing kpt #: 90 total cpu time spent up to now is 58.7 secs Computing kpt #: 91 total cpu time spent up to now is 59.3 secs Computing kpt #: 92 total cpu time spent up to now is 60.5 secs Computing kpt #: 93 total cpu time spent up to now is 61.3 secs Computing kpt #: 94 total cpu time spent up to now is 62.5 secs Computing kpt #: 95 total cpu time spent up to now is 63.3 secs Computing kpt #: 96 total cpu time spent up to now is 63.8 secs Computing kpt #: 97 total cpu time spent up to now is 64.4 secs Computing kpt #: 98 total cpu time spent up to now is 64.8 secs Computing kpt #: 99 total cpu time spent up to now is 65.4 secs Computing kpt #: 100 total cpu time spent up to now is 65.9 secs Computing kpt #: 101 total cpu time spent up to now is 66.4 secs Computing kpt #: 102 total cpu time spent up to now is 66.9 secs Computing kpt #: 103 total cpu time spent up to now is 67.4 secs Computing kpt #: 104 total cpu time spent up to now is 67.9 secs Computing kpt #: 105 total cpu time spent up to now is 68.6 secs Computing kpt #: 106 total cpu time spent up to now is 69.1 secs Computing kpt #: 107 total cpu time spent up to now is 69.7 secs Computing kpt #: 108 total cpu time spent up to now is 70.2 secs Computing kpt #: 109 total cpu time spent up to now is 70.7 secs Computing kpt #: 110 total cpu time spent up to now is 71.3 secs Computing kpt #: 111 total cpu time spent up to now is 71.8 secs Computing kpt #: 112 total cpu time spent up to now is 72.4 secs Computing kpt #: 113 total cpu time spent up to now is 72.9 secs Computing kpt #: 114 total cpu time spent up to now is 73.6 secs Computing kpt #: 115 total cpu time spent up to now is 74.3 secs Computing kpt #: 116 total cpu time spent up to now is 75.0 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 76.5 secs Computing kpt #: 118 total cpu time spent up to now is 77.7 secs Computing kpt #: 119 total cpu time spent up to now is 78.5 secs Computing kpt #: 120 total cpu time spent up to now is 79.2 secs Computing kpt #: 121 total cpu time spent up to now is 79.9 secs Computing kpt #: 122 total cpu time spent up to now is 80.3 secs Computing kpt #: 123 total cpu time spent up to now is 80.8 secs Computing kpt #: 124 total cpu time spent up to now is 81.3 secs Computing kpt #: 125 total cpu time spent up to now is 81.8 secs Computing kpt #: 126 total cpu time spent up to now is 82.4 secs Computing kpt #: 127 total cpu time spent up to now is 82.8 secs Computing kpt #: 128 total cpu time spent up to now is 83.3 secs Computing kpt #: 129 total cpu time spent up to now is 83.8 secs Computing kpt #: 130 total cpu time spent up to now is 84.2 secs Computing kpt #: 131 total cpu time spent up to now is 84.7 secs Computing kpt #: 132 total cpu time spent up to now is 85.3 secs Computing kpt #: 133 total cpu time spent up to now is 85.9 secs Computing kpt #: 134 total cpu time spent up to now is 86.6 secs Computing kpt #: 135 total cpu time spent up to now is 87.2 secs Computing kpt #: 136 total cpu time spent up to now is 87.7 secs Computing kpt #: 137 total cpu time spent up to now is 88.2 secs Computing kpt #: 138 total cpu time spent up to now is 88.7 secs Computing kpt #: 139 total cpu time spent up to now is 89.2 secs Computing kpt #: 140 total cpu time spent up to now is 89.7 secs Computing kpt #: 141 total cpu time spent up to now is 90.1 secs Computing kpt #: 142 total cpu time spent up to now is 90.6 secs Computing kpt #: 143 total cpu time spent up to now is 91.1 secs Computing kpt #: 144 total cpu time spent up to now is 91.5 secs Computing kpt #: 145 total cpu time spent up to now is 92.0 secs Computing kpt #: 146 total cpu time spent up to now is 92.5 secs Computing kpt #: 147 total cpu time spent up to now is 93.0 secs Computing kpt #: 148 total cpu time spent up to now is 93.4 secs Computing kpt #: 149 total cpu time spent up to now is 93.9 secs Computing kpt #: 150 total cpu time spent up to now is 94.4 secs Computing kpt #: 151 total cpu time spent up to now is 94.9 secs Computing kpt #: 152 total cpu time spent up to now is 95.4 secs Computing kpt #: 153 total cpu time spent up to now is 95.8 secs Computing kpt #: 154 total cpu time spent up to now is 96.3 secs Computing kpt #: 155 total cpu time spent up to now is 96.8 secs Computing kpt #: 156 total cpu time spent up to now is 97.3 secs Computing kpt #: 157 total cpu time spent up to now is 97.7 secs Computing kpt #: 158 total cpu time spent up to now is 98.2 secs Computing kpt #: 159 total cpu time spent up to now is 98.7 secs Computing kpt #: 160 total cpu time spent up to now is 99.2 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 100.6 secs Computing kpt #: 162 total cpu time spent up to now is 101.3 secs Computing kpt #: 163 total cpu time spent up to now is 101.9 secs Computing kpt #: 164 total cpu time spent up to now is 102.5 secs Computing kpt #: 165 total cpu time spent up to now is 103.1 secs Computing kpt #: 166 total cpu time spent up to now is 103.6 secs Computing kpt #: 167 total cpu time spent up to now is 104.3 secs Computing kpt #: 168 total cpu time spent up to now is 104.9 secs Computing kpt #: 169 total cpu time spent up to now is 105.4 secs Computing kpt #: 170 total cpu time spent up to now is 106.1 secs Computing kpt #: 171 total cpu time spent up to now is 106.7 secs Computing kpt #: 172 total cpu time spent up to now is 107.5 secs Computing kpt #: 173 total cpu time spent up to now is 108.5 secs Computing kpt #: 174 total cpu time spent up to now is 109.4 secs Computing kpt #: 175 total cpu time spent up to now is 110.1 secs Computing kpt #: 176 total cpu time spent up to now is 110.8 secs Computing kpt #: 177 total cpu time spent up to now is 112.0 secs Computing kpt #: 178 total cpu time spent up to now is 112.8 secs Computing kpt #: 179 total cpu time spent up to now is 113.6 secs Computing kpt #: 180 total cpu time spent up to now is 114.5 secs Computing kpt #: 181 total cpu time spent up to now is 115.5 secs Computing kpt #: 182 total cpu time spent up to now is 116.6 secs Computing kpt #: 183 total cpu time spent up to now is 117.3 secs Computing kpt #: 184 total cpu time spent up to now is 118.0 secs Computing kpt #: 185 total cpu time spent up to now is 118.6 secs Computing kpt #: 186 total cpu time spent up to now is 119.1 secs Computing kpt #: 187 total cpu time spent up to now is 119.6 secs Computing kpt #: 188 total cpu time spent up to now is 120.1 secs Computing kpt #: 189 total cpu time spent up to now is 120.6 secs Computing kpt #: 190 total cpu time spent up to now is 121.1 secs Computing kpt #: 191 total cpu time spent up to now is 121.5 secs Computing kpt #: 192 total cpu time spent up to now is 122.1 secs Computing kpt #: 193 total cpu time spent up to now is 122.6 secs Computing kpt #: 194 total cpu time spent up to now is 123.1 secs Computing kpt #: 195 total cpu time spent up to now is 123.6 secs Computing kpt #: 196 total cpu time spent up to now is 124.1 secs Computing kpt #: 197 total cpu time spent up to now is 124.6 secs Computing kpt #: 198 total cpu time spent up to now is 125.2 secs Computing kpt #: 199 total cpu time spent up to now is 125.7 secs Computing kpt #: 200 total cpu time spent up to now is 126.3 secs Computing kpt #: 201 total cpu time spent up to now is 127.1 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 128.5 secs Computing kpt #: 203 total cpu time spent up to now is 129.6 secs Computing kpt #: 204 total cpu time spent up to now is 130.5 secs Computing kpt #: 205 total cpu time spent up to now is 131.3 secs Computing kpt #: 206 total cpu time spent up to now is 132.0 secs Computing kpt #: 207 total cpu time spent up to now is 132.7 secs Computing kpt #: 208 total cpu time spent up to now is 133.3 secs Computing kpt #: 209 total cpu time spent up to now is 133.9 secs Computing kpt #: 210 total cpu time spent up to now is 134.5 secs Computing kpt #: 211 total cpu time spent up to now is 135.0 secs Computing kpt #: 212 total cpu time spent up to now is 135.6 secs Computing kpt #: 213 total cpu time spent up to now is 136.4 secs Computing kpt #: 214 total cpu time spent up to now is 137.2 secs Computing kpt #: 215 total cpu time spent up to now is 137.9 secs Computing kpt #: 216 total cpu time spent up to now is 139.2 secs Computing kpt #: 217 total cpu time spent up to now is 139.7 secs Computing kpt #: 218 total cpu time spent up to now is 140.2 secs Computing kpt #: 219 total cpu time spent up to now is 140.7 secs Computing kpt #: 220 total cpu time spent up to now is 141.2 secs Computing kpt #: 221 total cpu time spent up to now is 141.8 secs Computing kpt #: 222 total cpu time spent up to now is 142.6 secs Computing kpt #: 223 total cpu time spent up to now is 143.5 secs Computing kpt #: 224 total cpu time spent up to now is 144.0 secs Computing kpt #: 225 total cpu time spent up to now is 144.5 secs Computing kpt #: 226 total cpu time spent up to now is 145.1 secs Computing kpt #: 227 total cpu time spent up to now is 145.6 secs Computing kpt #: 228 total cpu time spent up to now is 146.6 secs Computing kpt #: 229 total cpu time spent up to now is 147.2 secs Computing kpt #: 230 total cpu time spent up to now is 148.0 secs Computing kpt #: 231 total cpu time spent up to now is 149.0 secs Computing kpt #: 232 total cpu time spent up to now is 150.2 secs Computing kpt #: 233 total cpu time spent up to now is 151.2 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.6 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 154.0 secs Computing kpt #: 236 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.3 secs Computing kpt #: 237 total cpu time spent up to now is 156.6 secs Computing kpt #: 238 total cpu time spent up to now is 157.5 secs Computing kpt #: 239 total cpu time spent up to now is 158.6 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 160.0 secs Computing kpt #: 241 total cpu time spent up to now is 161.4 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 162.8 secs Computing kpt #: 243 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 164.2 secs Computing kpt #: 244 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 165.7 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.1 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 168.5 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 169.9 secs Computing kpt #: 248 total cpu time spent up to now is 170.4 secs Computing kpt #: 249 total cpu time spent up to now is 170.9 secs Computing kpt #: 250 total cpu time spent up to now is 172.0 secs Computing kpt #: 251 total cpu time spent up to now is 172.7 secs Computing kpt #: 252 total cpu time spent up to now is 173.3 secs Computing kpt #: 253 total cpu time spent up to now is 173.9 secs Computing kpt #: 254 total cpu time spent up to now is 174.6 secs Computing kpt #: 255 total cpu time spent up to now is 175.1 secs Computing kpt #: 256 total cpu time spent up to now is 175.7 secs Computing kpt #: 257 total cpu time spent up to now is 176.1 secs Computing kpt #: 258 total cpu time spent up to now is 176.6 secs Computing kpt #: 259 total cpu time spent up to now is 177.1 secs Computing kpt #: 260 total cpu time spent up to now is 177.5 secs Computing kpt #: 261 total cpu time spent up to now is 178.0 secs Computing kpt #: 262 total cpu time spent up to now is 178.5 secs Computing kpt #: 263 total cpu time spent up to now is 179.0 secs Computing kpt #: 264 total cpu time spent up to now is 179.5 secs Computing kpt #: 265 total cpu time spent up to now is 180.4 secs Computing kpt #: 266 total cpu time spent up to now is 181.6 secs Computing kpt #: 267 total cpu time spent up to now is 182.4 secs Computing kpt #: 268 total cpu time spent up to now is 183.2 secs Computing kpt #: 269 total cpu time spent up to now is 184.1 secs Computing kpt #: 270 total cpu time spent up to now is 185.0 secs Computing kpt #: 271 total cpu time spent up to now is 185.9 secs Computing kpt #: 272 total cpu time spent up to now is 186.7 secs Computing kpt #: 273 total cpu time spent up to now is 187.4 secs Computing kpt #: 274 total cpu time spent up to now is 188.2 secs Computing kpt #: 275 total cpu time spent up to now is 188.9 secs Computing kpt #: 276 total cpu time spent up to now is 189.5 secs Computing kpt #: 277 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.9 secs Computing kpt #: 278 total cpu time spent up to now is 191.8 secs Computing kpt #: 279 total cpu time spent up to now is 192.7 secs Computing kpt #: 280 total cpu time spent up to now is 193.6 secs Computing kpt #: 281 total cpu time spent up to now is 194.4 secs Computing kpt #: 282 total cpu time spent up to now is 195.2 secs Computing kpt #: 283 total cpu time spent up to now is 196.1 secs Computing kpt #: 284 total cpu time spent up to now is 196.8 secs Computing kpt #: 285 total cpu time spent up to now is 197.6 secs Computing kpt #: 286 total cpu time spent up to now is 198.7 secs Computing kpt #: 287 total cpu time spent up to now is 199.6 secs Computing kpt #: 288 total cpu time spent up to now is 200.8 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 202.2 secs Computing kpt #: 290 total cpu time spent up to now is 203.4 secs Computing kpt #: 291 total cpu time spent up to now is 204.1 secs Computing kpt #: 292 total cpu time spent up to now is 204.8 secs Computing kpt #: 293 total cpu time spent up to now is 205.3 secs Computing kpt #: 294 total cpu time spent up to now is 205.8 secs Computing kpt #: 295 total cpu time spent up to now is 206.3 secs Computing kpt #: 296 total cpu time spent up to now is 206.8 secs Computing kpt #: 297 total cpu time spent up to now is 207.3 secs Computing kpt #: 298 total cpu time spent up to now is 207.7 secs Computing kpt #: 299 total cpu time spent up to now is 208.2 secs Computing kpt #: 300 total cpu time spent up to now is 208.7 secs Computing kpt #: 301 total cpu time spent up to now is 209.2 secs Computing kpt #: 302 total cpu time spent up to now is 209.6 secs Computing kpt #: 303 total cpu time spent up to now is 210.1 secs Computing kpt #: 304 total cpu time spent up to now is 210.6 secs Computing kpt #: 305 total cpu time spent up to now is 211.1 secs Computing kpt #: 306 total cpu time spent up to now is 211.6 secs Computing kpt #: 307 total cpu time spent up to now is 212.0 secs Computing kpt #: 308 total cpu time spent up to now is 212.5 secs Computing kpt #: 309 total cpu time spent up to now is 213.0 secs Computing kpt #: 310 total cpu time spent up to now is 213.5 secs Computing kpt #: 311 total cpu time spent up to now is 214.0 secs Computing kpt #: 312 total cpu time spent up to now is 214.6 secs Computing kpt #: 313 total cpu time spent up to now is 215.1 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.5 secs Computing kpt #: 315 total cpu time spent up to now is 217.8 secs Computing kpt #: 316 total cpu time spent up to now is 218.5 secs Computing kpt #: 317 total cpu time spent up to now is 219.5 secs Computing kpt #: 318 total cpu time spent up to now is 220.4 secs Computing kpt #: 319 total cpu time spent up to now is 221.1 secs Computing kpt #: 320 total cpu time spent up to now is 221.8 secs Computing kpt #: 321 total cpu time spent up to now is 222.8 secs Computing kpt #: 322 total cpu time spent up to now is 223.5 secs Computing kpt #: 323 total cpu time spent up to now is 224.1 secs Computing kpt #: 324 total cpu time spent up to now is 224.6 secs Computing kpt #: 325 total cpu time spent up to now is 225.2 secs Computing kpt #: 326 total cpu time spent up to now is 225.6 secs Computing kpt #: 327 total cpu time spent up to now is 226.2 secs Computing kpt #: 328 total cpu time spent up to now is 226.7 secs Computing kpt #: 329 total cpu time spent up to now is 227.2 secs Computing kpt #: 330 total cpu time spent up to now is 227.6 secs Computing kpt #: 331 total cpu time spent up to now is 228.1 secs Computing kpt #: 332 total cpu time spent up to now is 228.7 secs Computing kpt #: 333 total cpu time spent up to now is 229.1 secs Computing kpt #: 334 total cpu time spent up to now is 229.6 secs Computing kpt #: 335 total cpu time spent up to now is 230.1 secs Computing kpt #: 336 total cpu time spent up to now is 230.5 secs Computing kpt #: 337 total cpu time spent up to now is 231.0 secs Computing kpt #: 338 total cpu time spent up to now is 231.5 secs Computing kpt #: 339 total cpu time spent up to now is 231.9 secs Computing kpt #: 340 total cpu time spent up to now is 232.4 secs Computing kpt #: 341 total cpu time spent up to now is 232.9 secs Computing kpt #: 342 total cpu time spent up to now is 233.4 secs Computing kpt #: 343 total cpu time spent up to now is 233.9 secs Computing kpt #: 344 total cpu time spent up to now is 234.4 secs Computing kpt #: 345 total cpu time spent up to now is 234.8 secs Computing kpt #: 346 total cpu time spent up to now is 235.3 secs Computing kpt #: 347 total cpu time spent up to now is 235.8 secs Computing kpt #: 348 total cpu time spent up to now is 236.3 secs Computing kpt #: 349 total cpu time spent up to now is 236.7 secs Computing kpt #: 350 total cpu time spent up to now is 237.2 secs Computing kpt #: 351 total cpu time spent up to now is 237.6 secs Computing kpt #: 352 total cpu time spent up to now is 238.1 secs Computing kpt #: 353 total cpu time spent up to now is 238.5 secs Computing kpt #: 354 total cpu time spent up to now is 239.0 secs Computing kpt #: 355 total cpu time spent up to now is 239.5 secs Computing kpt #: 356 total cpu time spent up to now is 240.0 secs Computing kpt #: 357 total cpu time spent up to now is 240.5 secs Computing kpt #: 358 total cpu time spent up to now is 241.0 secs Computing kpt #: 359 total cpu time spent up to now is 241.5 secs Computing kpt #: 360 total cpu time spent up to now is 242.0 secs Computing kpt #: 361 total cpu time spent up to now is 242.4 secs Computing kpt #: 362 total cpu time spent up to now is 242.9 secs Computing kpt #: 363 total cpu time spent up to now is 243.4 secs Computing kpt #: 364 total cpu time spent up to now is 243.8 secs Computing kpt #: 365 total cpu time spent up to now is 244.2 secs Computing kpt #: 366 total cpu time spent up to now is 244.7 secs Computing kpt #: 367 total cpu time spent up to now is 245.2 secs Computing kpt #: 368 total cpu time spent up to now is 245.7 secs Computing kpt #: 369 total cpu time spent up to now is 246.2 secs ethr = 2.38E-08, avg # of iterations = 37.6 total cpu time spent up to now is 246.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3943 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6192 1.6192 2.9827 2.9827 6.3798 6.3798 8.1491 8.1491 9.1771 9.1771 9.1831 9.1831 9.1958 9.1958 9.3308 9.3308 9.7730 9.7730 10.3997 10.3997 11.2759 11.2759 11.3751 11.3751 11.4050 11.4050 12.3543 12.3543 12.4115 12.4115 12.6693 12.6693 12.9699 12.9699 k = 0.0000 0.0116-0.0000 ( 3953 PWs) bands (ev): -52.6347 -52.6347 -52.4798 -52.4798 -27.1086 -27.1086 -26.8578 -26.8578 -26.3616 -26.3616 -26.1680 -26.1680 -26.0662 -26.0662 -25.8495 -25.8495 1.6208 1.6208 2.9837 2.9837 6.3813 6.3813 8.1500 8.1500 9.1751 9.1751 9.1818 9.1818 9.1941 9.1941 9.3308 9.3308 9.7741 9.7741 10.4005 10.4005 11.2769 11.2769 11.3742 11.3742 11.4041 11.4041 12.3498 12.3498 12.4069 12.4069 12.6641 12.6641 12.9726 12.9726 k = 0.0000 0.0233-0.0000 ( 3953 PWs) bands (ev): -52.6346 -52.6346 -52.4799 -52.4799 -27.1083 -27.1083 -26.8579 -26.8579 -26.3612 -26.3612 -26.1681 -26.1681 -26.0665 -26.0665 -25.8500 -25.8500 1.6254 1.6254 2.9868 2.9868 6.3859 6.3859 8.1526 8.1526 9.1677 9.1677 9.1779 9.1779 9.1906 9.1906 9.3310 9.3310 9.7773 9.7773 10.4029 10.4029 11.2797 11.2797 11.3713 11.3713 11.4013 11.4013 12.3358 12.3358 12.3942 12.3942 12.6490 12.6490 12.9804 12.9804 k = 0.0000 0.0349-0.0000 ( 3961 PWs) bands (ev): -52.6343 -52.6343 -52.4802 -52.4802 -27.1078 -27.1078 -26.8582 -26.8582 -26.3604 -26.3604 -26.1681 -26.1681 -26.0669 -26.0669 -25.8510 -25.8510 1.6331 1.6331 2.9919 2.9919 6.3935 6.3935 8.1569 8.1569 9.1527 9.1527 9.1712 9.1712 9.1878 9.1878 9.3313 9.3313 9.7825 9.7825 10.4068 10.4068 11.2842 11.2842 11.3664 11.3664 11.3968 11.3968 12.3112 12.3112 12.3759 12.3759 12.6248 12.6248 12.9927 12.9927 k = 0.0000 0.0465-0.0000 ( 3951 PWs) bands (ev): -52.6339 -52.6339 -52.4805 -52.4805 -27.1070 -27.1070 -26.8585 -26.8585 -26.3593 -26.3593 -26.1681 -26.1681 -26.0675 -26.0675 -25.8523 -25.8523 1.6439 1.6439 2.9990 2.9990 6.4042 6.4042 8.1629 8.1629 9.1303 9.1303 9.1614 9.1614 9.1857 9.1857 9.3320 9.3320 9.7899 9.7899 10.4119 10.4119 11.2900 11.2900 11.3593 11.3593 11.3905 11.3905 12.2758 12.2758 12.3545 12.3545 12.5931 12.5931 13.0087 13.0087 k = 0.0000 0.0581-0.0000 ( 3947 PWs) bands (ev): -52.6335 -52.6335 -52.4810 -52.4810 -27.1061 -27.1061 -26.8589 -26.8589 -26.3579 -26.3579 -26.1681 -26.1681 -26.0682 -26.0682 -25.8540 -25.8540 1.6577 1.6577 3.0081 3.0081 6.4178 6.4178 8.1703 8.1703 9.1014 9.1014 9.1484 9.1484 9.1840 9.1840 9.3331 9.3331 9.7993 9.7993 10.4182 10.4182 11.2969 11.2969 11.3501 11.3501 11.3822 11.3822 12.2313 12.2313 12.3313 12.3313 12.5552 12.5552 13.0277 13.0277 k = 0.0000 0.0698-0.0000 ( 3949 PWs) bands (ev): -52.6329 -52.6329 -52.4816 -52.4816 -27.1049 -27.1049 -26.8595 -26.8595 -26.3562 -26.3562 -26.1681 -26.1681 -26.0691 -26.0691 -25.8560 -25.8560 1.6745 1.6745 3.0191 3.0191 6.4343 6.4343 8.1792 8.1792 9.0668 9.0668 9.1319 9.1319 9.1822 9.1822 9.3349 9.3349 9.8107 9.8107 10.4254 10.4254 11.3044 11.3044 11.3389 11.3389 11.3714 11.3714 12.1804 12.1804 12.3067 12.3067 12.5128 12.5128 13.0486 13.0486 k = 0.0000 0.0814-0.0000 ( 3955 PWs) bands (ev): -52.6322 -52.6322 -52.4822 -52.4822 -27.1036 -27.1036 -26.8602 -26.8602 -26.3542 -26.3542 -26.1681 -26.1681 -26.0701 -26.0701 -25.8584 -25.8584 1.6944 1.6944 3.0321 3.0321 6.4537 6.4537 8.1892 8.1892 9.0271 9.0271 9.1118 9.1118 9.1804 9.1804 9.3374 9.3374 9.8242 9.8242 10.4334 10.4334 11.3118 11.3118 11.3259 11.3259 11.3577 11.3577 12.1265 12.1265 12.2810 12.2810 12.4673 12.4673 13.0705 13.0705 k = 0.0000 0.0930-0.0000 ( 3955 PWs) bands (ev): -52.6315 -52.6315 -52.4830 -52.4830 -27.1020 -27.1020 -26.8609 -26.8609 -26.3519 -26.3519 -26.1681 -26.1681 -26.0713 -26.0713 -25.8612 -25.8612 1.7172 1.7172 3.0470 3.0470 6.4759 6.4759 8.2001 8.2001 8.9829 8.9829 9.0880 9.0880 9.1784 9.1784 9.3407 9.3407 9.8395 9.8395 10.4419 10.4419 11.3101 11.3101 11.3181 11.3181 11.3413 11.3413 12.0725 12.0725 12.2547 12.2547 12.4197 12.4197 13.0927 13.0927 k = 0.0000 0.1047-0.0000 ( 3951 PWs) bands (ev): -52.6306 -52.6306 -52.4838 -52.4838 -27.1002 -27.1002 -26.8618 -26.8618 -26.3493 -26.3493 -26.1681 -26.1681 -26.0726 -26.0726 -25.8643 -25.8643 1.7429 1.7429 3.0637 3.0637 6.5009 6.5009 8.2115 8.2115 8.9348 8.9348 9.0605 9.0605 9.1764 9.1764 9.3450 9.3450 9.8568 9.8568 10.4507 10.4507 11.2901 11.2901 11.3146 11.3146 11.3310 11.3310 12.0212 12.0212 12.2282 12.2282 12.3711 12.3711 13.1145 13.1145 k = 0.0000 0.1163-0.0000 ( 3957 PWs) bands (ev): -52.6296 -52.6296 -52.4848 -52.4848 -27.0982 -27.0982 -26.8627 -26.8627 -26.3464 -26.3464 -26.1681 -26.1681 -26.0741 -26.0741 -25.8678 -25.8678 1.7716 1.7716 3.0822 3.0822 6.5284 6.5284 8.2232 8.2232 8.8833 8.8833 9.0294 9.0294 9.1742 9.1742 9.3502 9.3502 9.8759 9.8759 10.4597 10.4597 11.2612 11.2612 11.2984 11.2984 11.3330 11.3330 11.9752 11.9752 12.2023 12.2023 12.3225 12.3225 13.1353 13.1353 k = 0.0000 0.1279-0.0000 ( 3957 PWs) bands (ev): -52.6285 -52.6285 -52.4858 -52.4858 -27.0961 -27.0961 -26.8638 -26.8638 -26.3432 -26.3432 -26.1681 -26.1681 -26.0757 -26.0757 -25.8716 -25.8716 1.8031 1.8031 3.1024 3.1024 6.5584 6.5584 8.2343 8.2343 8.8289 8.8289 8.9952 8.9952 9.1718 9.1718 9.3566 9.3566 9.8969 9.8969 10.4687 10.4687 11.2216 11.2216 11.2822 11.2822 11.3350 11.3350 11.9360 11.9360 12.1776 12.1776 12.2744 12.2744 13.1546 13.1546 k = 0.0000 0.1395-0.0000 ( 3965 PWs) bands (ev): -52.6274 -52.6274 -52.4870 -52.4870 -27.0937 -27.0937 -26.8650 -26.8650 -26.3397 -26.3397 -26.1681 -26.1681 -26.0774 -26.0774 -25.8758 -25.8758 1.8374 1.8374 3.1242 3.1242 6.5907 6.5907 8.2442 8.2442 8.7723 8.7723 8.9584 8.9584 9.1694 9.1694 9.3641 9.3641 9.9196 9.9196 10.4776 10.4776 11.1723 11.1723 11.2669 11.2669 11.3347 11.3347 11.9045 11.9045 12.1547 12.1547 12.2277 12.2277 13.1723 13.1723 k = 0.0000 0.1512-0.0000 ( 3958 PWs) bands (ev): -52.6261 -52.6261 -52.4882 -52.4882 -27.0912 -27.0912 -26.8663 -26.8663 -26.3359 -26.3359 -26.1681 -26.1681 -26.0792 -26.0792 -25.8803 -25.8803 1.8745 1.8745 3.1477 3.1477 6.6252 6.6252 8.2519 8.2519 8.7138 8.7138 8.9199 8.9199 9.1669 9.1669 9.3727 9.3727 9.9441 9.9441 10.4862 10.4862 11.1147 11.1147 11.2516 11.2516 11.3313 11.3313 11.8806 11.8806 12.1342 12.1342 12.1831 12.1831 13.1698 13.1698 k = 0.0000 0.1628-0.0000 ( 3952 PWs) bands (ev): -52.6248 -52.6248 -52.4895 -52.4895 -27.0885 -27.0885 -26.8677 -26.8677 -26.3319 -26.3319 -26.1680 -26.1680 -26.0812 -26.0812 -25.8851 -25.8851 1.9143 1.9143 3.1725 3.1725 6.6617 6.6617 8.2560 8.2560 8.6540 8.6540 8.8810 8.8810 9.1643 9.1643 9.3827 9.3827 9.9702 9.9702 10.4945 10.4945 11.0504 11.0504 11.2358 11.2358 11.3243 11.3243 11.8637 11.8637 12.1147 12.1147 12.1433 12.1433 13.1391 13.1391 k = 0.0000 0.1744-0.0000 ( 3954 PWs) bands (ev): -52.6233 -52.6233 -52.4910 -52.4910 -27.0856 -27.0856 -26.8692 -26.8692 -26.3275 -26.3275 -26.1680 -26.1680 -26.0832 -26.0832 -25.8902 -25.8902 1.9567 1.9567 3.1988 3.1988 6.6998 6.6998 8.2547 8.2547 8.5934 8.5934 8.8435 8.8435 9.1617 9.1617 9.3940 9.3940 9.9980 9.9980 10.5023 10.5023 10.9808 10.9808 11.2190 11.2190 11.3136 11.3136 11.8526 11.8526 12.0876 12.0876 12.1180 12.1180 13.1081 13.1081 k = 0.0000 0.1860-0.0000 ( 3958 PWs) bands (ev): -52.6218 -52.6218 -52.4925 -52.4925 -27.0825 -27.0825 -26.8709 -26.8709 -26.3229 -26.3229 -26.1679 -26.1679 -26.0854 -26.0854 -25.8956 -25.8956 2.0016 2.0016 3.2263 3.2263 6.7393 6.7393 8.2459 8.2459 8.5325 8.5325 8.8095 8.8095 9.1591 9.1591 9.4067 9.4067 10.0274 10.0274 10.5095 10.5095 10.9075 10.9075 11.2008 11.2008 11.2989 11.2989 11.8461 11.8461 12.0522 12.0522 12.1088 12.1088 13.0767 13.0767 k = 0.0000 0.1977-0.0000 ( 3954 PWs) bands (ev): -52.6202 -52.6202 -52.4941 -52.4941 -27.0793 -27.0793 -26.8726 -26.8726 -26.3180 -26.3180 -26.1678 -26.1678 -26.0876 -26.0876 -25.9014 -25.9014 2.0490 2.0490 3.2549 3.2549 6.7799 6.7799 8.2278 8.2278 8.4719 8.4719 8.7812 8.7812 9.1566 9.1566 9.4210 9.4210 10.0584 10.0584 10.5159 10.5159 10.8317 10.8317 11.1807 11.1807 11.2803 11.2803 11.8431 11.8431 12.0171 12.0171 12.1080 12.1080 13.0449 13.0449 k = 0.0000 0.2093-0.0000 ( 3966 PWs) bands (ev): -52.6185 -52.6185 -52.4957 -52.4957 -27.0759 -27.0759 -26.8745 -26.8745 -26.3129 -26.3129 -26.1677 -26.1677 -26.0900 -26.0900 -25.9074 -25.9074 2.0988 2.0988 3.2846 3.2846 6.8211 6.8211 8.1985 8.1985 8.4122 8.4122 8.7603 8.7603 9.1541 9.1541 9.4370 9.4370 10.0910 10.0910 10.5214 10.5214 10.7544 10.7544 11.1586 11.1586 11.2580 11.2580 11.8425 11.8425 11.9843 11.9843 12.1140 12.1140 13.0126 13.0126 k = 0.0000 0.2209-0.0000 ( 3964 PWs) bands (ev): -52.6167 -52.6167 -52.4975 -52.4975 -27.0724 -27.0724 -26.8766 -26.8766 -26.3074 -26.3074 -26.1675 -26.1675 -26.0924 -26.0924 -25.9137 -25.9137 2.1509 2.1509 3.3151 3.3151 6.8624 6.8624 8.1579 8.1579 8.3541 8.3541 8.7473 8.7473 9.1517 9.1517 9.4546 9.4546 10.1250 10.1250 10.5258 10.5258 10.6767 10.6767 11.1343 11.1343 11.2323 11.2323 11.8433 11.8433 11.9544 11.9544 12.1264 12.1264 12.9797 12.9797 k = 0.0000 0.2326-0.0000 ( 3958 PWs) bands (ev): -52.6148 -52.6148 -52.4993 -52.4993 -27.0687 -27.0687 -26.8787 -26.8787 -26.3018 -26.3018 -26.1674 -26.1674 -26.0948 -26.0948 -25.9202 -25.9202 2.2052 2.2052 3.3463 3.3463 6.9030 6.9030 8.1064 8.1064 8.2983 8.2983 8.7420 8.7420 9.1495 9.1495 9.4741 9.4741 10.1605 10.1605 10.5285 10.5285 10.5994 10.5994 11.1079 11.1079 11.2037 11.2037 11.8448 11.8448 11.9279 11.9279 12.1449 12.1449 12.9461 12.9461 k = 0.0000 0.2442-0.0000 ( 3952 PWs) bands (ev): -52.6128 -52.6128 -52.5012 -52.5012 -27.0648 -27.0648 -26.8809 -26.8809 -26.2958 -26.2958 -26.1672 -26.1672 -26.0973 -26.0973 -25.9270 -25.9270 2.2616 2.2616 3.3780 3.3780 6.9423 6.9423 8.0457 8.0457 8.2458 8.2458 8.7430 8.7430 9.1475 9.1475 9.4953 9.4953 10.1974 10.1974 10.5152 10.5152 10.5375 10.5375 11.0796 11.0796 11.1726 11.1726 11.8458 11.8458 11.9050 11.9050 12.1688 12.1688 12.9120 12.9120 k = 0.0000 0.2558-0.0000 ( 3952 PWs) bands (ev): -52.6108 -52.6108 -52.5032 -52.5032 -27.0609 -27.0609 -26.8833 -26.8833 -26.2897 -26.2897 -26.1669 -26.1669 -26.0998 -26.0998 -25.9341 -25.9341 2.3199 2.3199 3.4100 3.4100 6.9792 6.9792 7.9776 7.9776 8.1976 8.1976 8.7487 8.7487 9.1457 9.1457 9.5184 9.5184 10.2357 10.2357 10.4434 10.4434 10.5334 10.5334 11.0497 11.0497 11.1398 11.1398 11.8453 11.8453 11.8865 11.8865 12.1974 12.1974 12.8773 12.8773 k = 0.0000 0.2674-0.0000 ( 3954 PWs) bands (ev): -52.6087 -52.6087 -52.5053 -52.5053 -27.0568 -27.0568 -26.8858 -26.8858 -26.2833 -26.2833 -26.1666 -26.1666 -26.1024 -26.1024 -25.9414 -25.9414 2.3800 2.3800 3.4421 3.4421 7.0125 7.0125 7.9040 7.9040 8.1548 8.1548 8.7577 8.7577 9.1444 9.1444 9.5434 9.5434 10.2753 10.2753 10.3688 10.3688 10.5314 10.5314 11.0187 11.0187 11.1059 11.1059 11.8417 11.8417 11.8732 11.8732 12.2297 12.2297 12.8421 12.8421 k = 0.0000 0.2791-0.0000 ( 3958 PWs) bands (ev): -52.6066 -52.6066 -52.5074 -52.5074 -27.0526 -27.0526 -26.8885 -26.8885 -26.2766 -26.2766 -26.1663 -26.1663 -26.1050 -26.1050 -25.9489 -25.9489 2.4418 2.4418 3.4741 3.4741 7.0410 7.0410 7.8263 7.8263 8.1190 8.1190 8.7687 8.7687 9.1434 9.1434 9.5700 9.5700 10.2954 10.2954 10.3164 10.3164 10.5276 10.5276 10.9868 10.9868 11.0717 11.0717 11.8348 11.8348 11.8649 11.8649 12.2646 12.2646 12.8063 12.8063 k = 0.0000 0.2907-0.0000 ( 3954 PWs) bands (ev): -52.6044 -52.6044 -52.5096 -52.5096 -27.0482 -27.0482 -26.8913 -26.8913 -26.2698 -26.2698 -26.1660 -26.1660 -26.1076 -26.1076 -25.9566 -25.9566 2.5051 2.5051 3.5056 3.5056 7.0633 7.0633 7.7459 7.7459 8.0914 8.0914 8.7809 8.7809 9.1430 9.1430 9.5984 9.5984 10.2240 10.2240 10.3586 10.3586 10.5214 10.5214 10.9547 10.9547 11.0381 11.0381 11.8268 11.8268 11.8589 11.8589 12.3007 12.3007 12.7701 12.7701 k = 0.0000 0.3023-0.0000 ( 3962 PWs) bands (ev): -52.6021 -52.6021 -52.5119 -52.5119 -27.0438 -27.0438 -26.8942 -26.8942 -26.2627 -26.2627 -26.1655 -26.1655 -26.1103 -26.1103 -25.9646 -25.9646 2.5697 2.5697 3.5365 3.5365 7.0780 7.0780 7.6639 7.6639 8.0735 8.0735 8.7933 8.7933 9.1432 9.1432 9.6282 9.6282 10.1544 10.1544 10.4020 10.4020 10.5123 10.5123 10.9228 10.9228 11.0056 11.0056 11.8197 11.8197 11.8526 11.8526 12.3367 12.3367 12.7334 12.7334 k = 0.0000 0.3140-0.0000 ( 3962 PWs) bands (ev): -52.5997 -52.5997 -52.5142 -52.5142 -27.0393 -27.0393 -26.8972 -26.8972 -26.2554 -26.2554 -26.1651 -26.1651 -26.1129 -26.1129 -25.9727 -25.9727 2.6355 2.6355 3.5664 3.5664 7.0844 7.0844 7.5814 7.5814 8.0661 8.0661 8.8055 8.8055 9.1441 9.1441 9.6592 9.6592 10.0870 10.0870 10.4466 10.4466 10.5002 10.5002 10.8915 10.8915 10.9751 10.9751 11.8140 11.8140 11.8452 11.8452 12.3712 12.3712 12.6964 12.6964 k = 0.0000 0.3256-0.0000 ( 3958 PWs) bands (ev): -52.5973 -52.5973 -52.5165 -52.5165 -27.0347 -27.0347 -26.9004 -26.9004 -26.2480 -26.2480 -26.1645 -26.1645 -26.1155 -26.1155 -25.9810 -25.9810 2.7022 2.7022 3.5950 3.5950 7.0821 7.0821 7.4991 7.4991 8.0696 8.0696 8.8169 8.8169 9.1458 9.1458 9.6912 9.6912 10.0217 10.0217 10.4844 10.4844 10.4927 10.4927 10.8612 10.8612 10.9470 10.9470 11.8086 11.8086 11.8375 11.8375 12.4027 12.4027 12.6591 12.6591 k = 0.0000 0.3372-0.0000 ( 3958 PWs) bands (ev): -52.5949 -52.5949 -52.5190 -52.5190 -27.0300 -27.0300 -26.9037 -26.9037 -26.2403 -26.2403 -26.1639 -26.1639 -26.1181 -26.1181 -25.9894 -25.9894 2.7696 2.7696 3.6218 3.6218 7.0715 7.0715 7.4180 7.4180 8.0836 8.0836 8.8271 8.8271 9.1484 9.1484 9.7238 9.7238 9.9588 9.9588 10.4660 10.4660 10.5392 10.5392 10.8324 10.8324 10.9218 10.9218 11.7999 11.7999 11.8324 11.8324 12.4300 12.4300 12.6214 12.6214 k = 0.0000 0.3488-0.0000 ( 3962 PWs) bands (ev): -52.5924 -52.5924 -52.5215 -52.5215 -27.0253 -27.0253 -26.9071 -26.9071 -26.2325 -26.2325 -26.1633 -26.1633 -26.1207 -26.1207 -25.9980 -25.9980 2.8375 2.8375 3.6466 3.6466 7.0535 7.0535 7.3388 7.3388 8.1071 8.1071 8.8358 8.8358 9.1520 9.1520 9.7566 9.7566 9.8982 9.8982 10.4441 10.4441 10.5870 10.5870 10.8056 10.8056 10.8996 10.8996 11.7850 11.7850 11.8329 11.8329 12.4523 12.4523 12.5836 12.5836 k = 0.0000 0.3605-0.0000 ( 3972 PWs) bands (ev): -52.5898 -52.5898 -52.5240 -52.5240 -27.0205 -27.0205 -26.9107 -26.9107 -26.2245 -26.2245 -26.1626 -26.1626 -26.1232 -26.1232 -26.0067 -26.0067 2.9055 2.9055 3.6689 3.6689 7.0297 7.0297 7.2623 7.2623 8.1387 8.1387 8.8427 8.8427 9.1567 9.1567 9.7893 9.7893 9.8401 9.8401 10.4194 10.4194 10.6358 10.6358 10.7812 10.7812 10.8802 10.8802 11.7642 11.7642 11.8382 11.8382 12.4689 12.4689 12.5456 12.5456 k = 0.0000 0.3721-0.0000 ( 3970 PWs) bands (ev): -52.5872 -52.5872 -52.5266 -52.5266 -27.0156 -27.0156 -26.9143 -26.9143 -26.2163 -26.2163 -26.1617 -26.1617 -26.1257 -26.1257 -26.0156 -26.0156 2.9734 2.9734 3.6883 3.6883 7.0015 7.0015 7.1890 7.1890 8.1769 8.1769 8.8475 8.8475 9.1627 9.1627 9.7844 9.7844 9.8215 9.8215 10.3923 10.3923 10.6852 10.6852 10.7598 10.7598 10.8634 10.8634 11.7388 11.7388 11.8473 11.8473 12.4795 12.4795 12.5080 12.5080 k = 0.0000 0.3837-0.0000 ( 3962 PWs) bands (ev): -52.5846 -52.5846 -52.5292 -52.5292 -27.0107 -27.0107 -26.9181 -26.9181 -26.2081 -26.2081 -26.1608 -26.1608 -26.1282 -26.1282 -26.0245 -26.0245 3.0409 3.0409 3.7043 3.7043 6.9706 6.9706 7.1198 7.1198 8.2200 8.2200 8.8499 8.8499 9.1700 9.1700 9.7313 9.7313 9.8526 9.8526 10.3636 10.3636 10.7315 10.7315 10.7454 10.7454 10.8488 10.8488 11.7093 11.7093 11.8594 11.8594 12.4671 12.4671 12.4884 12.4884 k = 0.0000 0.3953-0.0000 ( 3966 PWs) bands (ev): -52.5819 -52.5819 -52.5318 -52.5318 -27.0058 -27.0058 -26.9220 -26.9220 -26.1997 -26.1997 -26.1598 -26.1598 -26.1306 -26.1306 -26.0336 -26.0336 3.1076 3.1076 3.7165 3.7165 6.9383 6.9383 7.0552 7.0552 8.2668 8.2668 8.8496 8.8496 9.1787 9.1787 9.6808 9.6808 9.8824 9.8824 10.3338 10.3338 10.7248 10.7248 10.7883 10.7883 10.8360 10.8360 11.6761 11.6761 11.8742 11.8742 12.4297 12.4297 12.4896 12.4896 k = 0.0000 0.4070-0.0000 ( 3964 PWs) bands (ev): -52.5792 -52.5792 -52.5345 -52.5345 -27.0008 -27.0008 -26.9260 -26.9260 -26.1912 -26.1912 -26.1587 -26.1587 -26.1329 -26.1329 -26.0427 -26.0427 3.1731 3.1731 3.7245 3.7245 6.9059 6.9059 6.9958 6.9958 8.3159 8.3159 8.8464 8.8464 9.1890 9.1890 9.6327 9.6327 9.9106 9.9106 10.3035 10.3035 10.7138 10.7138 10.8241 10.8241 10.8401 10.8401 11.6396 11.6396 11.8916 11.8916 12.3917 12.3917 12.4885 12.4885 k = 0.0000 0.4186-0.0000 ( 3974 PWs) bands (ev): -52.5765 -52.5765 -52.5372 -52.5372 -26.9959 -26.9959 -26.9302 -26.9302 -26.1827 -26.1827 -26.1574 -26.1574 -26.1352 -26.1352 -26.0519 -26.0519 3.2369 3.2369 3.7278 3.7278 6.8745 6.8745 6.9422 6.9422 8.3662 8.3662 8.8399 8.8399 9.2010 9.2010 9.5872 9.5872 9.9370 9.9370 10.2733 10.2733 10.7063 10.7063 10.8134 10.8134 10.8924 10.8924 11.6000 11.6000 11.9113 11.9113 12.3537 12.3537 12.4855 12.4855 k = 0.0000 0.4302-0.0000 ( 3978 PWs) bands (ev): -52.5737 -52.5737 -52.5400 -52.5400 -26.9909 -26.9909 -26.9344 -26.9344 -26.1742 -26.1742 -26.1558 -26.1558 -26.1374 -26.1374 -26.0612 -26.0612 3.2988 3.2988 3.7262 3.7262 6.8452 6.8452 6.8949 6.8949 8.4169 8.4169 8.8298 8.8298 9.2147 9.2147 9.5443 9.5443 9.9617 9.9617 10.2436 10.2436 10.7026 10.7026 10.8029 10.8029 10.9453 10.9453 11.5577 11.5577 11.9332 11.9332 12.3159 12.3159 12.4819 12.4819 k = 0.0000 0.4419-0.0000 ( 3978 PWs) bands (ev): -52.5709 -52.5709 -52.5428 -52.5428 -26.9860 -26.9860 -26.9387 -26.9387 -26.1663 -26.1663 -26.1537 -26.1537 -26.1396 -26.1396 -26.0705 -26.0705 3.3581 3.3581 3.7192 3.7192 6.8189 6.8189 6.8542 6.8542 8.4670 8.4670 8.8160 8.8160 9.2302 9.2302 9.5038 9.5038 9.9848 9.9848 10.2148 10.2148 10.7024 10.7024 10.7926 10.7926 10.9985 10.9985 11.5131 11.5131 11.9571 11.9571 12.2786 12.2786 12.4787 12.4787 k = 0.0000 0.4535-0.0000 ( 3970 PWs) bands (ev): -52.5681 -52.5681 -52.5455 -52.5455 -26.9810 -26.9810 -26.9431 -26.9431 -26.1598 -26.1598 -26.1499 -26.1499 -26.1415 -26.1415 -26.0798 -26.0798 3.4145 3.4145 3.7068 3.7068 6.7962 6.7962 6.8204 6.8204 8.5158 8.5158 8.7983 8.7983 9.2477 9.2477 9.4659 9.4659 10.0066 10.0066 10.1872 10.1872 10.7054 10.7054 10.7821 10.7821 11.0520 11.0520 11.4663 11.4663 11.9830 11.9830 12.2418 12.2418 12.4769 12.4769 k = 0.0000 0.4651-0.0000 ( 3970 PWs) bands (ev): -52.5653 -52.5653 -52.5483 -52.5483 -26.9761 -26.9761 -26.9477 -26.9477 -26.1559 -26.1559 -26.1449 -26.1449 -26.1420 -26.1420 -26.0891 -26.0891 3.4674 3.4674 3.6887 3.6887 6.7780 6.7780 6.7937 6.7937 8.5626 8.5626 8.7764 8.7764 9.2672 9.2672 9.4304 9.4304 10.0276 10.0276 10.1609 10.1609 10.7111 10.7111 10.7715 10.7715 11.1055 11.1055 11.4179 11.4179 12.0106 12.0106 12.2057 12.2057 12.4774 12.4774 k = 0.0000 0.4767-0.0000 ( 3968 PWs) bands (ev): -52.5625 -52.5625 -52.5512 -52.5512 -26.9712 -26.9712 -26.9522 -26.9522 -26.1535 -26.1535 -26.1459 -26.1459 -26.1346 -26.1346 -26.0984 -26.0984 3.5164 3.5164 3.6649 3.6649 6.7650 6.7650 6.7743 6.7743 8.6070 8.6070 8.7504 8.7504 9.2888 9.2888 9.3974 9.3974 10.0482 10.0482 10.1360 10.1360 10.7190 10.7190 10.7606 10.7606 11.1590 11.1590 11.3679 11.3679 12.0398 12.0398 12.1703 12.1703 12.4810 12.4810 k = 0.0000 0.4884-0.0000 ( 3968 PWs) bands (ev): -52.5597 -52.5597 -52.5540 -52.5540 -26.9664 -26.9664 -26.9569 -26.9569 -26.1515 -26.1515 -26.1478 -26.1478 -26.1259 -26.1259 -26.1076 -26.1076 3.5610 3.5610 3.6356 3.6356 6.7576 6.7576 6.7619 6.7619 8.6483 8.6483 8.7203 8.7203 9.3125 9.3125 9.3668 9.3668 10.0689 10.0689 10.1125 10.1125 10.7283 10.7283 10.7496 10.7496 11.2121 11.2121 11.3168 11.3168 12.0706 12.0706 12.1360 12.1360 12.4882 12.4882 k = 0.0000 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6009 3.6009 3.6009 3.6009 6.7564 6.7564 6.7564 6.7564 8.6862 8.6862 8.6862 8.6862 9.3385 9.3385 9.3385 9.3385 10.0902 10.0902 10.0902 10.0902 10.7387 10.7387 10.7387 10.7387 11.2648 11.2648 11.2648 11.2648 12.1027 12.1027 12.1027 12.1027 12.4994 12.4994 k = 0.0000 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6009 3.6009 3.6009 3.6009 6.7564 6.7564 6.7564 6.7564 8.6862 8.6862 8.6862 8.6862 9.3385 9.3385 9.3385 9.3385 10.0902 10.0902 10.0902 10.0902 10.7387 10.7387 10.7387 10.7387 11.2648 11.2648 11.2648 11.2648 12.1027 12.1027 12.1027 12.1027 12.4994 12.4994 k = 0.0116 0.5000-0.0000 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9618 -26.9618 -26.9617 -26.9617 -26.1517 -26.1517 -26.1505 -26.1505 -26.1158 -26.1158 -26.1147 -26.1147 3.6012 3.6012 3.6013 3.6013 6.7574 6.7574 6.7586 6.7586 8.6840 8.6840 8.6847 8.6847 9.3382 9.3382 9.3387 9.3387 10.0895 10.0895 10.0897 10.0897 10.7375 10.7375 10.7378 10.7378 11.2636 11.2636 11.2647 11.2647 12.1043 12.1043 12.1047 12.1047 12.5008 12.5010 k = 0.0233 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9621 -26.9621 -26.9620 -26.9620 -26.1558 -26.1558 -26.1538 -26.1538 -26.1121 -26.1121 -26.1103 -26.1103 3.6021 3.6021 3.6023 3.6023 6.7616 6.7616 6.7640 6.7640 8.6782 8.6782 8.6796 8.6796 9.3379 9.3379 9.3388 9.3388 10.0874 10.0874 10.0877 10.0877 10.7342 10.7342 10.7347 10.7347 11.2610 11.2610 11.2632 11.2632 12.1096 12.1096 12.1105 12.1105 12.5047 12.5049 k = 0.0349 0.5000-0.0000 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9627 -26.9627 -26.9624 -26.9624 -26.1611 -26.1611 -26.1587 -26.1587 -26.1068 -26.1068 -26.1046 -26.1046 3.6038 3.6038 3.6041 3.6041 6.7689 6.7689 6.7725 6.7725 8.6689 8.6689 8.6709 8.6709 9.3374 9.3374 9.3389 9.3389 10.0840 10.0840 10.0846 10.0846 10.7288 10.7288 10.7294 10.7294 11.2571 11.2571 11.2602 11.2602 12.1186 12.1186 12.1199 12.1199 12.5114 12.5116 k = 0.0465 0.5000-0.0000 ( 3978 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9634 -26.9634 -26.9631 -26.9631 -26.1668 -26.1668 -26.1642 -26.1642 -26.1006 -26.1006 -26.0982 -26.0982 3.6062 3.6062 3.6066 3.6066 6.7793 6.7793 6.7841 6.7841 8.6561 8.6561 8.6588 8.6588 9.3369 9.3369 9.3388 9.3388 10.0795 10.0795 10.0803 10.0803 10.7213 10.7213 10.7221 10.7221 11.2519 11.2519 11.2559 11.2559 12.1314 12.1314 12.1330 12.1330 12.5207 12.5213 k = 0.0581 0.5000-0.0000 ( 3974 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9644 -26.9644 -26.9640 -26.9640 -26.1728 -26.1728 -26.1700 -26.1700 -26.0938 -26.0938 -26.0915 -26.0915 3.6092 3.6092 3.6097 3.6097 6.7927 6.7927 6.7988 6.7988 8.6401 8.6401 8.6433 8.6433 9.3362 9.3362 9.3385 9.3385 10.0740 10.0740 10.0751 10.0751 10.7119 10.7119 10.7128 10.7128 11.2453 11.2453 11.2502 11.2502 12.1480 12.1480 12.1497 12.1497 12.5319 12.5323 k = 0.0698 0.5000-0.0000 ( 3978 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9655 -26.9655 -26.9650 -26.9650 -26.1788 -26.1788 -26.1760 -26.1760 -26.0868 -26.0868 -26.0845 -26.0845 3.6128 3.6128 3.6134 3.6134 6.8092 6.8092 6.8165 6.8165 8.6211 8.6211 8.6248 8.6248 9.3353 9.3353 9.3380 9.3380 10.0676 10.0676 10.0691 10.0691 10.7005 10.7005 10.7015 10.7015 11.2374 11.2374 11.2430 11.2430 12.1682 12.1682 12.1700 12.1700 12.5450 12.5459 k = 0.0814 0.5000-0.0000 ( 3978 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9668 -26.9668 -26.9662 -26.9662 -26.1849 -26.1849 -26.1819 -26.1819 -26.0797 -26.0797 -26.0773 -26.0773 3.6171 3.6171 3.6178 3.6178 6.8286 6.8286 6.8371 6.8371 8.5993 8.5993 8.6034 8.6034 9.3342 9.3342 9.3371 9.3371 10.0607 10.0607 10.0626 10.0626 10.6873 10.6873 10.6883 10.6883 11.2282 11.2282 11.2344 11.2344 12.1921 12.1921 12.1937 12.1937 12.5596 12.5610 k = 0.0930 0.5000-0.0000 ( 3986 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9683 -26.9683 -26.9677 -26.9677 -26.1908 -26.1908 -26.1878 -26.1878 -26.0724 -26.0724 -26.0701 -26.0701 3.6220 3.6220 3.6227 3.6227 6.8508 6.8508 6.8606 6.8606 8.5750 8.5750 8.5794 8.5794 9.3327 9.3327 9.3358 9.3358 10.0535 10.0535 10.0559 10.0559 10.6724 10.6724 10.6734 10.6734 11.2177 11.2177 11.2245 11.2245 12.2194 12.2194 12.2209 12.2209 12.5754 12.5761 k = 0.1047 0.5000-0.0000 ( 3990 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9700 -26.9700 -26.9693 -26.9693 -26.1966 -26.1966 -26.1936 -26.1936 -26.0651 -26.0651 -26.0628 -26.0628 3.6274 3.6274 3.6283 3.6283 6.8757 6.8757 6.8867 6.8867 8.5485 8.5485 8.5531 8.5531 9.3306 9.3306 9.3339 9.3339 10.0462 10.0462 10.0493 10.0493 10.6560 10.6560 10.6570 10.6570 11.2060 11.2060 11.2132 11.2132 12.2500 12.2500 12.2512 12.2512 12.5914 12.5918 k = 0.1163 0.5000-0.0000 ( 3986 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9718 -26.9718 -26.9710 -26.9710 -26.2023 -26.2023 -26.1993 -26.1993 -26.0577 -26.0577 -26.0555 -26.0555 3.6334 3.6334 3.6343 3.6343 6.9032 6.9032 6.9155 6.9155 8.5201 8.5201 8.5248 8.5248 9.3278 9.3278 9.3312 9.3312 10.0394 10.0394 10.0431 10.0431 10.6383 10.6383 10.6392 10.6392 11.1931 11.1931 11.2006 11.2006 12.2836 12.2836 12.2844 12.2844 12.6088 12.6096 k = 0.1279 0.5000-0.0000 ( 3986 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9737 -26.9737 -26.9729 -26.9729 -26.2078 -26.2078 -26.2048 -26.2048 -26.0503 -26.0503 -26.0481 -26.0481 3.6399 3.6399 3.6409 3.6409 6.9331 6.9331 6.9466 6.9466 8.4902 8.4902 8.4949 8.4949 9.3241 9.3241 9.3274 9.3274 10.0331 10.0331 10.0377 10.0377 10.6195 10.6195 10.6202 10.6202 11.1790 11.1790 11.1868 11.1868 12.3200 12.3200 12.3204 12.3204 12.6246 12.6260 k = 0.1395 0.5000-0.0000 ( 3994 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9758 -26.9758 -26.9750 -26.9750 -26.2132 -26.2132 -26.2102 -26.2102 -26.0430 -26.0430 -26.0409 -26.0409 3.6469 3.6469 3.6479 3.6479 6.9652 6.9652 6.9801 6.9801 8.4591 8.4591 8.4638 8.4638 9.3192 9.3192 9.3225 9.3225 10.0279 10.0279 10.0333 10.0333 10.5999 10.5999 10.6004 10.6004 11.1638 11.1638 11.1718 11.1718 12.3587 12.3587 12.3587 12.3587 12.6409 12.6423 k = 0.1512 0.5000-0.0000 ( 3986 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9780 -26.9780 -26.9771 -26.9771 -26.2184 -26.2184 -26.2154 -26.2154 -26.0357 -26.0357 -26.0336 -26.0336 3.6543 3.6543 3.6554 3.6554 6.9994 6.9994 7.0156 7.0156 8.4273 8.4273 8.4318 8.4318 9.3130 9.3130 9.3161 9.3161 10.0240 10.0240 10.0303 10.0303 10.5798 10.5798 10.5800 10.5800 11.1475 11.1475 11.1557 11.1557 12.3991 12.3991 12.3996 12.3996 12.6568 12.6572 k = 0.1628 0.5000-0.0000 ( 3988 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9804 -26.9804 -26.9794 -26.9794 -26.2235 -26.2235 -26.2205 -26.2205 -26.0284 -26.0284 -26.0265 -26.0265 3.6621 3.6621 3.6632 3.6632 7.0354 7.0354 7.0529 7.0529 8.3951 8.3951 8.3993 8.3993 9.3052 9.3052 9.3081 9.3081 10.0216 10.0216 10.0289 10.0289 10.5592 10.5592 10.5593 10.5593 11.1302 11.1302 11.1385 11.1385 12.4411 12.4411 12.4421 12.4421 12.6718 12.6726 k = 0.1744 0.5000-0.0000 ( 3988 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9828 -26.9828 -26.9818 -26.9818 -26.2283 -26.2283 -26.2254 -26.2254 -26.0213 -26.0213 -26.0194 -26.0194 3.6702 3.6702 3.6714 3.6714 7.0730 7.0730 7.0918 7.0918 8.3628 8.3628 8.3666 8.3666 9.2957 9.2957 9.2984 9.2984 10.0210 10.0210 10.0294 10.0294 10.5384 10.5384 10.5388 10.5388 11.1120 11.1120 11.1205 11.1205 12.4843 12.4843 12.4859 12.4859 12.6864 12.6869 k = 0.1860 0.5000-0.0000 ( 3992 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9853 -26.9853 -26.9843 -26.9843 -26.2330 -26.2330 -26.2301 -26.2301 -26.0143 -26.0143 -26.0124 -26.0124 3.6787 3.6787 3.6799 3.6799 7.1119 7.1119 7.1321 7.1321 8.3309 8.3309 8.3341 8.3341 9.2845 9.2845 9.2868 9.2868 10.0224 10.0224 10.0319 10.0319 10.5179 10.5179 10.5187 10.5187 11.0930 11.0930 11.1015 11.1015 12.5281 12.5281 12.5305 12.5305 12.6995 12.7000 k = 0.1977 0.5000-0.0000 ( 3992 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9879 -26.9879 -26.9868 -26.9868 -26.2375 -26.2375 -26.2347 -26.2347 -26.0073 -26.0073 -26.0056 -26.0056 3.6874 3.6874 3.6886 3.6886 7.1518 7.1518 7.1733 7.1733 8.2998 8.2998 8.3023 8.3023 9.2714 9.2714 9.2733 9.2733 10.0258 10.0258 10.0364 10.0364 10.4978 10.4978 10.4991 10.4991 11.0733 11.0733 11.0819 11.0819 12.5718 12.5718 12.5750 12.5750 12.7124 12.7124 k = 0.2093 0.5000-0.0000 ( 3984 PWs) bands (ev): -52.5564 -52.5564 -52.5564 -52.5564 -26.9905 -26.9905 -26.9895 -26.9895 -26.2418 -26.2418 -26.2390 -26.2390 -26.0005 -26.0005 -25.9988 -25.9988 3.6963 3.6963 3.6975 3.6975 7.1922 7.1922 7.2151 7.2151 8.2698 8.2698 8.2716 8.2716 9.2564 9.2564 9.2580 9.2580 10.0312 10.0312 10.0429 10.0429 10.4786 10.4786 10.4803 10.4803 11.0530 11.0530 11.0617 11.0617 12.6140 12.6140 12.6183 12.6183 12.7250 12.7253 k = 0.2209 0.5000-0.0000 ( 3980 PWs) bands (ev): -52.5564 -52.5564 -52.5564 -52.5564 -26.9932 -26.9932 -26.9921 -26.9921 -26.2459 -26.2459 -26.2432 -26.2432 -25.9939 -25.9939 -25.9922 -25.9922 3.7053 3.7053 3.7065 3.7065 7.2329 7.2329 7.2571 7.2571 8.2414 8.2414 8.2423 8.2423 9.2397 9.2397 9.2408 9.2408 10.0385 10.0385 10.0512 10.0512 10.4604 10.4604 10.4628 10.4628 11.0322 11.0322 11.0410 11.0410 12.6518 12.6518 12.6576 12.6576 12.7403 12.7408 k = 0.2326 0.5000-0.0000 ( 3980 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -26.9959 -26.9959 -26.9948 -26.9948 -26.2498 -26.2498 -26.2471 -26.2471 -25.9874 -25.9874 -25.9858 -25.9858 3.7145 3.7145 3.7157 3.7157 7.2732 7.2732 7.2987 7.2987 8.2149 8.2149 8.2151 8.2151 9.2212 9.2212 9.2220 9.2220 10.0476 10.0476 10.0614 10.0614 10.4437 10.4437 10.4466 10.4466 11.0110 11.0110 11.0200 11.0200 12.6805 12.6805 12.6876 12.6876 12.7620 12.7625 k = 0.2442 0.5000-0.0000 ( 3984 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -26.9986 -26.9986 -26.9975 -26.9975 -26.2535 -26.2535 -26.2509 -26.2509 -25.9810 -25.9810 -25.9796 -25.9796 3.7237 3.7237 3.7249 3.7249 7.3126 7.3126 7.3395 7.3395 8.1900 8.1900 8.1913 8.1913 9.2012 9.2012 9.2016 9.2016 10.0582 10.0582 10.0730 10.0730 10.4285 10.4285 10.4321 10.4321 10.9896 10.9896 10.9988 10.9988 12.6975 12.6975 12.7045 12.7045 12.7948 12.7953 k = 0.2558 0.5000-0.0000 ( 3984 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -27.0013 -27.0013 -27.0003 -27.0003 -26.2571 -26.2571 -26.2546 -26.2546 -25.9749 -25.9749 -25.9735 -25.9735 3.7329 3.7329 3.7341 3.7341 7.3506 7.3506 7.3788 7.3788 8.1682 8.1682 8.1706 8.1706 9.1798 9.1798 9.1798 9.1798 10.0702 10.0702 10.0858 10.0858 10.4153 10.4153 10.4196 10.4196 10.9682 10.9682 10.9775 10.9775 12.7054 12.7054 12.7118 12.7118 12.8342 12.8345 k = 0.2674 0.5000-0.0000 ( 3972 PWs) bands (ev): -52.5562 -52.5562 -52.5562 -52.5562 -27.0040 -27.0040 -27.0030 -27.0030 -26.2604 -26.2604 -26.2580 -26.2580 -25.9690 -25.9690 -25.9676 -25.9676 3.7420 3.7420 3.7432 3.7432 7.3865 7.3865 7.4158 7.4158 8.1499 8.1499 8.1535 8.1535 9.1568 9.1568 9.1571 9.1571 10.0832 10.0832 10.0995 10.0995 10.4043 10.4043 10.4092 10.4092 10.9468 10.9468 10.9563 10.9563 12.7079 12.7079 12.7139 12.7139 12.8758 12.8761 k = 0.2791 0.5000-0.0000 ( 3972 PWs) bands (ev): -52.5562 -52.5562 -52.5562 -52.5562 -27.0067 -27.0067 -27.0057 -27.0057 -26.2636 -26.2636 -26.2612 -26.2612 -25.9632 -25.9632 -25.9620 -25.9620 3.7511 3.7511 3.7522 3.7522 7.4195 7.4195 7.4498 7.4498 8.1360 8.1360 8.1407 8.1407 9.1327 9.1327 9.1334 9.1334 10.0969 10.0969 10.1138 10.1138 10.3956 10.3956 10.4013 10.4013 10.9255 10.9255 10.9353 10.9353 12.7067 12.7067 12.7124 12.7124 12.9175 12.9177 k = 0.2907 0.5000-0.0000 ( 3970 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0093 -27.0093 -27.0083 -27.0083 -26.2665 -26.2665 -26.2643 -26.2643 -25.9577 -25.9577 -25.9565 -25.9565 3.7600 3.7600 3.7611 3.7611 7.4490 7.4490 7.4800 7.4800 8.1269 8.1269 8.1327 8.1327 9.1078 9.1078 9.1087 9.1087 10.1110 10.1110 10.1283 10.1283 10.3897 10.3897 10.3960 10.3960 10.9045 10.9045 10.9146 10.9146 12.7027 12.7027 12.7083 12.7083 12.9580 12.9581 k = 0.3023 0.5000-0.0000 ( 3962 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0119 -27.0119 -27.0109 -27.0109 -26.2693 -26.2693 -26.2672 -26.2672 -25.9524 -25.9524 -25.9513 -25.9513 3.7687 3.7687 3.7697 3.7697 7.4745 7.4745 7.5057 7.5057 8.1234 8.1234 8.1299 8.1299 9.0821 9.0821 9.0834 9.0834 10.1251 10.1251 10.1425 10.1425 10.3866 10.3866 10.3934 10.3934 10.8838 10.8838 10.8943 10.8943 12.6964 12.6964 12.7020 12.7020 12.9969 12.9971 k = 0.3140 0.5000-0.0000 ( 3970 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0144 -27.0144 -27.0135 -27.0135 -26.2719 -26.2719 -26.2699 -26.2699 -25.9474 -25.9474 -25.9464 -25.9464 3.7771 3.7771 3.7782 3.7782 7.4954 7.4954 7.5264 7.5264 8.1256 8.1256 8.1326 8.1326 9.0559 9.0559 9.0574 9.0574 10.1391 10.1391 10.1563 10.1563 10.3864 10.3864 10.3937 10.3937 10.8637 10.8637 10.8745 10.8745 12.6881 12.6881 12.6937 12.6937 13.0335 13.0335 k = 0.3256 0.5000-0.0000 ( 3970 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0168 -27.0168 -27.0159 -27.0159 -26.2744 -26.2744 -26.2724 -26.2724 -25.9426 -25.9426 -25.9417 -25.9417 3.7853 3.7853 3.7863 3.7863 7.5116 7.5116 7.5419 7.5419 8.1337 8.1337 8.1408 8.1408 9.0293 9.0293 9.0311 9.0311 10.1527 10.1527 10.1693 10.1693 10.3892 10.3892 10.3968 10.3968 10.8440 10.8440 10.8553 10.8553 12.6782 12.6782 12.6837 12.6837 13.0682 13.0684 k = 0.3372 0.5000-0.0000 ( 3966 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0191 -27.0191 -27.0183 -27.0183 -26.2766 -26.2766 -26.2748 -26.2748 -25.9381 -25.9381 -25.9372 -25.9372 3.7932 3.7932 3.7941 3.7941 7.5233 7.5233 7.5525 7.5525 8.1473 8.1473 8.1542 8.1542 9.0023 9.0023 9.0044 9.0044 10.1657 10.1657 10.1815 10.1815 10.3950 10.3950 10.4027 10.4027 10.8250 10.8250 10.8367 10.8367 12.6669 12.6669 12.6723 12.6723 13.1000 13.1006 k = 0.3488 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0213 -27.0213 -27.0205 -27.0205 -26.2787 -26.2787 -26.2770 -26.2770 -25.9339 -25.9339 -25.9330 -25.9330 3.8007 3.8007 3.8015 3.8015 7.5310 7.5310 7.5585 7.5585 8.1658 8.1658 8.1722 8.1722 8.9753 8.9753 8.9775 8.9775 10.1780 10.1780 10.1927 10.1927 10.4033 10.4033 10.4111 10.4111 10.8066 10.8066 10.8188 10.8188 12.6545 12.6545 12.6598 12.6598 13.1296 13.1300 k = 0.3605 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0234 -27.0234 -27.0227 -27.0227 -26.2806 -26.2806 -26.2790 -26.2790 -25.9299 -25.9299 -25.9291 -25.9291 3.8077 3.8077 3.8085 3.8085 7.5351 7.5351 7.5608 7.5608 8.1882 8.1882 8.1940 8.1940 8.9481 8.9481 8.9506 8.9506 10.1897 10.1897 10.2031 10.2031 10.4139 10.4139 10.4218 10.4218 10.7888 10.7888 10.8016 10.8016 12.6413 12.6413 12.6465 12.6465 13.1562 13.1567 k = 0.3721 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0254 -27.0254 -27.0247 -27.0247 -26.2823 -26.2823 -26.2809 -26.2809 -25.9262 -25.9262 -25.9255 -25.9255 3.8144 3.8144 3.8151 3.8151 7.5365 7.5365 7.5602 7.5602 8.2135 8.2135 8.2187 8.2187 8.9211 8.9211 8.9237 8.9237 10.2008 10.2008 10.2127 10.2127 10.4264 10.4264 10.4344 10.4344 10.7717 10.7717 10.7851 10.7851 12.6276 12.6276 12.6326 12.6326 13.1802 13.1807 k = 0.3837 0.5000-0.0000 ( 3964 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0272 -27.0272 -27.0265 -27.0265 -26.2839 -26.2839 -26.2826 -26.2826 -25.9228 -25.9228 -25.9222 -25.9222 3.8206 3.8206 3.8212 3.8212 7.5359 7.5359 7.5574 7.5574 8.2410 8.2410 8.2455 8.2455 8.8942 8.8942 8.8969 8.8969 10.2113 10.2113 10.2217 10.2217 10.4404 10.4404 10.4486 10.4486 10.7552 10.7552 10.7693 10.7693 12.6138 12.6138 12.6185 12.6185 13.2016 13.2023 k = 0.3953 0.5000-0.0000 ( 3962 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0289 -27.0289 -27.0283 -27.0283 -26.2853 -26.2853 -26.2841 -26.2841 -25.9197 -25.9197 -25.9192 -25.9192 3.8262 3.8262 3.8268 3.8268 7.5339 7.5339 7.5531 7.5531 8.2696 8.2696 8.2735 8.2735 8.8676 8.8676 8.8704 8.8704 10.2211 10.2211 10.2301 10.2301 10.4554 10.4554 10.4640 10.4640 10.7393 10.7393 10.7540 10.7540 12.6001 12.6001 12.6044 12.6044 13.2205 13.2209 k = 0.4070 0.5000-0.0000 ( 3962 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0304 -27.0304 -27.0298 -27.0298 -26.2866 -26.2866 -26.2855 -26.2855 -25.9170 -25.9170 -25.9165 -25.9165 3.8314 3.8314 3.8319 3.8319 7.5310 7.5310 7.5480 7.5480 8.2988 8.2988 8.3022 8.3022 8.8414 8.8414 8.8443 8.8443 10.2303 10.2303 10.2379 10.2379 10.4711 10.4711 10.4803 10.4803 10.7239 10.7239 10.7393 10.7393 12.5868 12.5868 12.5908 12.5908 13.2366 13.2372 k = 0.4186 0.5000-0.0000 ( 3956 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0317 -27.0317 -27.0313 -27.0313 -26.2877 -26.2877 -26.2867 -26.2867 -25.9145 -25.9145 -25.9140 -25.9140 3.8360 3.8360 3.8365 3.8365 7.5277 7.5277 7.5426 7.5426 8.3278 8.3278 8.3308 8.3308 8.8158 8.8158 8.8187 8.8187 10.2387 10.2387 10.2451 10.2451 10.4872 10.4872 10.4972 10.4972 10.7090 10.7090 10.7249 10.7249 12.5743 12.5743 12.5779 12.5779 13.2508 13.2512 k = 0.4302 0.5000-0.0000 ( 3952 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0329 -27.0329 -27.0325 -27.0325 -26.2886 -26.2886 -26.2878 -26.2878 -25.9123 -25.9123 -25.9120 -25.9120 3.8400 3.8400 3.8404 3.8404 7.5244 7.5244 7.5371 7.5371 8.3560 8.3560 8.3588 8.3588 8.7911 8.7911 8.7939 8.7939 10.2464 10.2464 10.2516 10.2516 10.5036 10.5036 10.5145 10.5145 10.6944 10.6944 10.7107 10.7107 12.5628 12.5628 12.5660 12.5660 13.2625 13.2629 k = 0.4419 0.5000-0.0000 ( 3956 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0339 -27.0339 -27.0336 -27.0336 -26.2894 -26.2894 -26.2887 -26.2887 -25.9105 -25.9105 -25.9102 -25.9102 3.8435 3.8435 3.8438 3.8438 7.5214 7.5214 7.5319 7.5319 8.3830 8.3830 8.3854 8.3854 8.7675 8.7675 8.7703 8.7703 10.2531 10.2531 10.2573 10.2573 10.5200 10.5200 10.5317 10.5317 10.6801 10.6801 10.6967 10.6967 12.5526 12.5526 12.5553 12.5553 13.2725 13.2727 k = 0.4535 0.5000-0.0000 ( 3952 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0347 -27.0347 -27.0345 -27.0345 -26.2900 -26.2900 -26.2894 -26.2894 -25.9090 -25.9090 -25.9087 -25.9087 3.8463 3.8463 3.8466 3.8466 7.5189 7.5189 7.5273 7.5273 8.4078 8.4078 8.4100 8.4100 8.7457 8.7457 8.7483 8.7483 10.2589 10.2589 10.2621 10.2621 10.5362 10.5362 10.5488 10.5488 10.6660 10.6660 10.6827 10.6827 12.5440 12.5440 12.5462 12.5462 13.2800 13.2804 k = 0.4651 0.5000-0.0000 ( 3952 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0354 -27.0354 -27.0352 -27.0352 -26.2904 -26.2904 -26.2900 -26.2900 -25.9078 -25.9078 -25.9076 -25.9076 3.8485 3.8485 3.8487 3.8487 7.5170 7.5170 7.5232 7.5232 8.4298 8.4298 8.4316 8.4316 8.7265 8.7265 8.7287 8.7287 10.2635 10.2635 10.2659 10.2659 10.5521 10.5521 10.5653 10.5653 10.6523 10.6523 10.6687 10.6687 12.5372 12.5372 12.5388 12.5388 13.2860 13.2862 k = 0.4767 0.5000-0.0000 ( 3960 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0358 -27.0358 -27.0357 -27.0357 -26.2908 -26.2908 -26.2905 -26.2905 -25.9069 -25.9069 -25.9068 -25.9068 3.8502 3.8502 3.8503 3.8503 7.5158 7.5158 7.5200 7.5200 8.4474 8.4474 8.4488 8.4488 8.7110 8.7110 8.7127 8.7127 10.2670 10.2670 10.2685 10.2685 10.5673 10.5673 10.5803 10.5803 10.6396 10.6396 10.6548 10.6548 12.5322 12.5322 12.5334 12.5334 13.2901 13.2904 k = 0.4884 0.5000-0.0000 ( 3964 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0360 -27.0360 -26.2909 -26.2909 -26.2908 -26.2908 -25.9064 -25.9064 -25.9064 -25.9064 3.8511 3.8511 3.8512 3.8512 7.5155 7.5155 7.5176 7.5176 8.4593 8.4593 8.4600 8.4600 8.7009 8.7009 8.7018 8.7018 10.2692 10.2692 10.2700 10.2700 10.5813 10.5813 10.5913 10.5913 10.6303 10.6303 10.6414 10.6414 12.5293 12.5293 12.5299 12.5299 13.2927 13.2928 k = 0.5000 0.5000-0.0000 ( 3960 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8515 3.8515 3.8515 3.8515 7.5161 7.5161 7.5161 7.5161 8.4637 8.4637 8.4637 8.4637 8.6976 8.6976 8.6976 8.6976 10.2702 10.2702 10.2702 10.2702 10.5915 10.5915 10.5915 10.5915 10.6311 10.6311 10.6311 10.6311 12.5286 12.5286 12.5286 12.5286 13.2935 13.2935 k = 0.5000 0.5000-0.0000 ( 3960 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8515 3.8515 3.8515 3.8515 7.5161 7.5161 7.5161 7.5161 8.4637 8.4637 8.4637 8.4637 8.6976 8.6976 8.6976 8.6976 10.2702 10.2702 10.2702 10.2702 10.5915 10.5915 10.5915 10.5915 10.6311 10.6311 10.6311 10.6311 12.5286 12.5286 12.5286 12.5286 13.2935 13.2935 k = 0.4918 0.4918-0.0000 ( 3962 PWs) bands (ev): -52.5558 -52.5558 -52.5557 -52.5557 -27.0361 -27.0361 -27.0359 -27.0359 -26.2909 -26.2909 -26.2908 -26.2908 -25.9065 -25.9065 -25.9062 -25.9062 3.8505 3.8505 3.8518 3.8518 7.5153 7.5153 7.5178 7.5178 8.4563 8.4563 8.4632 8.4632 8.6977 8.6977 8.7049 8.7049 10.2686 10.2686 10.2706 10.2706 10.5803 10.5803 10.5931 10.5931 10.6283 10.6283 10.6426 10.6426 12.5293 12.5293 12.5300 12.5300 13.2920 13.2924 k = 0.4836 0.4836-0.0000 ( 3960 PWs) bands (ev): -52.5560 -52.5560 -52.5555 -52.5555 -27.0362 -27.0362 -27.0353 -27.0353 -26.2908 -26.2908 -26.2904 -26.2904 -25.9074 -25.9074 -25.9063 -25.9063 3.8475 3.8475 3.8529 3.8529 7.5144 7.5144 7.5215 7.5215 8.4364 8.4364 8.4614 8.4614 8.6979 8.6979 8.7241 8.7241 10.2641 10.2641 10.2714 10.2714 10.5634 10.5634 10.5880 10.5880 10.6310 10.6310 10.6596 10.6596 12.5318 12.5318 12.5337 12.5337 13.2873 13.2873 k = 0.4754 0.4754-0.0000 ( 3956 PWs) bands (ev): -52.5562 -52.5562 -52.5553 -52.5553 -27.0362 -27.0362 -27.0343 -27.0343 -26.2907 -26.2907 -26.2898 -26.2898 -25.9090 -25.9090 -25.9064 -25.9064 3.8426 3.8426 3.8546 3.8546 7.5130 7.5130 7.5274 7.5274 8.4086 8.4086 8.4585 8.4585 8.6983 8.6983 8.7509 8.7509 10.2567 10.2567 10.2727 10.2727 10.5451 10.5451 10.5785 10.5785 10.6367 10.6367 10.6781 10.6781 12.5362 12.5362 12.5399 12.5399 13.2795 13.2796 k = 0.4672 0.4672-0.0000 ( 3952 PWs) bands (ev): -52.5566 -52.5566 -52.5549 -52.5549 -27.0363 -27.0363 -27.0330 -27.0330 -26.2905 -26.2905 -26.2890 -26.2890 -25.9111 -25.9111 -25.9066 -25.9066 3.8355 3.8355 3.8570 3.8570 7.5113 7.5113 7.5356 7.5356 8.3765 8.3765 8.4542 8.4542 8.6988 8.6988 8.7818 8.7818 10.2466 10.2466 10.2744 10.2744 10.5270 10.5270 10.5651 10.5651 10.6451 10.6451 10.6964 10.6964 12.5422 12.5422 12.5482 12.5482 13.2686 13.2687 k = 0.4590 0.4590-0.0000 ( 3954 PWs) bands (ev): -52.5571 -52.5571 -52.5545 -52.5545 -27.0363 -27.0363 -27.0312 -27.0312 -26.2902 -26.2902 -26.2879 -26.2879 -25.9138 -25.9138 -25.9068 -25.9068 3.8264 3.8264 3.8599 3.8599 7.5093 7.5093 7.5462 7.5462 8.3424 8.3424 8.4485 8.4485 8.6995 8.6995 8.8144 8.8144 10.2340 10.2340 10.2764 10.2764 10.5100 10.5100 10.5482 10.5482 10.6562 10.6562 10.7139 10.7139 12.5499 12.5499 12.5587 12.5587 13.2547 13.2547 k = 0.4508 0.4508-0.0000 ( 3944 PWs) bands (ev): -52.5576 -52.5576 -52.5539 -52.5539 -27.0364 -27.0364 -27.0291 -27.0291 -26.2898 -26.2898 -26.2866 -26.2866 -25.9171 -25.9171 -25.9070 -25.9070 3.8152 3.8152 3.8632 3.8632 7.5072 7.5072 7.5590 7.5590 8.3076 8.3076 8.4412 8.4412 8.7003 8.7003 8.8475 8.8475 10.2192 10.2192 10.2786 10.2786 10.4944 10.4944 10.5281 10.5281 10.6701 10.6701 10.7300 10.7300 12.5594 12.5594 12.5708 12.5708 13.2376 13.2377 k = 0.4426 0.4426-0.0000 ( 3957 PWs) bands (ev): -52.5583 -52.5583 -52.5533 -52.5533 -27.0365 -27.0365 -27.0266 -27.0266 -26.2894 -26.2894 -26.2850 -26.2850 -25.9209 -25.9209 -25.9073 -25.9073 3.8017 3.8017 3.8669 3.8669 7.5051 7.5051 7.5740 7.5740 8.2731 8.2731 8.4323 8.4323 8.7014 8.7014 8.8803 8.8803 10.2025 10.2025 10.2808 10.2808 10.4805 10.4805 10.5053 10.5053 10.6871 10.6871 10.7445 10.7445 12.5705 12.5705 12.5844 12.5844 13.2176 13.2176 k = 0.4344 0.4344-0.0000 ( 3957 PWs) bands (ev): -52.5591 -52.5591 -52.5526 -52.5526 -27.0366 -27.0366 -27.0238 -27.0238 -26.2890 -26.2890 -26.2832 -26.2832 -25.9253 -25.9253 -25.9076 -25.9076 3.7860 3.7860 3.8708 3.8708 7.5032 7.5032 7.5911 7.5911 8.2396 8.2396 8.4215 8.4215 8.7026 8.7026 8.9121 8.9121 10.1842 10.1842 10.2830 10.2830 10.4671 10.4671 10.4816 10.4816 10.7071 10.7071 10.7572 10.7572 12.5832 12.5832 12.5991 12.5991 13.1945 13.1945 k = 0.4262 0.4262-0.0000 ( 3953 PWs) bands (ev): -52.5599 -52.5599 -52.5518 -52.5518 -27.0368 -27.0368 -27.0207 -27.0207 -26.2885 -26.2885 -26.2812 -26.2812 -25.9303 -25.9303 -25.9080 -25.9080 3.7679 3.7679 3.8747 3.8747 7.5017 7.5017 7.6104 7.6104 8.2076 8.2076 8.4086 8.4086 8.7041 8.7041 8.9427 8.9427 10.1646 10.1646 10.2851 10.2851 10.4462 10.4462 10.4658 10.4658 10.7304 10.7304 10.7680 10.7680 12.5975 12.5975 12.6144 12.6144 13.1686 13.1686 k = 0.4180 0.4180-0.0000 ( 3959 PWs) bands (ev): -52.5609 -52.5609 -52.5508 -52.5508 -27.0370 -27.0370 -27.0172 -27.0172 -26.2879 -26.2879 -26.2788 -26.2788 -25.9357 -25.9357 -25.9084 -25.9084 3.7474 3.7474 3.8785 3.8785 7.5008 7.5008 7.6318 7.6318 8.1777 8.1777 8.3936 8.3936 8.7058 8.7058 8.9715 8.9715 10.1441 10.1441 10.2872 10.2872 10.4172 10.4172 10.4589 10.4589 10.7564 10.7564 10.7771 10.7771 12.6134 12.6134 12.6297 12.6297 13.1398 13.1398 k = 0.4098 0.4098-0.0000 ( 3959 PWs) bands (ev): -52.5620 -52.5620 -52.5498 -52.5498 -27.0372 -27.0372 -27.0135 -27.0135 -26.2873 -26.2873 -26.2763 -26.2763 -25.9417 -25.9417 -25.9088 -25.9088 3.7244 3.7244 3.8821 3.8821 7.5008 7.5008 7.6551 7.6551 8.1502 8.1502 8.3764 8.3764 8.7077 8.7077 8.9982 8.9982 10.1230 10.1230 10.2891 10.2891 10.3855 10.3855 10.4563 10.4563 10.7783 10.7783 10.7913 10.7913 12.6307 12.6307 12.6446 12.6446 13.1083 13.1083 k = 0.4016 0.4016-0.0000 ( 3971 PWs) bands (ev): -52.5631 -52.5631 -52.5488 -52.5488 -27.0375 -27.0375 -27.0095 -27.0095 -26.2867 -26.2867 -26.2734 -26.2734 -25.9481 -25.9481 -25.9093 -25.9093 3.6988 3.6988 3.8852 3.8852 7.5018 7.5018 7.6803 7.6803 8.1256 8.1256 8.3567 8.3567 8.7100 8.7100 9.0227 9.0227 10.1018 10.1018 10.2909 10.2909 10.3524 10.3524 10.4572 10.4572 10.7842 10.7842 10.8227 10.8227 12.6492 12.6492 12.6586 12.6586 13.0742 13.0742 k = 0.3934 0.3934-0.0000 ( 3975 PWs) bands (ev): -52.5643 -52.5643 -52.5476 -52.5476 -27.0377 -27.0377 -27.0052 -27.0052 -26.2861 -26.2861 -26.2703 -26.2703 -25.9549 -25.9549 -25.9097 -25.9097 3.6707 3.6707 3.8876 3.8876 7.5040 7.5040 7.7073 7.7073 8.1042 8.1042 8.3345 8.3345 8.7125 8.7125 9.0446 9.0446 10.0809 10.0809 10.2927 10.2927 10.3184 10.3184 10.4615 10.4615 10.7858 10.7858 10.8593 10.8593 12.6670 12.6670 12.6728 12.6728 13.0378 13.0378 k = 0.3852 0.3852-0.0000 ( 3979 PWs) bands (ev): -52.5657 -52.5657 -52.5464 -52.5464 -27.0381 -27.0381 -27.0008 -27.0008 -26.2854 -26.2854 -26.2669 -26.2669 -25.9621 -25.9621 -25.9102 -25.9102 3.6399 3.6399 3.8892 3.8892 7.5077 7.5077 7.7361 7.7361 8.0864 8.0864 8.3098 8.3098 8.7154 8.7154 9.0637 9.0637 10.0608 10.0608 10.2840 10.2840 10.2947 10.2947 10.4690 10.4690 10.7847 10.7847 10.8996 10.8996 12.6780 12.6780 12.6923 12.6923 12.9994 12.9994 k = 0.3770 0.3770-0.0000 ( 3971 PWs) bands (ev): -52.5670 -52.5670 -52.5450 -52.5450 -27.0385 -27.0385 -26.9961 -26.9961 -26.2847 -26.2847 -26.2633 -26.2633 -25.9697 -25.9697 -25.9107 -25.9107 3.6064 3.6064 3.8897 3.8897 7.5131 7.5131 7.7665 7.7665 8.0726 8.0726 8.2825 8.2825 8.7186 8.7186 9.0796 9.0796 10.0419 10.0419 10.2497 10.2497 10.2968 10.2968 10.4798 10.4798 10.7811 10.7811 10.9432 10.9432 12.6843 12.6843 12.7141 12.7141 12.9594 12.9594 k = 0.3689 0.3689-0.0000 ( 3971 PWs) bands (ev): -52.5685 -52.5685 -52.5436 -52.5436 -27.0389 -27.0389 -26.9913 -26.9913 -26.2840 -26.2840 -26.2594 -26.2594 -25.9777 -25.9777 -25.9112 -25.9112 3.5703 3.5703 3.8889 3.8889 7.5202 7.5202 7.7984 7.7984 8.0631 8.0631 8.2525 8.2525 8.7223 8.7223 9.0922 9.0922 10.0247 10.0247 10.2159 10.2159 10.2993 10.2993 10.4936 10.4936 10.7751 10.7751 10.9901 10.9901 12.6865 12.6865 12.7359 12.7359 12.9189 12.9189 k = 0.3607 0.3607-0.0000 ( 3969 PWs) bands (ev): -52.5700 -52.5700 -52.5422 -52.5422 -27.0394 -27.0394 -26.9863 -26.9863 -26.2833 -26.2833 -26.2552 -26.2552 -25.9859 -25.9859 -25.9117 -25.9117 3.5315 3.5315 3.8868 3.8868 7.5293 7.5293 7.8317 7.8317 8.0581 8.0581 8.2199 8.2199 8.7263 8.7263 9.1011 9.1011 10.0095 10.0095 10.1831 10.1831 10.3024 10.3024 10.5102 10.5102 10.7667 10.7667 11.0402 11.0402 12.6843 12.6843 12.7551 12.7551 12.8807 12.8807 k = 0.3525 0.3525-0.0000 ( 3977 PWs) bands (ev): -52.5716 -52.5716 -52.5406 -52.5406 -27.0400 -27.0400 -26.9812 -26.9812 -26.2826 -26.2826 -26.2508 -26.2508 -25.9944 -25.9944 -25.9121 -25.9121 3.4901 3.4901 3.8830 3.8830 7.5405 7.5405 7.8663 7.8663 8.0580 8.0580 8.1848 8.1848 8.7308 8.7308 9.1062 9.1062 9.9968 9.9968 10.1516 10.1516 10.3061 10.3061 10.5293 10.5293 10.7560 10.7560 11.0932 11.0932 12.6774 12.6774 12.7619 12.7619 12.8544 12.8544 k = 0.3443 0.3443-0.0000 ( 3973 PWs) bands (ev): -52.5733 -52.5733 -52.5391 -52.5391 -27.0406 -27.0406 -26.9760 -26.9760 -26.2820 -26.2820 -26.2461 -26.2461 -26.0031 -26.0031 -25.9126 -25.9126 3.4463 3.4463 3.8775 3.8775 7.5538 7.5538 7.9020 7.9020 8.0629 8.0629 8.1472 8.1472 8.7357 8.7357 9.1073 9.1073 9.9870 9.9870 10.1219 10.1219 10.3106 10.3106 10.5507 10.5507 10.7430 10.7430 11.1491 11.1491 12.6660 12.6660 12.7409 12.7409 12.8558 12.8558 k = 0.3361 0.3361-0.0000 ( 3977 PWs) bands (ev): -52.5750 -52.5750 -52.5374 -52.5374 -27.0413 -27.0413 -26.9708 -26.9708 -26.2814 -26.2814 -26.2411 -26.2411 -26.0120 -26.0120 -25.9130 -25.9130 3.4000 3.4000 3.8701 3.8701 7.5693 7.5693 7.9387 7.9387 8.0731 8.0731 8.1075 8.1075 8.7411 8.7411 9.1042 9.1042 9.9803 9.9803 10.0943 10.0943 10.3161 10.3161 10.5742 10.5742 10.7280 10.7280 11.2078 11.2078 12.6503 12.6503 12.7006 12.7006 12.8764 12.8764 k = 0.3279 0.3279-0.0000 ( 3973 PWs) bands (ev): -52.5768 -52.5768 -52.5357 -52.5357 -27.0421 -27.0421 -26.9655 -26.9655 -26.2808 -26.2808 -26.2358 -26.2358 -26.0211 -26.0211 -25.9134 -25.9134 3.3514 3.3514 3.8608 3.8608 7.5869 7.5869 7.9756 7.9756 8.0662 8.0662 8.0888 8.0888 8.7471 8.7471 9.0969 9.0969 9.9770 9.9770 10.0690 10.0690 10.3227 10.3227 10.5994 10.5994 10.7110 10.7110 11.2689 11.2689 12.6308 12.6308 12.6535 12.6535 12.9040 12.9040 k = 0.3197 0.3197-0.0000 ( 3971 PWs) bands (ev): -52.5786 -52.5786 -52.5340 -52.5340 -27.0429 -27.0429 -26.9602 -26.9602 -26.2803 -26.2803 -26.2304 -26.2304 -26.0302 -26.0302 -25.9138 -25.9138 3.3006 3.3006 3.8494 3.8494 7.6065 7.6065 8.0044 8.0044 8.0321 8.0321 8.1099 8.1099 8.7535 8.7535 9.0855 9.0855 9.9772 9.9772 10.0461 10.0461 10.3306 10.3306 10.6261 10.6261 10.6921 10.6921 11.3325 11.3325 12.6023 12.6023 12.6093 12.6093 12.9347 12.9347 k = 0.3115 0.3115-0.0000 ( 3983 PWs) bands (ev): -52.5805 -52.5805 -52.5322 -52.5322 -27.0439 -27.0439 -26.9549 -26.9549 -26.2799 -26.2799 -26.2247 -26.2247 -26.0393 -26.0393 -25.9141 -25.9141 3.2479 3.2479 3.8359 3.8359 7.6277 7.6277 7.9720 7.9720 8.0585 8.0585 8.1366 8.1366 8.7605 8.7605 9.0701 9.0701 9.9809 9.9809 10.0259 10.0259 10.3399 10.3399 10.6540 10.6540 10.6716 10.6716 11.3982 11.3982 12.5513 12.5513 12.5837 12.5837 12.9673 12.9673 k = 0.3033 0.3033-0.0000 ( 3983 PWs) bands (ev): -52.5824 -52.5824 -52.5304 -52.5304 -27.0449 -27.0449 -26.9497 -26.9497 -26.2796 -26.2796 -26.2188 -26.2188 -26.0485 -26.0485 -25.9143 -25.9143 3.1933 3.1933 3.8203 3.8203 7.6498 7.6498 7.9272 7.9272 8.0976 8.0976 8.1688 8.1688 8.7681 8.7681 9.0509 9.0509 9.9879 9.9879 10.0087 10.0087 10.3507 10.3507 10.6489 10.6489 10.6836 10.6836 11.4658 11.4658 12.4987 12.4987 12.5572 12.5572 13.0013 13.0013 k = 0.2951 0.2951-0.0000 ( 3979 PWs) bands (ev): -52.5844 -52.5844 -52.5285 -52.5285 -27.0460 -27.0460 -26.9445 -26.9445 -26.2795 -26.2795 -26.2126 -26.2126 -26.0576 -26.0576 -25.9145 -25.9145 3.1371 3.1371 3.8027 3.8027 7.6707 7.6707 7.8832 7.8832 8.1379 8.1379 8.2066 8.2066 8.7762 8.7762 9.0283 9.0283 9.9901 9.9901 10.0024 10.0024 10.3632 10.3632 10.6252 10.6252 10.7137 10.7137 11.5351 11.5351 12.4455 12.4455 12.5297 12.5297 13.0364 13.0364 k = 0.2869 0.2869-0.0000 ( 3973 PWs) bands (ev): -52.5863 -52.5863 -52.5266 -52.5266 -27.0472 -27.0472 -26.9394 -26.9394 -26.2794 -26.2794 -26.2063 -26.2063 -26.0666 -26.0666 -25.9146 -25.9146 3.0794 3.0794 3.7831 3.7831 7.6856 7.6856 7.8460 7.8460 8.1788 8.1788 8.2497 8.2497 8.7850 8.7850 9.0026 9.0026 9.9787 9.9787 10.0156 10.0156 10.3774 10.3774 10.6002 10.6002 10.7446 10.7446 11.6058 11.6058 12.3921 12.3921 12.5019 12.5019 13.0723 13.0723 k = 0.2787 0.2787-0.0000 ( 3969 PWs) bands (ev): -52.5883 -52.5883 -52.5247 -52.5247 -27.0485 -27.0485 -26.9344 -26.9344 -26.2796 -26.2796 -26.1998 -26.1998 -26.0754 -26.0754 -25.9146 -25.9146 3.0206 3.0206 3.7615 3.7615 7.6827 7.6827 7.8273 7.8273 8.2200 8.2200 8.2979 8.2979 8.7943 8.7943 8.9743 8.9743 9.9683 9.9683 10.0333 10.0333 10.3934 10.3934 10.5742 10.5742 10.7764 10.7764 11.6775 11.6775 12.3386 12.3386 12.4741 12.4741 13.1082 13.1082 k = 0.2705 0.2705-0.0000 ( 3961 PWs) bands (ev): -52.5903 -52.5903 -52.5228 -52.5228 -27.0499 -27.0499 -26.9295 -26.9295 -26.2799 -26.2799 -26.1932 -26.1932 -26.0840 -26.0840 -25.9145 -25.9145 2.9607 2.9607 3.7381 3.7381 7.6542 7.6542 7.8352 7.8352 8.2613 8.2613 8.3510 8.3510 8.8041 8.8041 8.9439 8.9439 9.9600 9.9600 10.0540 10.0540 10.4113 10.4113 10.5472 10.5472 10.8089 10.8089 11.7498 11.7498 12.2853 12.2853 12.4468 12.4468 13.1403 13.1404 k = 0.2623 0.2623-0.0000 ( 3967 PWs) bands (ev): -52.5924 -52.5924 -52.5208 -52.5208 -27.0515 -27.0515 -26.9247 -26.9247 -26.2805 -26.2805 -26.1865 -26.1865 -26.0924 -26.0924 -25.9142 -25.9142 2.9001 2.9001 3.7130 3.7130 7.6095 7.6095 7.8605 7.8605 8.3027 8.3027 8.4086 8.4086 8.8145 8.8145 8.9118 8.9118 9.9539 9.9539 10.0773 10.0773 10.4310 10.4310 10.5198 10.5198 10.8424 10.8424 11.8223 11.8223 12.2325 12.2325 12.4201 12.4201 13.1468 13.1468 k = 0.2541 0.2541-0.0000 ( 3949 PWs) bands (ev): -52.5944 -52.5944 -52.5189 -52.5189 -27.0531 -27.0531 -26.9201 -26.9201 -26.2813 -26.2813 -26.1797 -26.1797 -26.1004 -26.1004 -25.9138 -25.9138 2.8389 2.8389 3.6864 3.6864 7.5576 7.5576 7.8942 7.8942 8.3440 8.3440 8.4700 8.4700 8.8253 8.8253 8.8787 8.8787 9.9501 9.9501 10.1025 10.1025 10.4522 10.4522 10.4928 10.4928 10.8769 10.8769 11.8943 11.8943 12.1803 12.1803 12.3940 12.3940 13.1378 13.1378 k = 0.2459 0.2459-0.0000 ( 3955 PWs) bands (ev): -52.5964 -52.5964 -52.5169 -52.5169 -27.0548 -27.0548 -26.9156 -26.9156 -26.2824 -26.2824 -26.1729 -26.1729 -26.1080 -26.1080 -25.9133 -25.9133 2.7774 2.7774 3.6584 3.6584 7.5025 7.5025 7.9327 7.9327 8.3850 8.3850 8.5344 8.5344 8.8346 8.8346 8.8474 8.8474 9.9488 9.9488 10.1288 10.1288 10.4599 10.4599 10.4814 10.4814 10.9126 10.9126 11.9647 11.9647 12.1295 12.1295 12.3687 12.3687 13.1269 13.1269 k = 0.2377 0.2377-0.0000 ( 3953 PWs) bands (ev): -52.5985 -52.5985 -52.5149 -52.5149 -27.0566 -27.0566 -26.9113 -26.9113 -26.2838 -26.2838 -26.1660 -26.1660 -26.1152 -26.1152 -25.9126 -25.9126 2.7158 2.7158 3.6292 3.6292 7.4457 7.4457 7.9743 7.9743 8.4258 8.4258 8.6001 8.6001 8.8108 8.8108 8.8505 8.8505 9.9503 9.9503 10.1552 10.1552 10.4355 10.4355 10.5050 10.5050 10.9499 10.9499 12.0282 12.0282 12.0848 12.0848 12.3441 12.3441 13.1160 13.1160 k = 0.2295 0.2295-0.0000 ( 3949 PWs) bands (ev): -52.6005 -52.6005 -52.5130 -52.5130 -27.0585 -27.0585 -26.9071 -26.9071 -26.2855 -26.2855 -26.1592 -26.1592 -26.1219 -26.1219 -25.9117 -25.9117 2.6543 2.6543 3.5990 3.5990 7.3880 7.3880 8.0183 8.0183 8.4663 8.4663 8.6621 8.6621 8.7838 8.7838 8.8628 8.8628 9.9552 9.9552 10.1799 10.1799 10.4108 10.4108 10.5328 10.5328 10.9891 10.9891 12.0200 12.0200 12.1104 12.1104 12.3200 12.3200 13.1056 13.1056 k = 0.2213 0.2213-0.0000 ( 3949 PWs) bands (ev): -52.6025 -52.6025 -52.5111 -52.5111 -27.0605 -27.0605 -26.9032 -26.9032 -26.2875 -26.2875 -26.1525 -26.1525 -26.1282 -26.1282 -25.9107 -25.9107 2.5931 2.5931 3.5680 3.5680 7.3301 7.3301 8.0644 8.0644 8.5062 8.5062 8.6955 8.6955 8.7861 8.7861 8.8759 8.8759 9.9641 9.9641 10.2006 10.2006 10.3899 10.3899 10.5629 10.5629 11.0307 11.0307 11.9737 11.9737 12.1716 12.1716 12.2966 12.2966 13.0963 13.0963 k = 0.2131 0.2131-0.0000 ( 3955 PWs) bands (ev): -52.6045 -52.6045 -52.5091 -52.5091 -27.0625 -27.0625 -26.8994 -26.8994 -26.2899 -26.2899 -26.1458 -26.1458 -26.1339 -26.1339 -25.9094 -25.9094 2.5325 2.5325 3.5363 3.5363 7.2723 7.2723 8.1122 8.1122 8.5457 8.5457 8.6793 8.6793 8.8381 8.8381 8.8896 8.8896 9.9779 9.9779 10.2134 10.2134 10.3760 10.3760 10.5951 10.5951 11.0751 11.0751 11.9263 11.9263 12.2287 12.2287 12.2753 12.2753 13.0887 13.0887 k = 0.2049 0.2049-0.0000 ( 3959 PWs) bands (ev): -52.6065 -52.6065 -52.5073 -52.5073 -27.0647 -27.0647 -26.8958 -26.8958 -26.2925 -26.2925 -26.1393 -26.1393 -26.1391 -26.1391 -25.9080 -25.9080 2.4726 2.4726 3.5042 3.5042 7.2148 7.2148 8.1614 8.1614 8.5843 8.5843 8.6488 8.6488 8.9018 8.9018 8.9054 8.9054 9.9977 9.9977 10.2145 10.2145 10.3727 10.3727 10.6292 10.6292 11.1227 11.1227 11.8798 11.8798 12.2433 12.2433 12.2915 12.2915 13.0833 13.0834 k = 0.1967 0.1967-0.0000 ( 3959 PWs) bands (ev): -52.6084 -52.6084 -52.5054 -52.5054 -27.0669 -27.0669 -26.8924 -26.8924 -26.2955 -26.2955 -26.1437 -26.1437 -26.1330 -26.1330 -25.9063 -25.9063 2.4136 2.4136 3.4718 3.4718 7.1580 7.1580 8.2118 8.2118 8.6119 8.6119 8.6261 8.6261 8.9180 8.9180 8.9696 8.9696 10.0245 10.0245 10.2036 10.2036 10.3796 10.3796 10.6651 10.6651 11.1739 11.1739 11.8345 11.8345 12.2213 12.2213 12.3376 12.3376 13.0809 13.0809 k = 0.1885 0.1885-0.0000 ( 3959 PWs) bands (ev): -52.6103 -52.6103 -52.5036 -52.5036 -27.0692 -27.0692 -26.8892 -26.8892 -26.2988 -26.2988 -26.1478 -26.1478 -26.1269 -26.1269 -25.9044 -25.9044 2.3557 2.3557 3.4394 3.4394 7.1021 7.1021 8.2633 8.2633 8.5806 8.5806 8.6612 8.6612 8.9328 8.9328 9.0321 9.0321 10.0597 10.0597 10.1843 10.1843 10.3929 10.3929 10.7027 10.7027 11.2291 11.2291 11.7906 11.7906 12.1970 12.1970 12.3781 12.3781 13.0818 13.0818 k = 0.1803 0.1803-0.0000 ( 3959 PWs) bands (ev): -52.6121 -52.6121 -52.5017 -52.5017 -27.0715 -27.0715 -26.8862 -26.8862 -26.3023 -26.3023 -26.1513 -26.1513 -26.1210 -26.1210 -25.9023 -25.9023 2.2990 2.2990 3.4070 3.4070 7.0472 7.0472 8.3156 8.3156 8.5473 8.5473 8.6979 8.6979 8.9479 8.9479 9.0893 9.0893 10.1045 10.1045 10.1605 10.1605 10.4083 10.4083 10.7418 10.7418 11.2882 11.2882 11.7483 11.7483 12.1720 12.1720 12.4105 12.4105 13.0864 13.0864 k = 0.1721 0.1721-0.0000 ( 3955 PWs) bands (ev): -52.6140 -52.6140 -52.5000 -52.5000 -27.0739 -27.0739 -26.8833 -26.8833 -26.3060 -26.3060 -26.1544 -26.1544 -26.1154 -26.1154 -25.8999 -25.8999 2.2438 2.2438 3.3750 3.3750 6.9936 6.9936 8.3686 8.3686 8.5145 8.5145 8.7339 8.7339 8.9632 8.9632 9.1399 9.1399 10.1344 10.1344 10.1594 10.1594 10.4235 10.4235 10.7822 10.7822 11.3513 11.3513 11.7076 11.7076 12.1463 12.1463 12.4344 12.4344 13.0945 13.0945 k = 0.1639 0.1639-0.0000 ( 3967 PWs) bands (ev): -52.6157 -52.6157 -52.4983 -52.4983 -27.0763 -27.0763 -26.8806 -26.8806 -26.3098 -26.3098 -26.1571 -26.1571 -26.1101 -26.1101 -25.8974 -25.8974 2.1902 2.1902 3.3434 3.3434 6.9414 6.9414 8.4221 8.4221 8.4827 8.4827 8.7691 8.7691 8.9787 8.9787 9.1832 9.1832 10.1075 10.1075 10.2248 10.2248 10.4372 10.4372 10.8237 10.8237 11.4181 11.4181 11.6690 11.6690 12.1203 12.1203 12.4498 12.4498 13.1053 13.1053 k = 0.1557 0.1557-0.0000 ( 3961 PWs) bands (ev): -52.6174 -52.6174 -52.4966 -52.4966 -27.0787 -27.0787 -26.8782 -26.8782 -26.3138 -26.3138 -26.1593 -26.1593 -26.1051 -26.1051 -25.8946 -25.8946 2.1384 2.1384 3.3123 3.3123 6.8908 6.8908 8.4519 8.4519 8.4758 8.4758 8.8034 8.8034 8.9942 8.9942 9.2190 9.2190 10.0803 10.0803 10.3001 10.3001 10.4487 10.4487 10.8661 10.8661 11.4874 11.4874 11.6331 11.6331 12.0942 12.0942 12.4574 12.4574 13.1178 13.1178 k = 0.1475 0.1475-0.0000 ( 3955 PWs) bands (ev): -52.6191 -52.6191 -52.4950 -52.4950 -27.0811 -27.0811 -26.8758 -26.8758 -26.3178 -26.3178 -26.1612 -26.1612 -26.1005 -26.1005 -25.8917 -25.8917 2.0884 2.0884 3.2820 3.2820 6.8420 6.8420 8.4222 8.4222 8.5296 8.5296 8.8368 8.8368 9.0097 9.0097 9.2479 9.2479 10.0533 10.0533 10.3842 10.3842 10.4582 10.4582 10.9090 10.9090 11.5516 11.5516 11.6076 11.6076 12.0684 12.0684 12.4584 12.4584 13.1305 13.1305 k = 0.1393 0.1393-0.0000 ( 3953 PWs) bands (ev): -52.6207 -52.6207 -52.4935 -52.4935 -27.0835 -27.0835 -26.8737 -26.8737 -26.3218 -26.3218 -26.1627 -26.1627 -26.0962 -26.0962 -25.8887 -25.8887 2.0404 2.0404 3.2526 3.2526 6.7950 6.7950 8.3939 8.3939 8.5833 8.5833 8.8693 8.8693 9.0252 9.0252 9.2706 9.2706 10.0268 10.0268 10.4595 10.4595 10.4816 10.4816 10.9523 10.9523 11.5522 11.5522 11.6502 11.6502 12.0435 12.0435 12.4542 12.4542 13.1419 13.1419 k = 0.1311 0.1311-0.0000 ( 3957 PWs) bands (ev): -52.6222 -52.6222 -52.4920 -52.4920 -27.0859 -27.0859 -26.8717 -26.8717 -26.3258 -26.3258 -26.1640 -26.1640 -26.0922 -26.0922 -25.8855 -25.8855 1.9946 1.9946 3.2242 3.2242 6.7501 6.7501 8.3668 8.3668 8.6365 8.6365 8.9007 8.9007 9.0404 9.0404 9.2880 9.2880 10.0010 10.0010 10.4671 10.4671 10.5760 10.5760 10.9955 10.9955 11.5235 11.5235 11.7260 11.7260 12.0203 12.0203 12.4461 12.4461 13.1509 13.1509 k = 0.1230 0.1230-0.0000 ( 3955 PWs) bands (ev): -52.6236 -52.6236 -52.4906 -52.4906 -27.0883 -27.0883 -26.8699 -26.8699 -26.3297 -26.3297 -26.1650 -26.1650 -26.0886 -26.0886 -25.8822 -25.8822 1.9510 1.9510 3.1970 3.1970 6.7073 6.7073 8.3412 8.3412 8.6892 8.6892 8.9310 8.9310 9.0554 9.0554 9.3012 9.3012 9.9762 9.9762 10.4693 10.4693 10.6774 10.6774 11.0382 11.0382 11.4943 11.4943 11.8056 11.8056 11.9999 11.9999 12.4353 12.4353 13.1565 13.1565 k = 0.1148 0.1148-0.0000 ( 3959 PWs) bands (ev): -52.6250 -52.6250 -52.4893 -52.4893 -27.0906 -27.0906 -26.8682 -26.8682 -26.3335 -26.3335 -26.1658 -26.1658 -26.0853 -26.0853 -25.8789 -25.8789 1.9097 1.9097 3.1710 3.1710 6.6667 6.6667 8.3170 8.3170 8.7410 8.7410 8.9600 8.9600 9.0701 9.0701 9.3109 9.3109 9.9524 9.9524 10.4692 10.4692 10.7808 10.7808 11.0801 11.0801 11.4664 11.4664 11.8848 11.8848 11.9851 11.9851 12.4231 12.4231 13.1580 13.1580 k = 0.1066 0.1066-0.0000 ( 3953 PWs) bands (ev): -52.6263 -52.6263 -52.4880 -52.4880 -27.0928 -27.0928 -26.8666 -26.8666 -26.3371 -26.3371 -26.1664 -26.1664 -26.0823 -26.0823 -25.8756 -25.8756 1.8709 1.8709 3.1463 3.1463 6.6285 6.6285 8.2943 8.2943 8.7916 8.7916 8.9878 8.9878 9.0843 9.0843 9.3180 9.3180 9.9297 9.9297 10.4673 10.4673 10.8834 10.8834 11.1208 11.1208 11.4403 11.4403 11.9458 11.9458 11.9937 11.9937 12.4105 12.4105 13.1553 13.1553 k = 0.0984 0.0984-0.0000 ( 3953 PWs) bands (ev): -52.6275 -52.6275 -52.4868 -52.4868 -27.0949 -27.0949 -26.8652 -26.8652 -26.3405 -26.3405 -26.1669 -26.1669 -26.0796 -26.0796 -25.8724 -25.8724 1.8346 1.8346 3.1232 3.1232 6.5928 6.5928 8.2731 8.2731 8.8408 8.8408 9.0143 9.0143 9.0979 9.0979 9.3230 9.3230 9.9082 9.9082 10.4637 10.4637 10.9824 10.9824 11.1598 11.1598 11.4160 11.4160 11.9542 11.9542 12.0612 12.0612 12.3984 12.3984 13.1484 13.1484 k = 0.0902 0.0902-0.0000 ( 3953 PWs) bands (ev): -52.6286 -52.6286 -52.4857 -52.4857 -27.0969 -27.0969 -26.8640 -26.8640 -26.3438 -26.3438 -26.1673 -26.1673 -26.0773 -26.0773 -25.8692 -25.8692 1.8009 1.8009 3.1015 3.1015 6.5596 6.5596 8.2536 8.2536 8.8882 8.8882 9.0392 9.0392 9.1109 9.1109 9.3264 9.3264 9.8881 9.8881 10.4589 10.4589 11.0745 11.0745 11.1969 11.1969 11.3937 11.3937 11.9590 11.9590 12.1398 12.1398 12.3876 12.3876 13.1376 13.1376 k = 0.0820 0.0820-0.0000 ( 3953 PWs) bands (ev): -52.6297 -52.6297 -52.4847 -52.4847 -27.0989 -27.0989 -26.8628 -26.8628 -26.3468 -26.3468 -26.1676 -26.1676 -26.0752 -26.0752 -25.8661 -25.8661 1.7699 1.7699 3.0815 3.0815 6.5290 6.5290 8.2356 8.2356 8.9336 8.9336 9.0626 9.0626 9.1232 9.1232 9.3287 9.3287 9.8693 9.8693 10.4529 10.4529 11.1562 11.1562 11.2318 11.2318 11.3734 11.3734 11.9731 11.9731 12.2175 12.2175 12.3788 12.3788 13.1234 13.1234 k = 0.0738 0.0738-0.0000 ( 3945 PWs) bands (ev): -52.6306 -52.6306 -52.4838 -52.4838 -27.1006 -27.1006 -26.8618 -26.8618 -26.3496 -26.3496 -26.1677 -26.1677 -26.0733 -26.0733 -25.8632 -25.8632 1.7417 1.7417 3.0631 3.0631 6.5011 6.5011 8.2193 8.2193 8.9765 8.9765 9.0843 9.0843 9.1347 9.1347 9.3301 9.3301 9.8520 9.8520 10.4463 10.4463 11.2235 11.2235 11.2651 11.2651 11.3552 11.3552 11.9995 11.9995 12.2920 12.2920 12.3730 12.3730 13.1065 13.1065 k = 0.0656 0.0656-0.0000 ( 3953 PWs) bands (ev): -52.6315 -52.6315 -52.4829 -52.4829 -27.1022 -27.1022 -26.8610 -26.8610 -26.3521 -26.3521 -26.1679 -26.1679 -26.0717 -26.0717 -25.8605 -25.8605 1.7163 1.7163 3.0465 3.0465 6.4759 6.4759 8.2047 8.2047 9.0165 9.0165 9.1041 9.1041 9.1452 9.1452 9.3309 9.3309 9.8362 9.8362 10.4391 10.4391 11.2722 11.2722 11.2982 11.2982 11.3395 11.3395 12.0386 12.0386 12.3545 12.3545 12.3778 12.3778 13.0875 13.0875 k = 0.0574 0.0574-0.0000 ( 3961 PWs) bands (ev): -52.6323 -52.6323 -52.4822 -52.4822 -27.1037 -27.1037 -26.8602 -26.8602 -26.3543 -26.3543 -26.1680 -26.1680 -26.0704 -26.0704 -25.8580 -25.8580 1.6937 1.6937 3.0318 3.0318 6.4536 6.4536 8.1917 8.1917 9.0532 9.0532 9.1220 9.1220 9.1548 9.1548 9.3313 9.3313 9.8220 9.8220 10.4317 10.4317 11.3031 11.3031 11.3206 11.3206 11.3364 11.3364 12.0887 12.0887 12.3641 12.3641 12.4331 12.4331 13.0672 13.0672 k = 0.0492 0.0492-0.0000 ( 3953 PWs) bands (ev): -52.6329 -52.6329 -52.4815 -52.4815 -27.1050 -27.1050 -26.8595 -26.8595 -26.3563 -26.3563 -26.1680 -26.1680 -26.0692 -26.0692 -25.8558 -25.8558 1.6741 1.6741 3.0189 3.0189 6.4341 6.4341 8.1805 8.1805 9.0861 9.0861 9.1378 9.1378 9.1635 9.1635 9.3314 9.3314 9.8094 9.8094 10.4245 10.4245 11.3091 11.3091 11.3274 11.3274 11.3593 11.3593 12.1455 12.1455 12.3665 12.3665 12.4920 12.4920 13.0466 13.0466 k = 0.0410 0.0410-0.0000 ( 3949 PWs) bands (ev): -52.6335 -52.6335 -52.4810 -52.4810 -27.1061 -27.1061 -26.8589 -26.8589 -26.3580 -26.3580 -26.1680 -26.1680 -26.0682 -26.0682 -25.8538 -25.8538 1.6574 1.6574 3.0079 3.0079 6.4176 6.4176 8.1709 8.1709 9.1148 9.1148 9.1514 9.1514 9.1711 9.1711 9.3313 9.3313 9.7986 9.7986 10.4177 10.4177 11.2995 11.2995 11.3440 11.3440 11.3768 11.3768 12.2040 12.2040 12.3708 12.3708 12.5442 12.5442 13.0266 13.0266 k = 0.0328 0.0328-0.0000 ( 3955 PWs) bands (ev): -52.6339 -52.6339 -52.4805 -52.4805 -27.1071 -27.1071 -26.8585 -26.8585 -26.3593 -26.3593 -26.1681 -26.1681 -26.0675 -26.0675 -25.8522 -25.8522 1.6437 1.6437 2.9989 2.9989 6.4040 6.4040 8.1631 8.1631 9.1386 9.1386 9.1627 9.1627 9.1779 9.1779 9.3312 9.3312 9.7895 9.7895 10.4117 10.4117 11.2911 11.2911 11.3566 11.3566 11.3885 11.3885 12.2583 12.2583 12.3772 12.3772 12.5882 12.5882 13.0082 13.0082 k = 0.0246 0.0246-0.0000 ( 3955 PWs) bands (ev): -52.6343 -52.6343 -52.4802 -52.4802 -27.1078 -27.1078 -26.8582 -26.8582 -26.3604 -26.3604 -26.1681 -26.1681 -26.0669 -26.0669 -25.8510 -25.8510 1.6330 1.6330 2.9918 2.9918 6.3934 6.3934 8.1570 8.1570 9.1568 9.1568 9.1716 9.1716 9.1839 9.1839 9.3310 9.3310 9.7824 9.7824 10.4067 10.4067 11.2845 11.2845 11.3655 11.3655 11.3962 11.3962 12.3031 12.3031 12.3858 12.3858 12.6233 12.6233 12.9924 12.9924 k = 0.0164 0.0164-0.0000 ( 3955 PWs) bands (ev): -52.6346 -52.6346 -52.4799 -52.4799 -27.1083 -27.1083 -26.8579 -26.8579 -26.3612 -26.3612 -26.1681 -26.1681 -26.0665 -26.0665 -25.8500 -25.8500 1.6254 1.6254 2.9867 2.9867 6.3859 6.3859 8.1526 8.1526 9.1689 9.1689 9.1779 9.1779 9.1896 9.1896 9.3309 9.3309 9.7772 9.7772 10.4029 10.4029 11.2797 11.2797 11.3712 11.3712 11.4012 11.4012 12.3338 12.3338 12.3967 12.3967 12.6487 12.6487 12.9803 12.9803 k = 0.0082 0.0082-0.0000 ( 3951 PWs) bands (ev): -52.6347 -52.6347 -52.4798 -52.4798 -27.1086 -27.1086 -26.8578 -26.8578 -26.3616 -26.3616 -26.1680 -26.1680 -26.0662 -26.0662 -25.8495 -25.8495 1.6208 1.6208 2.9837 2.9837 6.3813 6.3813 8.1500 8.1500 9.1752 9.1752 9.1818 9.1818 9.1940 9.1940 9.3308 9.3308 9.7741 9.7741 10.4005 10.4005 11.2769 11.2769 11.3742 11.3742 11.4041 11.4041 12.3497 12.3497 12.4071 12.4071 12.6641 12.6641 12.9726 12.9726 k = 0.0000 0.0000 0.0000 ( 3943 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6192 1.6192 2.9827 2.9827 6.3798 6.3798 8.1491 8.1491 9.1771 9.1771 9.1831 9.1831 9.1958 9.1958 9.3308 9.3308 9.7730 9.7730 10.3997 10.3997 11.2759 11.2759 11.3751 11.3751 11.4050 11.4050 12.3543 12.3543 12.4115 12.4115 12.6693 12.6693 12.9699 12.9699 k = 0.0000 0.0000 0.0000 ( 3943 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6192 1.6192 2.9827 2.9827 6.3798 6.3798 8.1491 8.1491 9.1771 9.1771 9.1831 9.1831 9.1958 9.1958 9.3308 9.3308 9.7730 9.7730 10.3997 10.3997 11.2759 11.2759 11.3751 11.3751 11.4050 11.4050 12.3543 12.3543 12.4115 12.4115 12.6693 12.6693 12.9699 12.9699 k = 0.0000 0.0000 0.0116 ( 3951 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6206 1.6206 2.9805 2.9805 6.3805 6.3805 8.1464 8.1464 9.1776 9.1776 9.1843 9.1843 9.1963 9.1963 9.3334 9.3334 9.7731 9.7731 10.4009 10.4009 11.2707 11.2707 11.3731 11.3731 11.4030 11.4030 12.3553 12.3553 12.4125 12.4125 12.6687 12.6687 12.9754 12.9754 k = 0.0000 0.0000 0.0233 ( 3947 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 1.6248 1.6248 2.9739 2.9739 6.3827 6.3827 8.1383 8.1383 9.1791 9.1791 9.1879 9.1879 9.1978 9.1978 9.3414 9.3414 9.7733 9.7733 10.4042 10.4042 11.2550 11.2550 11.3670 11.3670 11.3971 11.3971 12.3583 12.3583 12.4155 12.4155 12.6671 12.6671 12.9915 12.9915 k = 0.0000 0.0000 0.0349 ( 3939 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6318 1.6318 2.9630 2.9630 6.3864 6.3864 8.1249 8.1249 9.1817 9.1817 9.1938 9.1938 9.2003 9.2003 9.3545 9.3545 9.7736 9.7736 10.4095 10.4095 11.2298 11.2298 11.3571 11.3571 11.3874 11.3874 12.3633 12.3633 12.4204 12.4204 12.6644 12.6644 13.0175 13.0175 k = 0.0000 0.0000 0.0466 ( 3939 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.6414 1.6414 2.9479 2.9479 6.3915 6.3915 8.1066 8.1066 9.1852 9.1852 9.2016 9.2016 9.2043 9.2043 9.3727 9.3727 9.7740 9.7740 10.4164 10.4164 11.1960 11.1960 11.3435 11.3435 11.3743 11.3743 12.3704 12.3704 12.4274 12.4274 12.6608 12.6608 13.0521 13.0521 k = 0.0000 0.0000 0.0582 ( 3935 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.6539 1.6539 2.9288 2.9288 6.3982 6.3982 8.0835 8.0835 9.1896 9.1896 9.2074 9.2074 9.2134 9.2134 9.3959 9.3959 9.7745 9.7745 10.4246 10.4246 11.1549 11.1549 11.3267 11.3267 11.3580 11.3580 12.3794 12.3794 12.4363 12.4363 12.6564 12.6564 13.0941 13.0941 k = 0.0000 0.0000 0.0699 ( 3935 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.6690 1.6690 2.9058 2.9058 6.4063 6.4063 8.0562 8.0562 9.1949 9.1949 9.2126 9.2126 9.2262 9.2262 9.4237 9.4237 9.7751 9.7751 10.4336 10.4336 11.1078 11.1078 11.3070 11.3070 11.3389 11.3389 12.3904 12.3904 12.4472 12.4472 12.6513 12.6513 13.1418 13.1418 k = 0.0000 0.0000 0.0815 ( 3935 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.6867 1.6867 2.8791 2.8791 6.4159 6.4159 8.0251 8.0251 9.2010 9.2010 9.2184 9.2184 9.2413 9.2413 9.4559 9.4559 9.7758 9.7758 10.4427 10.4427 11.0560 11.0560 11.2849 11.2849 11.3176 11.3176 12.4034 12.4034 12.4601 12.4601 12.6457 12.6457 13.1940 13.1940 k = 0.0000 0.0000 0.0932 ( 3939 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.7071 1.7071 2.8490 2.8490 6.4269 6.4269 7.9909 7.9909 9.2077 9.2077 9.2249 9.2249 9.2584 9.2584 9.4920 9.4920 9.7765 9.7765 10.4516 10.4516 11.0007 11.0007 11.2609 11.2609 11.2944 11.2944 12.4184 12.4184 12.4749 12.4749 12.6397 12.6397 13.2491 13.2491 k = 0.0000 0.0000 0.1048 ( 3935 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.7300 1.7300 2.8158 2.8158 6.4393 6.4393 7.9541 7.9541 9.2150 9.2150 9.2318 9.2318 9.2775 9.2775 9.5315 9.5315 9.7773 9.7773 10.4597 10.4597 10.9430 10.9430 11.2356 11.2356 11.2699 11.2699 12.4353 12.4353 12.4915 12.4915 12.6336 12.6336 13.3060 13.3060 k = 0.0000 0.0000 0.1164 ( 3947 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.7553 1.7553 2.7797 2.7797 6.4530 6.4530 7.9154 7.9154 9.2227 9.2227 9.2392 9.2392 9.2984 9.2984 9.5738 9.5738 9.7781 9.7781 10.4666 10.4666 10.8840 10.8840 11.2095 11.2095 11.2446 11.2446 12.4541 12.4541 12.5097 12.5097 12.6277 12.6277 13.3410 13.3417 k = 0.0000 0.0000 0.1281 ( 3947 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.7830 1.7830 2.7411 2.7411 6.4678 6.4678 7.8755 7.8755 9.2307 9.2307 9.2468 9.2468 9.3208 9.3208 9.6183 9.6183 9.7790 9.7790 10.4718 10.4718 10.8246 10.8246 11.1830 11.1830 11.2191 11.2191 12.4748 12.4748 12.5291 12.5291 12.6224 12.6224 13.2999 13.2999 k = 0.0000 0.0000 0.1397 ( 3947 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.8130 1.8130 2.7003 2.7003 6.4835 6.4835 7.8351 7.8351 9.2388 9.2388 9.2546 9.2546 9.3445 9.3445 9.6643 9.6643 9.7798 9.7798 10.4750 10.4750 10.7655 10.7655 11.1568 11.1568 11.1938 11.1938 12.4972 12.4972 12.5489 12.5489 12.6187 12.6187 13.2584 13.2584 k = 0.0000 0.0000 0.1514 ( 3947 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0661 -26.0661 -25.8493 -25.8493 1.8452 1.8452 2.6576 2.6576 6.4999 6.4999 7.7950 7.7950 9.2470 9.2470 9.2623 9.2623 9.3692 9.3692 9.7110 9.7110 9.7807 9.7807 10.4761 10.4761 10.7077 10.7077 11.1314 11.1314 11.1691 11.1691 12.5212 12.5212 12.5665 12.5665 12.6193 12.6193 13.2169 13.2169 k = 0.0000 0.0000 0.1630 ( 3971 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0661 -26.0661 -25.8493 -25.8493 1.8794 1.8794 2.6133 2.6133 6.5167 6.5167 7.7558 7.7558 9.2549 9.2549 9.2698 9.2698 9.3945 9.3945 9.7577 9.7577 9.7815 9.7815 10.4749 10.4749 10.6518 10.6518 11.1071 11.1071 11.1457 11.1457 12.5468 12.5468 12.5768 12.5768 12.6292 12.6292 13.1754 13.1754 k = 0.0000 0.0000 0.1747 ( 3978 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 1.9155 1.9155 2.5678 2.5678 6.5334 6.5334 7.7185 7.7185 9.2624 9.2624 9.2770 9.2770 9.4198 9.4198 9.7822 9.7822 9.8033 9.8033 10.4714 10.4714 10.5989 10.5989 11.0846 11.0846 11.1239 11.1239 12.5738 12.5738 12.5788 12.5788 12.6494 12.6494 13.1342 13.1342 k = 0.0000 0.0000 0.1863 ( 3982 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1680 -26.1680 -26.0662 -26.0662 -25.8493 -25.8493 1.9534 1.9534 2.5215 2.5215 6.5496 6.5496 7.6837 7.6837 9.2694 9.2694 9.2836 9.2836 9.4446 9.4446 9.7829 9.7829 9.8470 9.8470 10.4659 10.4659 10.5496 10.5496 11.0641 11.0641 11.1041 11.1041 12.5770 12.5770 12.6020 12.6020 12.6755 12.6755 13.0936 13.0936 k = 0.0000 0.0000 0.1979 ( 3990 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1088 -27.1088 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 1.9926 1.9926 2.4747 2.4747 6.5648 6.5648 7.6523 7.6523 9.2757 9.2757 9.2896 9.2896 9.4681 9.4681 9.7835 9.7835 9.8877 9.8877 10.4588 10.4588 10.5051 10.5051 11.0460 11.0460 11.0867 11.0867 12.5741 12.5741 12.6310 12.6310 12.7046 12.7046 13.0539 13.0539 k = 0.0000 0.0000 0.2096 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.0329 2.0329 2.4281 2.4281 6.5784 6.5784 7.6252 7.6252 9.2811 9.2811 9.2947 9.2947 9.4894 9.4894 9.7840 9.7840 9.9241 9.9241 10.4507 10.4507 10.4664 10.4664 11.0308 11.0308 11.0720 11.0720 12.5711 12.5711 12.6602 12.6602 12.7354 12.7354 13.0159 13.0159 k = 0.0000 0.0000 0.2212 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.0735 2.0735 2.3825 2.3825 6.5898 6.5898 7.6031 7.6031 9.2854 9.2854 9.2988 9.2988 9.5075 9.5075 9.7845 9.7845 9.9549 9.9549 10.4346 10.4346 10.4424 10.4424 11.0186 11.0186 11.0602 11.0602 12.5686 12.5686 12.6888 12.6888 12.7669 12.7669 12.9804 12.9804 k = 0.0000 0.0000 0.2329 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.1130 2.1130 2.3393 2.3393 6.5984 6.5984 7.5867 7.5867 9.2886 9.2886 9.3018 9.3018 9.5215 9.5215 9.7848 9.7848 9.9784 9.9784 10.4108 10.4108 10.4352 10.4352 11.0098 11.0098 11.0517 11.0517 12.5667 12.5667 12.7147 12.7147 12.7975 12.7975 12.9495 12.9495 k = 0.0000 0.0000 0.2445 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.1470 2.1470 2.3031 2.3031 6.6038 6.6038 7.5766 7.5766 9.2906 9.2906 9.3037 9.3037 9.5303 9.5303 9.7850 9.7850 9.9933 9.9933 10.3960 10.3960 10.4303 10.4303 11.0044 11.0044 11.0465 11.0465 12.5655 12.5655 12.7344 12.7344 12.8234 12.8234 12.9268 12.9268 k = 0.0000 0.0000 0.2562 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.1626 2.1626 2.2867 2.2867 6.6056 6.6056 7.5732 7.5732 9.2912 9.2912 9.3043 9.3043 9.5333 9.5333 9.7850 9.7850 9.9985 9.9985 10.3910 10.3910 10.4285 10.4285 11.0026 11.0026 11.0448 11.0448 12.5651 12.5651 12.7422 12.7422 12.8349 12.8349 12.9180 12.9180 k = 0.0000 0.0000 0.2562 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.1626 2.1626 2.2867 2.2867 6.6056 6.6056 7.5732 7.5732 9.2912 9.2912 9.3043 9.3043 9.5333 9.5333 9.7850 9.7850 9.9985 9.9985 10.3910 10.3910 10.4285 10.4285 11.0026 11.0026 11.0448 11.0448 12.5651 12.5651 12.7422 12.7422 12.8349 12.8349 12.9180 12.9180 k = 0.0000 0.0116 0.2562 ( 3998 PWs) bands (ev): -52.6347 -52.6347 -52.4798 -52.4798 -27.1086 -27.1086 -26.8578 -26.8578 -26.3616 -26.3616 -26.1681 -26.1681 -26.0662 -26.0662 -25.8495 -25.8495 2.1639 2.1639 2.2881 2.2881 6.6071 6.6071 7.5734 7.5734 9.2879 9.2879 9.3024 9.3024 9.5379 9.5379 9.7859 9.7859 9.9976 9.9976 10.3775 10.3775 10.4287 10.4287 11.0054 11.0054 11.0516 11.0516 12.5696 12.5696 12.7379 12.7379 12.8308 12.8308 12.9171 12.9171 k = 0.0000 0.0233 0.2562 ( 3990 PWs) bands (ev): -52.6346 -52.6346 -52.4799 -52.4799 -27.1083 -27.1083 -26.8579 -26.8579 -26.3612 -26.3612 -26.1681 -26.1681 -26.0665 -26.0665 -25.8501 -25.8501 2.1677 2.1677 2.2924 2.2924 6.6118 6.6118 7.5741 7.5741 9.2741 9.2741 9.3015 9.3015 9.5506 9.5506 9.7885 9.7885 9.9947 9.9947 10.3407 10.3407 10.4292 10.4292 10.9992 10.9992 11.0836 11.0836 12.5829 12.5829 12.7241 12.7241 12.8200 12.8200 12.9141 12.9141 k = 0.0000 0.0349 0.2562 ( 3990 PWs) bands (ev): -52.6343 -52.6343 -52.4802 -52.4802 -27.1078 -27.1078 -26.8582 -26.8582 -26.3604 -26.3604 -26.1681 -26.1681 -26.0669 -26.0669 -25.8510 -25.8510 2.1741 2.1741 2.2996 2.2996 6.6195 6.6195 7.5752 7.5752 9.2504 9.2504 9.3034 9.3034 9.5691 9.5691 9.7929 9.7929 9.9886 9.9886 10.2889 10.2889 10.4301 10.4301 10.9790 10.9790 11.1390 11.1390 12.6038 12.6038 12.6985 12.6985 12.8063 12.8063 12.9092 12.9092 k = 0.0000 0.0465 0.2562 ( 3986 PWs) bands (ev): -52.6339 -52.6339 -52.4806 -52.4806 -27.1070 -27.1070 -26.8585 -26.8585 -26.3593 -26.3593 -26.1681 -26.1681 -26.0675 -26.0675 -25.8523 -25.8523 2.1830 2.1830 2.3096 2.3096 6.6303 6.6303 7.5765 7.5765 9.2201 9.2201 9.3068 9.3068 9.5913 9.5913 9.7989 9.7989 9.9769 9.9769 10.2315 10.2315 10.4315 10.4315 10.9491 10.9491 11.2076 11.2076 12.6282 12.6282 12.6626 12.6626 12.7931 12.7931 12.9025 12.9025 k = 0.0000 0.0581 0.2562 ( 3974 PWs) bands (ev): -52.6335 -52.6335 -52.4810 -52.4810 -27.1061 -27.1061 -26.8589 -26.8589 -26.3579 -26.3579 -26.1681 -26.1681 -26.0682 -26.0682 -25.8540 -25.8540 2.1944 2.1944 2.3224 2.3224 6.6441 6.6441 7.5780 7.5780 9.1849 9.1849 9.3114 9.3114 9.6156 9.6156 9.8068 9.8068 9.9552 9.9552 10.1777 10.1777 10.4333 10.4333 10.9118 10.9118 11.2836 11.2836 12.6025 12.6025 12.6693 12.6693 12.7817 12.7817 12.8942 12.8942 k = 0.0000 0.0698 0.2562 ( 3966 PWs) bands (ev): -52.6329 -52.6329 -52.4816 -52.4816 -27.1049 -27.1049 -26.8595 -26.8595 -26.3562 -26.3562 -26.1681 -26.1681 -26.0691 -26.0691 -25.8560 -25.8560 2.2083 2.2083 2.3380 2.3380 6.6610 6.6610 7.5794 7.5794 9.1457 9.1457 9.3171 9.3171 9.6413 9.6413 9.8163 9.8163 9.9176 9.9176 10.1361 10.1361 10.4357 10.4357 10.8685 10.8685 11.3638 11.3638 12.5422 12.5422 12.7020 12.7020 12.7735 12.7735 12.8848 12.8849 k = 0.0000 0.0814 0.2562 ( 3970 PWs) bands (ev): -52.6322 -52.6322 -52.4822 -52.4822 -27.1036 -27.1036 -26.8601 -26.8601 -26.3542 -26.3542 -26.1681 -26.1681 -26.0701 -26.0701 -25.8584 -25.8584 2.2247 2.2247 2.3564 2.3564 6.6808 6.6808 7.5805 7.5805 9.1030 9.1030 9.3237 9.3237 9.6675 9.6675 9.8276 9.8276 9.8629 9.8629 10.1101 10.1101 10.4388 10.4388 10.8204 10.8204 11.4461 11.4461 12.4737 12.4737 12.7268 12.7268 12.7748 12.7748 12.8755 12.8755 k = 0.0000 0.0930 0.2562 ( 3962 PWs) bands (ev): -52.6314 -52.6314 -52.4830 -52.4830 -27.1020 -27.1020 -26.8609 -26.8609 -26.3519 -26.3519 -26.1681 -26.1681 -26.0713 -26.0713 -25.8612 -25.8612 2.2436 2.2436 2.3775 2.3775 6.7036 6.7036 7.5810 7.5810 9.0570 9.0570 9.3311 9.3311 9.6941 9.6941 9.7960 9.7960 9.8406 9.8406 10.0963 10.0963 10.4427 10.4427 10.7685 10.7685 11.5291 11.5291 12.3999 12.3999 12.7303 12.7303 12.7906 12.7906 12.8684 12.8685 k = 0.0000 0.1047 0.2562 ( 3954 PWs) bands (ev): -52.6306 -52.6306 -52.4838 -52.4838 -27.1002 -27.1002 -26.8617 -26.8617 -26.3493 -26.3493 -26.1681 -26.1681 -26.0726 -26.0726 -25.8643 -25.8643 2.2648 2.2648 2.4013 2.4013 6.7292 6.7292 7.5806 7.5806 9.0079 9.0079 9.3394 9.3394 9.7205 9.7205 9.7230 9.7230 9.8553 9.8553 10.0897 10.0897 10.4476 10.4476 10.7138 10.7138 11.6121 11.6121 12.3228 12.3228 12.7237 12.7237 12.7978 12.7978 12.8611 12.8611 k = 0.0000 0.1163 0.2562 ( 3962 PWs) bands (ev): -52.6296 -52.6296 -52.4848 -52.4848 -27.0983 -27.0983 -26.8627 -26.8627 -26.3464 -26.3464 -26.1681 -26.1681 -26.0741 -26.0741 -25.8678 -25.8678 2.2885 2.2885 2.4277 2.4277 6.7576 6.7576 7.5787 7.5787 8.9558 8.9558 9.3484 9.3484 9.6477 9.6477 9.7466 9.7466 9.8717 9.8717 10.0871 10.0871 10.4536 10.4536 10.6569 10.6569 11.6943 11.6943 12.2439 12.2439 12.7151 12.7151 12.7886 12.7886 12.8482 12.8482 k = 0.0000 0.1279 0.2562 ( 3964 PWs) bands (ev): -52.6285 -52.6285 -52.4858 -52.4858 -27.0961 -27.0961 -26.8638 -26.8638 -26.3432 -26.3432 -26.1681 -26.1681 -26.0757 -26.0757 -25.8716 -25.8716 2.3144 2.3144 2.4567 2.4567 6.7888 6.7888 7.5750 7.5750 8.9007 8.9007 9.3581 9.3581 9.5727 9.5727 9.7720 9.7720 9.8898 9.8898 10.0868 10.0868 10.4610 10.4610 10.5986 10.5986 11.7750 11.7750 12.1643 12.1643 12.7064 12.7064 12.7708 12.7708 12.8318 12.8318 k = 0.0000 0.1395 0.2562 ( 3964 PWs) bands (ev): -52.6274 -52.6274 -52.4870 -52.4870 -27.0937 -27.0937 -26.8650 -26.8650 -26.3397 -26.3397 -26.1681 -26.1681 -26.0774 -26.0774 -25.8758 -25.8758 2.3427 2.3427 2.4882 2.4882 6.8225 6.8225 7.5689 7.5689 8.8428 8.8428 9.3682 9.3682 9.4998 9.4998 9.7964 9.7964 9.9096 9.9096 10.0879 10.0879 10.4700 10.4700 10.5394 10.5394 11.8539 11.8539 12.0850 12.0850 12.6980 12.6980 12.7486 12.7486 12.8135 12.8135 k = 0.0000 0.1512 0.2562 ( 3956 PWs) bands (ev): -52.6261 -52.6261 -52.4882 -52.4882 -27.0912 -27.0912 -26.8663 -26.8663 -26.3359 -26.3359 -26.1681 -26.1681 -26.0792 -26.0792 -25.8803 -25.8803 2.3732 2.3732 2.5221 2.5221 6.8588 6.8588 7.5599 7.5599 8.7822 8.7822 9.3788 9.3788 9.4301 9.4301 9.8195 9.8195 9.9311 9.9311 10.0898 10.0898 10.4774 10.4774 10.4833 10.4833 11.9304 11.9304 12.0069 12.0069 12.6893 12.6893 12.7246 12.7246 12.7937 12.7937 k = 0.0000 0.1628 0.2562 ( 3956 PWs) bands (ev): -52.6248 -52.6248 -52.4895 -52.4895 -27.0885 -27.0885 -26.8677 -26.8677 -26.3319 -26.3319 -26.1680 -26.1680 -26.0812 -26.0812 -25.8851 -25.8851 2.4058 2.4058 2.5583 2.5583 6.8975 6.8975 7.5475 7.5475 8.7189 8.7189 9.3646 9.3646 9.3896 9.3896 9.8410 9.8410 9.9542 9.9542 10.0922 10.0922 10.4198 10.4198 10.4946 10.4946 11.9304 11.9304 12.0043 12.0043 12.6764 12.6764 12.7030 12.7030 12.7728 12.7728 k = 0.0000 0.1744 0.2562 ( 3962 PWs) bands (ev): -52.6233 -52.6233 -52.4910 -52.4910 -27.0856 -27.0856 -26.8692 -26.8692 -26.3275 -26.3275 -26.1680 -26.1680 -26.0832 -26.0832 -25.8902 -25.8902 2.4406 2.4406 2.5968 2.5968 6.9384 6.9384 7.5310 7.5310 8.6532 8.6532 9.3042 9.3042 9.4006 9.4006 9.8606 9.8606 9.9789 9.9789 10.0949 10.0949 10.3605 10.3605 10.5102 10.5102 11.8566 11.8566 12.0748 12.0748 12.6524 12.6524 12.6903 12.6903 12.7515 12.7515 k = 0.0000 0.1860 0.2562 ( 3956 PWs) bands (ev): -52.6218 -52.6218 -52.4925 -52.4925 -27.0825 -27.0825 -26.8709 -26.8709 -26.3229 -26.3229 -26.1679 -26.1679 -26.0854 -26.0854 -25.8957 -25.8957 2.4775 2.4775 2.6374 2.6374 6.9813 6.9813 7.5100 7.5100 8.5854 8.5854 9.2494 9.2494 9.4115 9.4115 9.8781 9.8781 10.0052 10.0052 10.0977 10.0977 10.3017 10.3017 10.5286 10.5286 11.7857 11.7857 12.1417 12.1417 12.6210 12.6210 12.6807 12.6807 12.7320 12.7320 k = 0.0000 0.1977 0.2562 ( 3956 PWs) bands (ev): -52.6202 -52.6202 -52.4940 -52.4940 -27.0793 -27.0793 -26.8726 -26.8726 -26.3180 -26.3180 -26.1678 -26.1678 -26.0876 -26.0876 -25.9014 -25.9014 2.5163 2.5163 2.6801 2.6801 7.0260 7.0260 7.4841 7.4841 8.5157 8.5157 9.2009 9.2009 9.4223 9.4223 9.8932 9.8932 10.0332 10.0332 10.1005 10.1005 10.2439 10.2439 10.5498 10.5498 11.7183 11.7183 12.2045 12.2045 12.5860 12.5860 12.6655 12.6655 12.7192 12.7192 k = 0.0000 0.2093 0.2562 ( 3966 PWs) bands (ev): -52.6185 -52.6185 -52.4957 -52.4957 -27.0759 -27.0759 -26.8745 -26.8745 -26.3129 -26.3129 -26.1677 -26.1677 -26.0900 -26.0900 -25.9074 -25.9074 2.5570 2.5570 2.7247 2.7247 7.0720 7.0720 7.4530 7.4530 8.4446 8.4446 9.1589 9.1589 9.4327 9.4327 9.9060 9.9060 10.0626 10.0626 10.1033 10.1033 10.1871 10.1871 10.5739 10.5739 11.6547 11.6547 12.2628 12.2628 12.5486 12.5486 12.6411 12.6411 12.7151 12.7151 k = 0.0000 0.2209 0.2562 ( 3962 PWs) bands (ev): -52.6167 -52.6167 -52.4975 -52.4975 -27.0724 -27.0724 -26.8765 -26.8765 -26.3074 -26.3074 -26.1675 -26.1675 -26.0923 -26.0923 -25.9137 -25.9137 2.5995 2.5995 2.7710 2.7710 7.1190 7.1190 7.4167 7.4167 8.3726 8.3726 9.1236 9.1236 9.4425 9.4425 9.9165 9.9165 10.0926 10.0926 10.1069 10.1069 10.1317 10.1317 10.6008 10.6008 11.5954 11.5954 12.3162 12.3162 12.5091 12.5091 12.6099 12.6099 12.7169 12.7169 k = 0.0000 0.2326 0.2562 ( 3954 PWs) bands (ev): -52.6148 -52.6148 -52.4993 -52.4993 -27.0687 -27.0687 -26.8787 -26.8787 -26.3018 -26.3018 -26.1674 -26.1674 -26.0948 -26.0948 -25.9202 -25.9202 2.6436 2.6436 2.8190 2.8190 7.1662 7.1662 7.3752 7.3752 8.3004 8.3004 9.0949 9.0949 9.4517 9.4517 9.9247 9.9247 10.0777 10.0777 10.1066 10.1066 10.1279 10.1279 10.6303 10.6303 11.5407 11.5407 12.3644 12.3644 12.4677 12.4677 12.5741 12.5741 12.7217 12.7217 k = 0.0000 0.2442 0.2562 ( 3958 PWs) bands (ev): -52.6129 -52.6129 -52.5012 -52.5012 -27.0648 -27.0648 -26.8809 -26.8809 -26.2958 -26.2958 -26.1672 -26.1672 -26.0973 -26.0973 -25.9271 -25.9271 2.6894 2.6894 2.8684 2.8684 7.2128 7.2128 7.3290 7.3290 8.2292 8.2292 9.0724 9.0724 9.4599 9.4599 9.9308 9.9308 10.0254 10.0254 10.1091 10.1091 10.1616 10.1616 10.6624 10.6624 11.4909 11.4909 12.4069 12.4069 12.4247 12.4247 12.5345 12.5345 12.7282 12.7282 k = 0.0000 0.2558 0.2562 ( 3960 PWs) bands (ev): -52.6108 -52.6108 -52.5032 -52.5032 -27.0609 -27.0609 -26.8833 -26.8833 -26.2897 -26.2897 -26.1669 -26.1669 -26.0998 -26.0998 -25.9341 -25.9341 2.7367 2.7367 2.9190 2.9190 7.2569 7.2569 7.2788 7.2788 8.1604 8.1604 9.0558 9.0558 9.4670 9.4670 9.9350 9.9350 9.9749 9.9749 10.1109 10.1109 10.1972 10.1972 10.6966 10.6966 11.4464 11.4464 12.3796 12.3796 12.4442 12.4442 12.4918 12.4918 12.7356 12.7356 k = 0.0000 0.2674 0.2562 ( 3952 PWs) bands (ev): -52.6087 -52.6087 -52.5053 -52.5053 -27.0568 -27.0568 -26.8858 -26.8858 -26.2833 -26.2833 -26.1666 -26.1666 -26.1024 -26.1024 -25.9414 -25.9414 2.7852 2.7852 2.9707 2.9707 7.2232 7.2232 7.2986 7.2986 8.0962 8.0962 9.0444 9.0444 9.4729 9.4729 9.9248 9.9248 9.9392 9.9392 10.1124 10.1124 10.2343 10.2343 10.7327 10.7327 11.4073 11.4073 12.3332 12.3332 12.4452 12.4452 12.4764 12.4764 12.7431 12.7431 k = 0.0000 0.2791 0.2562 ( 3960 PWs) bands (ev): -52.6066 -52.6066 -52.5074 -52.5074 -27.0526 -27.0526 -26.8885 -26.8885 -26.2766 -26.2766 -26.1663 -26.1663 -26.1050 -26.1050 -25.9489 -25.9489 2.8350 2.8350 3.0232 3.0232 7.1656 7.1656 7.3322 7.3322 8.0398 8.0398 9.0374 9.0374 9.4775 9.4775 9.8788 9.8788 9.9400 9.9400 10.1135 10.1135 10.2729 10.2729 10.7704 10.7704 11.3739 11.3739 12.2854 12.2854 12.3969 12.3969 12.5023 12.5023 12.7501 12.7501 k = 0.0000 0.2907 0.2562 ( 3960 PWs) bands (ev): -52.6044 -52.6044 -52.5096 -52.5096 -27.0482 -27.0482 -26.8913 -26.8913 -26.2698 -26.2698 -26.1660 -26.1660 -26.1076 -26.1076 -25.9566 -25.9566 2.8858 2.8858 3.0763 3.0763 7.1055 7.1055 7.3546 7.3546 7.9954 7.9954 9.0341 9.0341 9.4806 9.4806 9.8341 9.8341 9.9405 9.9405 10.1142 10.1142 10.3130 10.3130 10.8093 10.8093 11.3464 11.3464 12.2362 12.2362 12.3460 12.3460 12.5231 12.5231 12.7559 12.7559 k = 0.0000 0.3023 0.2562 ( 3960 PWs) bands (ev): -52.6021 -52.6021 -52.5119 -52.5119 -27.0438 -27.0438 -26.8942 -26.8942 -26.2627 -26.2627 -26.1655 -26.1655 -26.1103 -26.1103 -25.9646 -25.9646 2.9375 2.9375 3.1297 3.1297 7.0438 7.0438 7.3609 7.3609 7.9681 7.9681 9.0337 9.0337 9.4823 9.4823 9.7915 9.7915 9.9404 9.9404 10.1146 10.1146 10.3544 10.3544 10.8492 10.8492 11.3248 11.3248 12.1857 12.1857 12.2932 12.2932 12.5388 12.5388 12.7598 12.7598 k = 0.0000 0.3140 0.2562 ( 3976 PWs) bands (ev): -52.5997 -52.5997 -52.5142 -52.5142 -27.0393 -27.0393 -26.8972 -26.8972 -26.2554 -26.2554 -26.1651 -26.1651 -26.1129 -26.1129 -25.9727 -25.9727 2.9899 2.9899 3.1830 3.1830 6.9813 6.9813 7.3479 7.3479 7.9614 7.9614 9.0352 9.0352 9.4824 9.4824 9.7510 9.7510 9.9399 9.9399 10.1146 10.1146 10.3972 10.3972 10.8899 10.8899 11.3093 11.3093 12.1341 12.1341 12.2390 12.2390 12.5498 12.5498 12.7592 12.7592 k = 0.0000 0.3256 0.2562 ( 3968 PWs) bands (ev): -52.5973 -52.5973 -52.5165 -52.5165 -27.0347 -27.0347 -26.9004 -26.9004 -26.2480 -26.2480 -26.1645 -26.1645 -26.1155 -26.1155 -25.9810 -25.9810 3.0427 3.0427 3.2360 3.2360 6.9187 6.9187 7.3157 7.3157 7.9752 7.9752 9.0379 9.0379 9.4811 9.4811 9.7129 9.7129 9.9391 9.9391 10.1141 10.1141 10.4413 10.4413 10.9309 10.9309 11.2997 11.2997 12.0814 12.0814 12.1839 12.1839 12.5561 12.5561 12.7288 12.7288 k = 0.0000 0.3372 0.2562 ( 3962 PWs) bands (ev): -52.5949 -52.5949 -52.5190 -52.5190 -27.0300 -27.0300 -26.9037 -26.9037 -26.2403 -26.2403 -26.1639 -26.1639 -26.1181 -26.1181 -25.9894 -25.9894 3.0958 3.0958 3.2881 3.2881 6.8569 6.8569 7.2680 7.2680 8.0061 8.0061 9.0411 9.0411 9.4784 9.4784 9.6770 9.6770 9.9385 9.9385 10.1131 10.1131 10.4866 10.4866 10.9722 10.9722 11.2961 11.2961 12.0277 12.0277 12.1283 12.1283 12.5576 12.5576 12.6677 12.6677 k = 0.0000 0.3488 0.2562 ( 3962 PWs) bands (ev): -52.5924 -52.5924 -52.5215 -52.5215 -27.0253 -27.0253 -26.9071 -26.9071 -26.2325 -26.2325 -26.1633 -26.1633 -26.1207 -26.1207 -25.9980 -25.9980 3.1488 3.1488 3.3391 3.3391 6.7966 6.7966 7.2094 7.2094 8.0494 8.0494 9.0439 9.0439 9.4745 9.4745 9.6435 9.6435 9.9380 9.9380 10.1115 10.1115 10.5332 10.5332 11.0135 11.0135 11.2982 11.2982 11.9732 11.9732 12.0728 12.0728 12.5516 12.5516 12.6064 12.6064 k = 0.0000 0.3605 0.2562 ( 3964 PWs) bands (ev): -52.5898 -52.5898 -52.5240 -52.5240 -27.0205 -27.0205 -26.9106 -26.9106 -26.2245 -26.2245 -26.1626 -26.1626 -26.1232 -26.1232 -26.0067 -26.0067 3.2015 3.2015 3.3885 3.3885 6.7386 6.7386 7.1442 7.1442 8.1012 8.1012 9.0457 9.0457 9.4697 9.4697 9.6123 9.6123 9.9380 9.9380 10.1092 10.1092 10.5809 10.5809 11.0545 11.0545 11.3060 11.3060 11.9179 11.9179 12.0179 12.0179 12.5174 12.5174 12.5688 12.5688 k = 0.0000 0.3721 0.2562 ( 3956 PWs) bands (ev): -52.5872 -52.5872 -52.5266 -52.5266 -27.0156 -27.0156 -26.9143 -26.9143 -26.2163 -26.2163 -26.1617 -26.1617 -26.1257 -26.1257 -26.0156 -26.0156 3.2536 3.2536 3.4356 3.4356 6.6836 6.6836 7.0753 7.0753 8.1587 8.1587 9.0459 9.0459 9.4640 9.4640 9.5835 9.5835 9.9385 9.9385 10.1060 10.1060 10.6297 10.6297 11.0952 11.0952 11.3192 11.3192 11.8619 11.8619 11.9640 11.9640 12.4548 12.4548 12.5563 12.5563 k = 0.0000 0.3837 0.2562 ( 3956 PWs) bands (ev): -52.5846 -52.5846 -52.5292 -52.5292 -27.0107 -27.0107 -26.9181 -26.9181 -26.2080 -26.2080 -26.1608 -26.1608 -26.1282 -26.1282 -26.0245 -26.0245 3.3047 3.3047 3.4801 3.4801 6.6325 6.6325 7.0050 7.0050 8.2197 8.2197 9.0438 9.0438 9.4578 9.4578 9.5571 9.5571 9.9398 9.9398 10.1019 10.1019 10.6796 10.6796 11.1354 11.1354 11.3374 11.3374 11.8054 11.8054 11.9117 11.9117 12.3874 12.3874 12.5464 12.5464 k = 0.0000 0.3953 0.2562 ( 3960 PWs) bands (ev): -52.5819 -52.5819 -52.5318 -52.5318 -27.0058 -27.0058 -26.9220 -26.9220 -26.1997 -26.1997 -26.1598 -26.1598 -26.1306 -26.1306 -26.0336 -26.0336 3.3544 3.3544 3.5213 3.5213 6.5860 6.5860 6.9348 6.9348 8.2828 8.2828 9.0388 9.0388 9.4513 9.4513 9.5332 9.5332 9.9419 9.9419 10.0967 10.0967 10.7305 10.7305 11.1750 11.1750 11.3606 11.3606 11.7484 11.7484 11.8612 11.8612 12.3192 12.3192 12.5361 12.5361 k = 0.0000 0.4070 0.2562 ( 3972 PWs) bands (ev): -52.5792 -52.5792 -52.5345 -52.5345 -27.0009 -27.0009 -26.9260 -26.9260 -26.1912 -26.1912 -26.1587 -26.1587 -26.1329 -26.1329 -26.0427 -26.0427 3.4024 3.4024 3.5586 3.5586 6.5447 6.5447 6.8660 6.8660 8.3470 8.3470 9.0306 9.0306 9.4448 9.4448 9.5116 9.5116 9.9449 9.9449 10.0904 10.0904 10.7824 10.7824 11.2138 11.2138 11.3883 11.3883 11.6911 11.6911 11.8130 11.8130 12.2510 12.2510 12.5254 12.5254 k = 0.0000 0.4186 0.2562 ( 3976 PWs) bands (ev): -52.5765 -52.5765 -52.5372 -52.5372 -26.9959 -26.9959 -26.9302 -26.9302 -26.1827 -26.1827 -26.1574 -26.1574 -26.1352 -26.1352 -26.0519 -26.0519 3.4480 3.4480 3.5916 3.5916 6.5094 6.5094 6.7996 6.7996 8.4113 8.4113 9.0187 9.0187 9.4386 9.4386 9.4925 9.4925 9.9490 9.9490 10.0829 10.0829 10.8351 10.8351 11.2517 11.2517 11.4201 11.4201 11.6336 11.6336 11.7672 11.7672 12.1834 12.1834 12.5152 12.5152 k = 0.0000 0.4302 0.2562 ( 3968 PWs) bands (ev): -52.5737 -52.5737 -52.5400 -52.5400 -26.9909 -26.9909 -26.9344 -26.9344 -26.1743 -26.1743 -26.1559 -26.1559 -26.1374 -26.1374 -26.0612 -26.0612 3.4910 3.4910 3.6195 3.6195 6.4808 6.4808 6.7367 6.7367 8.4750 8.4750 9.0026 9.0026 9.4328 9.4328 9.4757 9.4757 9.9542 9.9542 10.0742 10.0742 10.8887 10.8887 11.2886 11.2886 11.4556 11.4556 11.5762 11.5762 11.7240 11.7240 12.1167 12.1167 12.5060 12.5060 k = 0.0000 0.4419 0.2562 ( 3978 PWs) bands (ev): -52.5709 -52.5709 -52.5428 -52.5428 -26.9860 -26.9860 -26.9387 -26.9387 -26.1663 -26.1663 -26.1537 -26.1537 -26.1395 -26.1395 -26.0705 -26.0705 3.5306 3.5306 3.6420 3.6420 6.4594 6.4594 6.6779 6.6779 8.5375 8.5375 8.9822 8.9822 9.4279 9.4279 9.4612 9.4612 9.9605 9.9605 10.0645 10.0645 10.9431 10.9431 11.3243 11.3243 11.4920 11.4920 11.5218 11.5218 11.6835 11.6835 12.0510 12.0510 12.4987 12.4987 k = 0.0000 0.4535 0.2562 ( 3976 PWs) bands (ev): -52.5681 -52.5681 -52.5455 -52.5455 -26.9811 -26.9811 -26.9431 -26.9431 -26.1598 -26.1598 -26.1499 -26.1499 -26.1415 -26.1415 -26.0798 -26.0798 3.5665 3.5665 3.6585 3.6585 6.4456 6.4456 6.6241 6.6241 8.5980 8.5980 8.9573 8.9573 9.4239 9.4239 9.4491 9.4491 9.9679 9.9679 10.0538 10.0538 10.9981 10.9981 11.3578 11.3578 11.4605 11.4605 11.5390 11.5390 11.6461 11.6461 11.9866 11.9866 12.4940 12.4940 k = 0.0000 0.4651 0.2562 ( 3970 PWs) bands (ev): -52.5653 -52.5653 -52.5483 -52.5483 -26.9761 -26.9761 -26.9476 -26.9476 -26.1559 -26.1559 -26.1448 -26.1448 -26.1420 -26.1420 -26.0891 -26.0891 3.5979 3.5979 3.6688 3.6688 6.4400 6.4400 6.5761 6.5761 8.6561 8.6561 8.9276 8.9276 9.4211 9.4211 9.4391 9.4391 9.9764 9.9764 10.0425 10.0425 11.0538 11.0538 11.3768 11.3768 11.4189 11.4189 11.5759 11.5759 11.6181 11.6181 11.9237 11.9237 12.4925 12.4925 k = 0.0000 0.4767 0.2562 ( 3970 PWs) bands (ev): -52.5625 -52.5625 -52.5512 -52.5512 -26.9713 -26.9713 -26.9522 -26.9522 -26.1535 -26.1535 -26.1459 -26.1459 -26.1346 -26.1346 -26.0984 -26.0984 3.6245 3.6245 3.6726 3.6726 6.4426 6.4426 6.5344 6.5344 8.7112 8.7112 8.8932 8.8932 9.4198 9.4198 9.4313 9.4313 9.9860 9.9860 10.0309 10.0309 11.1100 11.1100 11.3359 11.3359 11.4361 11.4361 11.5648 11.5648 11.6431 11.6431 11.8627 11.8627 12.4947 12.4948 k = 0.0000 0.4884 0.2562 ( 3976 PWs) bands (ev): -52.5597 -52.5597 -52.5540 -52.5540 -26.9664 -26.9664 -26.9569 -26.9569 -26.1515 -26.1515 -26.1478 -26.1478 -26.1259 -26.1259 -26.1076 -26.1076 3.6456 3.6456 3.6700 3.6700 6.4536 6.4536 6.4998 6.4998 8.7629 8.7629 8.8542 8.8542 9.4199 9.4199 9.4256 9.4256 9.9964 9.9964 10.0191 10.0191 11.1666 11.1666 11.2803 11.2803 11.4676 11.4676 11.5331 11.5331 11.6927 11.6927 11.8036 11.8036 12.5010 12.5010 k = 0.0000 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6609 3.6609 3.6609 3.6609 6.4727 6.4727 6.4727 6.4727 8.8106 8.8106 8.8106 8.8106 9.4218 9.4218 9.4218 9.4218 10.0075 10.0075 10.0075 10.0075 11.2235 11.2235 11.2235 11.2235 11.5003 11.5003 11.5003 11.5003 11.7468 11.7468 11.7468 11.7468 12.5114 12.5114 k = 0.0000 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6609 3.6609 3.6609 3.6609 6.4727 6.4727 6.4727 6.4727 8.8106 8.8106 8.8106 8.8106 9.4218 9.4218 9.4218 9.4218 10.0075 10.0075 10.0075 10.0075 11.2235 11.2235 11.2235 11.2235 11.5003 11.5003 11.5003 11.5003 11.7468 11.7468 11.7468 11.7468 12.5114 12.5114 k = 0.0116 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9618 -26.9618 -26.9617 -26.9617 -26.1517 -26.1517 -26.1505 -26.1505 -26.1158 -26.1158 -26.1147 -26.1147 3.6610 3.6610 3.6613 3.6613 6.4737 6.4737 6.4743 6.4743 8.8098 8.8098 8.8108 8.8108 9.4205 9.4205 9.4208 9.4208 10.0072 10.0072 10.0078 10.0078 11.2175 11.2175 11.2215 11.2215 11.4978 11.4978 11.5084 11.5084 11.7414 11.7414 11.7484 11.7484 12.5136 12.5141 k = 0.0233 0.5000 0.2562 ( 3980 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9621 -26.9621 -26.9620 -26.9620 -26.1558 -26.1558 -26.1538 -26.1538 -26.1121 -26.1121 -26.1103 -26.1103 3.6617 3.6617 3.6622 3.6622 6.4773 6.4773 6.4785 6.4785 8.8083 8.8083 8.8103 8.8103 9.4169 9.4169 9.4176 9.4176 10.0068 10.0068 10.0080 10.0080 11.2044 11.2044 11.2117 11.2117 11.5007 11.5007 11.5212 11.5212 11.7327 11.7327 11.7468 11.7468 12.5209 12.5219 k = 0.0349 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9627 -26.9627 -26.9624 -26.9624 -26.1611 -26.1611 -26.1586 -26.1586 -26.1068 -26.1068 -26.1046 -26.1046 3.6630 3.6630 3.6637 3.6637 6.4835 6.4835 6.4852 6.4852 8.8061 8.8061 8.8092 8.8092 9.4112 9.4112 9.4122 9.4122 10.0064 10.0064 10.0083 10.0083 11.1853 11.1853 11.1947 11.1947 11.5069 11.5069 11.5367 11.5367 11.7222 11.7222 11.7436 11.7436 12.5331 12.5346 k = 0.0465 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9634 -26.9634 -26.9631 -26.9631 -26.1668 -26.1668 -26.1642 -26.1642 -26.1006 -26.1006 -26.0982 -26.0982 3.6648 3.6648 3.6658 3.6658 6.4921 6.4921 6.4944 6.4944 8.8033 8.8033 8.8074 8.8074 9.4034 9.4034 9.4047 9.4047 10.0060 10.0060 10.0085 10.0085 11.1612 11.1612 11.1717 11.1717 11.5135 11.5135 11.5510 11.5510 11.7130 11.7131 11.7413 11.7413 12.5491 12.5497 k = 0.0581 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9644 -26.9644 -26.9639 -26.9639 -26.1728 -26.1728 -26.1700 -26.1700 -26.0938 -26.0938 -26.0915 -26.0915 3.6671 3.6671 3.6683 3.6683 6.5033 6.5033 6.5061 6.5061 8.7998 8.7998 8.8051 8.8051 9.3937 9.3937 9.3955 9.3955 10.0058 10.0058 10.0089 10.0089 11.1329 11.1329 11.1438 11.1438 11.5166 11.5166 11.5584 11.5584 11.7110 11.7110 11.7433 11.7433 12.5688 12.5710 k = 0.0698 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9655 -26.9655 -26.9650 -26.9650 -26.1788 -26.1788 -26.1759 -26.1759 -26.0868 -26.0868 -26.0845 -26.0845 3.6700 3.6700 3.6714 3.6714 6.5168 6.5168 6.5202 6.5202 8.7957 8.7957 8.8021 8.8021 9.3825 9.3825 9.3846 9.3846 10.0057 10.0057 10.0095 10.0095 11.1012 11.1012 11.1120 11.1120 11.5126 11.5126 11.5532 11.5532 11.7220 11.7220 11.7530 11.7530 12.5914 12.5934 k = 0.0814 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9668 -26.9668 -26.9662 -26.9662 -26.1848 -26.1848 -26.1819 -26.1819 -26.0797 -26.0797 -26.0773 -26.0773 3.6733 3.6733 3.6749 3.6749 6.5327 6.5327 6.5366 6.5366 8.7910 8.7910 8.7986 8.7986 9.3698 9.3698 9.3723 9.3723 10.0059 10.0059 10.0104 10.0104 11.0665 11.0665 11.0768 11.0768 11.5000 11.5000 11.5350 11.5350 11.7463 11.7463 11.7722 11.7722 12.6163 12.6179 k = 0.0930 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9683 -26.9683 -26.9677 -26.9677 -26.1908 -26.1908 -26.1878 -26.1878 -26.0724 -26.0724 -26.0701 -26.0701 3.6771 3.6771 3.6789 3.6789 6.5508 6.5508 6.5552 6.5552 8.7857 8.7857 8.7946 8.7946 9.3560 9.3560 9.3589 9.3589 10.0064 10.0064 10.0117 10.0117 11.0293 11.0293 11.0389 11.0389 11.4793 11.4793 11.5079 11.5079 11.7805 11.7805 11.8003 11.8003 12.6427 12.6440 k = 0.1047 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9699 -26.9699 -26.9692 -26.9692 -26.1966 -26.1966 -26.1936 -26.1936 -26.0650 -26.0650 -26.0628 -26.0628 3.6813 3.6813 3.6833 3.6833 6.5711 6.5711 6.5759 6.5759 8.7800 8.7800 8.7902 8.7902 9.3413 9.3413 9.3446 9.3446 10.0075 10.0075 10.0136 10.0136 10.9898 10.9898 10.9988 10.9988 11.4523 11.4523 11.4751 11.4751 11.8212 11.8212 11.8357 11.8357 12.6699 12.6712 k = 0.1163 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9718 -26.9718 -26.9710 -26.9710 -26.2023 -26.2023 -26.1993 -26.1993 -26.0577 -26.0577 -26.0554 -26.0554 3.6859 3.6859 3.6881 3.6881 6.5934 6.5934 6.5986 6.5986 8.7739 8.7739 8.7854 8.7854 9.3258 9.3258 9.3296 9.3296 10.0092 10.0092 10.0161 10.0161 10.9486 10.9486 10.9569 10.9569 11.4207 11.4207 11.4389 11.4389 11.8665 11.8665 11.8768 11.8768 12.6978 12.6979 k = 0.1279 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5567 -52.5567 -52.5567 -52.5567 -26.9737 -26.9737 -26.9729 -26.9729 -26.2078 -26.2078 -26.2048 -26.2048 -26.0503 -26.0503 -26.0481 -26.0481 3.6909 3.6909 3.6932 3.6932 6.6175 6.6175 6.6231 6.6231 8.7676 8.7676 8.7805 8.7805 9.3097 9.3097 9.3140 9.3140 10.0116 10.0116 10.0194 10.0194 10.9059 10.9059 10.9135 10.9135 11.3858 11.3858 11.4003 11.4003 11.9153 11.9153 11.9223 11.9223 12.7256 12.7257 k = 0.1395 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9758 -26.9758 -26.9749 -26.9749 -26.2132 -26.2132 -26.2102 -26.2102 -26.0430 -26.0430 -26.0409 -26.0409 3.6962 3.6962 3.6987 3.6987 6.6433 6.6433 6.6493 6.6493 8.7611 8.7611 8.7755 8.7755 9.2932 9.2932 9.2979 9.2979 10.0149 10.0149 10.0237 10.0237 10.8620 10.8620 10.8690 10.8690 11.3486 11.3486 11.3602 11.3602 11.9668 11.9668 11.9712 11.9712 12.7522 12.7526 k = 0.1512 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9780 -26.9780 -26.9771 -26.9771 -26.2184 -26.2184 -26.2154 -26.2154 -26.0357 -26.0357 -26.0336 -26.0336 3.7018 3.7018 3.7044 3.7044 6.6707 6.6707 6.6771 6.6771 8.7547 8.7547 8.7705 8.7705 9.2763 9.2763 9.2815 9.2815 10.0192 10.0192 10.0289 10.0289 10.8173 10.8173 10.8237 10.8237 11.3099 11.3099 11.3191 11.3191 12.0204 12.0204 12.0226 12.0226 12.7779 12.7784 k = 0.1628 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5566 -52.5566 -52.5566 -52.5566 -26.9803 -26.9803 -26.9794 -26.9794 -26.2235 -26.2235 -26.2205 -26.2205 -26.0284 -26.0284 -26.0265 -26.0265 3.7076 3.7076 3.7104 3.7104 6.6995 6.6995 6.7061 6.7061 8.7486 8.7486 8.7659 8.7659 9.2592 9.2592 9.2649 9.2649 10.0245 10.0245 10.0351 10.0351 10.7721 10.7721 10.7779 10.7779 11.2701 11.2701 11.2773 11.2773 12.0755 12.0755 12.0760 12.0760 12.8023 12.8027 k = 0.1744 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9828 -26.9828 -26.9818 -26.9818 -26.2283 -26.2283 -26.2254 -26.2254 -26.0213 -26.0213 -26.0194 -26.0194 3.7137 3.7137 3.7166 3.7166 6.7295 6.7295 6.7363 6.7363 8.7429 8.7429 8.7618 8.7618 9.2419 9.2419 9.2481 9.2481 10.0308 10.0308 10.0425 10.0425 10.7267 10.7267 10.7319 10.7319 11.2296 11.2296 11.2353 11.2353 12.1305 12.1305 12.1317 12.1317 12.8253 12.8253 k = 0.1860 0.5000 0.2562 ( 3964 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9853 -26.9853 -26.9843 -26.9843 -26.2330 -26.2330 -26.2301 -26.2301 -26.0142 -26.0142 -26.0124 -26.0124 3.7199 3.7199 3.7229 3.7229 6.7605 6.7605 6.7675 6.7675 8.7378 8.7378 8.7582 8.7582 9.2244 9.2244 9.2311 9.2311 10.0383 10.0383 10.0510 10.0510 10.6814 10.6814 10.6861 10.6861 11.1889 11.1889 11.1932 11.1932 12.1858 12.1858 12.1882 12.1882 12.8469 12.8481 k = 0.1977 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5565 -52.5565 -52.5565 -52.5565 -26.9879 -26.9879 -26.9868 -26.9868 -26.2375 -26.2375 -26.2346 -26.2346 -26.0073 -26.0073 -26.0056 -26.0056 3.7262 3.7262 3.7293 3.7293 6.7923 6.7923 6.7994 6.7994 8.7335 8.7335 8.7556 8.7556 9.2068 9.2068 9.2141 9.2141 10.0469 10.0469 10.0607 10.0607 10.6365 10.6365 10.6407 10.6407 11.1481 11.1481 11.1512 11.1512 12.2409 12.2409 12.2446 12.2446 12.8667 12.8671 k = 0.2093 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5564 -52.5564 -52.5564 -52.5564 -26.9905 -26.9905 -26.9894 -26.9894 -26.2418 -26.2418 -26.2390 -26.2390 -26.0005 -26.0005 -25.9988 -25.9988 3.7327 3.7327 3.7358 3.7358 6.8246 6.8246 6.8319 6.8319 8.7302 8.7302 8.7539 8.7539 9.1891 9.1891 9.1970 9.1970 10.0565 10.0565 10.0714 10.0714 10.5924 10.5924 10.5961 10.5961 11.1075 11.1075 11.1095 11.1095 12.2953 12.2953 12.3000 12.3000 12.8854 12.8856 k = 0.2209 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5564 -52.5564 -52.5564 -52.5564 -26.9932 -26.9932 -26.9921 -26.9921 -26.2459 -26.2459 -26.2431 -26.2431 -25.9939 -25.9939 -25.9922 -25.9922 3.7391 3.7391 3.7423 3.7423 6.8574 6.8574 6.8646 6.8646 8.7280 8.7280 8.7533 8.7533 9.1714 9.1714 9.1798 9.1798 10.0671 10.0671 10.0830 10.0830 10.5493 10.5493 10.5525 10.5525 11.0671 11.0671 11.0683 11.0683 12.3480 12.3480 12.3537 12.3537 12.9033 12.9034 k = 0.2326 0.5000 0.2562 ( 3964 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -26.9959 -26.9959 -26.9948 -26.9948 -26.2498 -26.2498 -26.2471 -26.2471 -25.9873 -25.9873 -25.9858 -25.9858 3.7456 3.7456 3.7487 3.7487 6.8903 6.8903 6.8975 6.8975 8.7271 8.7271 8.7540 8.7540 9.1537 9.1537 9.1627 9.1627 10.0783 10.0783 10.0953 10.0953 10.5077 10.5077 10.5102 10.5102 11.0273 11.0273 11.0277 11.0277 12.3982 12.3982 12.4046 12.4046 12.9209 12.9209 k = 0.2442 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -26.9986 -26.9986 -26.9975 -26.9975 -26.2535 -26.2535 -26.2509 -26.2509 -25.9810 -25.9810 -25.9796 -25.9796 3.7520 3.7520 3.7552 3.7552 6.9232 6.9232 6.9304 6.9304 8.7274 8.7274 8.7560 8.7560 9.1360 9.1360 9.1457 9.1457 10.0900 10.0900 10.1081 10.1081 10.4679 10.4679 10.4698 10.4698 10.9877 10.9877 10.9880 10.9880 12.4447 12.4447 12.4517 12.4517 12.9390 12.9391 k = 0.2558 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5563 -52.5563 -52.5563 -52.5563 -27.0013 -27.0013 -27.0003 -27.0003 -26.2570 -26.2570 -26.2545 -26.2545 -25.9749 -25.9749 -25.9735 -25.9735 3.7583 3.7583 3.7615 3.7615 6.9559 6.9559 6.9629 6.9629 8.7291 8.7291 8.7593 8.7593 9.1184 9.1184 9.1289 9.1289 10.1018 10.1018 10.1210 10.1210 10.4305 10.4305 10.4316 10.4316 10.9485 10.9485 10.9494 10.9494 12.4867 12.4867 12.4938 12.4938 12.9585 12.9593 k = 0.2674 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5562 -52.5562 -52.5562 -52.5562 -27.0040 -27.0040 -27.0030 -27.0030 -26.2604 -26.2604 -26.2580 -26.2580 -25.9690 -25.9690 -25.9676 -25.9676 3.7645 3.7645 3.7676 3.7676 6.9881 6.9881 6.9949 6.9949 8.7322 8.7322 8.7639 8.7639 9.1011 9.1011 9.1124 9.1124 10.1129 10.1129 10.1333 10.1333 10.3961 10.3961 10.3965 10.3965 10.9101 10.9101 10.9117 10.9117 12.5230 12.5230 12.5300 12.5300 12.9797 12.9797 k = 0.2791 0.5000 0.2562 ( 3980 PWs) bands (ev): -52.5562 -52.5562 -52.5562 -52.5562 -27.0067 -27.0067 -27.0057 -27.0057 -26.2636 -26.2636 -26.2612 -26.2612 -25.9632 -25.9632 -25.9620 -25.9620 3.7705 3.7705 3.7736 3.7736 7.0198 7.0198 7.0263 7.0263 8.7365 8.7365 8.7698 8.7698 9.0841 9.0841 9.0962 9.0962 10.1226 10.1226 10.1439 10.1439 10.3654 10.3654 10.3658 10.3658 10.8727 10.8727 10.8747 10.8747 12.5530 12.5530 12.5596 12.5596 13.0032 13.0051 k = 0.2907 0.5000 0.2562 ( 3980 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0093 -27.0093 -27.0083 -27.0083 -26.2665 -26.2665 -26.2643 -26.2643 -25.9577 -25.9577 -25.9565 -25.9565 3.7764 3.7764 3.7795 3.7795 7.0506 7.0506 7.0569 7.0569 8.7419 8.7419 8.7767 8.7767 9.0675 9.0675 9.0805 9.0805 10.1296 10.1296 10.1515 10.1515 10.3398 10.3398 10.3408 10.3408 10.8362 10.8362 10.8388 10.8388 12.5765 12.5765 12.5822 12.5822 13.0288 13.0290 k = 0.3023 0.5000 0.2562 ( 3980 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0119 -27.0119 -27.0109 -27.0109 -26.2693 -26.2693 -26.2672 -26.2672 -25.9524 -25.9524 -25.9513 -25.9513 3.7820 3.7820 3.7850 3.7850 7.0806 7.0806 7.0866 7.0866 8.7483 8.7483 8.7845 8.7845 9.0515 9.0515 9.0654 9.0654 10.1324 10.1324 10.1541 10.1541 10.3217 10.3217 10.3226 10.3226 10.8008 10.8008 10.8038 10.8038 12.5936 12.5936 12.5983 12.5983 13.0556 13.0562 k = 0.3140 0.5000 0.2562 ( 3988 PWs) bands (ev): -52.5561 -52.5561 -52.5561 -52.5561 -27.0144 -27.0144 -27.0135 -27.0135 -26.2719 -26.2719 -26.2699 -26.2699 -25.9474 -25.9474 -25.9464 -25.9464 3.7875 3.7875 3.7904 3.7904 7.1095 7.1095 7.1151 7.1151 8.7555 8.7555 8.7928 8.7928 9.0363 9.0363 9.0511 9.0511 10.1299 10.1299 10.1502 10.1502 10.3123 10.3123 10.3126 10.3126 10.7664 10.7664 10.7699 10.7699 12.6049 12.6049 12.6086 12.6086 13.0828 13.0831 k = 0.3256 0.5000 0.2562 ( 3984 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0168 -27.0168 -27.0159 -27.0159 -26.2744 -26.2744 -26.2724 -26.2724 -25.9426 -25.9426 -25.9417 -25.9417 3.7926 3.7926 3.7954 3.7954 7.1371 7.1371 7.1425 7.1425 8.7631 8.7631 8.8014 8.8014 9.0221 9.0221 9.0378 9.0378 10.1219 10.1219 10.1400 10.1400 10.3100 10.3100 10.3122 10.3122 10.7332 10.7332 10.7371 10.7371 12.6115 12.6115 12.6141 12.6141 13.1096 13.1115 k = 0.3372 0.5000 0.2562 ( 3984 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0191 -27.0191 -27.0183 -27.0183 -26.2766 -26.2766 -26.2748 -26.2748 -25.9381 -25.9381 -25.9372 -25.9372 3.7975 3.7975 3.8002 3.8002 7.1635 7.1635 7.1685 7.1685 8.7708 8.7708 8.8097 8.8097 9.0091 9.0091 9.0256 9.0256 10.1101 10.1101 10.1257 10.1257 10.3141 10.3141 10.3181 10.3181 10.7013 10.7013 10.7055 10.7055 12.6141 12.6141 12.6159 12.6159 13.1345 13.1377 k = 0.3488 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5560 -52.5560 -52.5560 -52.5560 -27.0213 -27.0213 -27.0205 -27.0205 -26.2787 -26.2787 -26.2770 -26.2770 -25.9339 -25.9339 -25.9330 -25.9330 3.8021 3.8021 3.8046 3.8046 7.1886 7.1886 7.1931 7.1931 8.7782 8.7782 8.8173 8.8173 8.9978 8.9978 9.0147 9.0147 10.0964 10.0964 10.1096 10.1096 10.3225 10.3225 10.3281 10.3281 10.6706 10.6706 10.6752 10.6752 12.6137 12.6137 12.6147 12.6147 13.1578 13.1607 k = 0.3605 0.5000 0.2562 ( 3984 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0234 -27.0234 -27.0227 -27.0227 -26.2806 -26.2806 -26.2790 -26.2790 -25.9299 -25.9299 -25.9291 -25.9291 3.8064 3.8064 3.8088 3.8088 7.2121 7.2121 7.2163 7.2163 8.7851 8.7851 8.8237 8.8237 8.9884 8.9884 9.0054 9.0054 10.0823 10.0823 10.0935 10.0935 10.3335 10.3335 10.3401 10.3401 10.6412 10.6412 10.6462 10.6462 12.6111 12.6111 12.6115 12.6115 13.1790 13.1794 k = 0.3721 0.5000 0.2562 ( 3980 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0254 -27.0254 -27.0247 -27.0247 -26.2824 -26.2824 -26.2809 -26.2809 -25.9262 -25.9262 -25.9255 -25.9255 3.8103 3.8103 3.8126 3.8126 7.2341 7.2341 7.2379 7.2379 8.7910 8.7910 8.8283 8.8283 8.9813 8.9813 8.9978 8.9978 10.0690 10.0690 10.0785 10.0785 10.3458 10.3458 10.3529 10.3529 10.6134 10.6134 10.6187 10.6187 12.6070 12.6070 12.6070 12.6070 13.1980 13.1990 k = 0.3837 0.5000 0.2562 ( 3976 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0272 -27.0272 -27.0266 -27.0266 -26.2839 -26.2839 -26.2826 -26.2826 -25.9228 -25.9228 -25.9222 -25.9222 3.8140 3.8140 3.8160 3.8160 7.2545 7.2545 7.2579 7.2579 8.7958 8.7958 8.8309 8.8309 8.9766 8.9766 8.9919 8.9919 10.0572 10.0572 10.0652 10.0652 10.3586 10.3586 10.3657 10.3657 10.5871 10.5871 10.5927 10.5927 12.6016 12.6016 12.6020 12.6020 13.2148 13.2162 k = 0.3953 0.5000 0.2562 ( 3988 PWs) bands (ev): -52.5559 -52.5559 -52.5559 -52.5559 -27.0289 -27.0289 -27.0283 -27.0283 -26.2853 -26.2853 -26.2841 -26.2841 -25.9198 -25.9198 -25.9192 -25.9192 3.8173 3.8173 3.8192 3.8192 7.2731 7.2731 7.2762 7.2762 8.7992 8.7992 8.8313 8.8313 8.9742 8.9742 8.9878 8.9878 10.0471 10.0471 10.0538 10.0538 10.3711 10.3711 10.3780 10.3780 10.5626 10.5626 10.5685 10.5685 12.5959 12.5959 12.5965 12.5965 13.2297 13.2309 k = 0.4070 0.5000 0.2562 ( 3984 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0304 -27.0304 -27.0299 -27.0299 -26.2866 -26.2866 -26.2855 -26.2855 -25.9170 -25.9170 -25.9165 -25.9165 3.8202 3.8202 3.8220 3.8220 7.2901 7.2901 7.2928 7.2928 8.8013 8.8013 8.8298 8.8298 8.9739 8.9739 8.9852 8.9852 10.0390 10.0390 10.0446 10.0446 10.3830 10.3830 10.3892 10.3892 10.5400 10.5400 10.5462 10.5462 12.5901 12.5901 12.5908 12.5908 13.2427 13.2436 k = 0.4186 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0318 -27.0318 -27.0313 -27.0313 -26.2877 -26.2877 -26.2867 -26.2867 -25.9145 -25.9145 -25.9141 -25.9141 3.8229 3.8229 3.8244 3.8244 7.3052 7.3052 7.3076 7.3076 8.8023 8.8023 8.8269 8.8269 8.9750 8.9750 8.9841 8.9841 10.0328 10.0328 10.0373 10.0373 10.3938 10.3938 10.3990 10.3990 10.5197 10.5197 10.5261 10.5261 12.5846 12.5846 12.5853 12.5853 13.2540 13.2545 k = 0.4302 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0329 -27.0329 -27.0325 -27.0325 -26.2886 -26.2886 -26.2878 -26.2878 -25.9123 -25.9123 -25.9120 -25.9120 3.8252 3.8252 3.8265 3.8265 7.3185 7.3185 7.3205 7.3205 8.8025 8.8025 8.8230 8.8230 8.9770 8.9770 8.9839 8.9839 10.0284 10.0284 10.0319 10.0319 10.4030 10.4030 10.4070 10.4070 10.5021 10.5021 10.5086 10.5086 12.5795 12.5795 12.5802 12.5802 13.2636 13.2641 k = 0.4419 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0339 -27.0339 -27.0336 -27.0336 -26.2894 -26.2894 -26.2887 -26.2887 -25.9105 -25.9105 -25.9102 -25.9102 3.8272 3.8272 3.8282 3.8282 7.3299 7.3299 7.3315 7.3315 8.8021 8.8021 8.8187 8.8187 8.9794 8.9794 8.9845 8.9845 10.0254 10.0254 10.0281 10.0281 10.4101 10.4101 10.4129 10.4129 10.4876 10.4876 10.4942 10.4942 12.5750 12.5750 12.5757 12.5757 13.2718 13.2719 k = 0.4535 0.5000 0.2562 ( 3968 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0348 -27.0348 -27.0345 -27.0345 -26.2900 -26.2900 -26.2895 -26.2895 -25.9090 -25.9090 -25.9087 -25.9087 3.8288 3.8288 3.8297 3.8297 7.3393 7.3393 7.3406 7.3406 8.8015 8.8015 8.8145 8.8145 8.9818 8.9818 8.9853 8.9853 10.0237 10.0237 10.0256 10.0256 10.4148 10.4148 10.4163 10.4163 10.4768 10.4768 10.4831 10.4831 12.5712 12.5712 12.5718 12.5718 13.2781 13.2781 k = 0.4651 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0354 -27.0354 -27.0352 -27.0352 -26.2905 -26.2905 -26.2901 -26.2901 -25.9078 -25.9078 -25.9076 -25.9076 3.8301 3.8301 3.8307 3.8307 7.3467 7.3467 7.3477 7.3477 8.8011 8.8011 8.8106 8.8106 8.9839 8.9839 8.9862 8.9862 10.0228 10.0228 10.0241 10.0241 10.4168 10.4168 10.4174 10.4174 10.4702 10.4702 10.4757 10.4757 12.5683 12.5683 12.5688 12.5688 13.2830 13.2831 k = 0.4767 0.5000 0.2562 ( 3988 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0358 -27.0358 -27.0357 -27.0357 -26.2908 -26.2908 -26.2905 -26.2905 -25.9070 -25.9070 -25.9068 -25.9068 3.8310 3.8310 3.8315 3.8315 7.3520 7.3520 7.3527 7.3527 8.8010 8.8010 8.8072 8.8072 8.9856 8.9856 8.9870 8.9870 10.0225 10.0225 10.0233 10.0233 10.4166 10.4166 10.4168 10.4168 10.4672 10.4672 10.4711 10.4711 12.5662 12.5662 12.5665 12.5665 13.2864 13.2865 k = 0.4884 0.5000 0.2562 ( 4004 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0361 -27.0361 -27.0360 -27.0360 -26.2910 -26.2910 -26.2908 -26.2908 -25.9064 -25.9064 -25.9064 -25.9064 3.8316 3.8316 3.8319 3.8319 7.3553 7.3553 7.3557 7.3557 8.8015 8.8015 8.8046 8.8046 8.9867 8.9867 8.9874 8.9874 10.0225 10.0225 10.0229 10.0229 10.4157 10.4157 10.4157 10.4157 10.4665 10.4665 10.4686 10.4686 12.5649 12.5649 12.5651 12.5651 13.2885 13.2886 k = 0.5000 0.5000 0.2562 ( 4008 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0362 -27.0362 -27.0362 -27.0362 -26.2910 -26.2910 -26.2910 -26.2910 -25.9063 -25.9063 -25.9063 -25.9063 3.8319 3.8319 3.8319 3.8319 7.3565 7.3565 7.3565 7.3565 8.8027 8.8027 8.8027 8.8027 8.9873 8.9873 8.9873 8.9873 10.0226 10.0226 10.0226 10.0226 10.4153 10.4153 10.4153 10.4153 10.4672 10.4672 10.4672 10.4672 12.5645 12.5645 12.5645 12.5645 13.2892 13.2892 k = 0.5000 0.5000 0.2562 ( 4008 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0362 -27.0362 -27.0362 -27.0362 -26.2910 -26.2910 -26.2910 -26.2910 -25.9063 -25.9063 -25.9063 -25.9063 3.8319 3.8319 3.8319 3.8319 7.3565 7.3565 7.3565 7.3565 8.8027 8.8027 8.8027 8.8027 8.9873 8.9873 8.9873 8.9873 10.0226 10.0226 10.0226 10.0226 10.4153 10.4153 10.4153 10.4153 10.4672 10.4672 10.4672 10.4672 12.5645 12.5645 12.5645 12.5645 13.2892 13.2892 k = 0.4918 0.4918 0.2562 ( 4004 PWs) bands (ev): -52.5558 -52.5558 -52.5557 -52.5557 -27.0362 -27.0362 -27.0360 -27.0360 -26.2910 -26.2910 -26.2908 -26.2908 -25.9066 -25.9066 -25.9063 -25.9063 3.8316 3.8316 3.8319 3.8319 7.3533 7.3533 7.3577 7.3577 8.8009 8.8009 8.8051 8.8051 8.9867 8.9867 8.9874 8.9874 10.0215 10.0215 10.0239 10.0239 10.4146 10.4146 10.4169 10.4169 10.4664 10.4664 10.4687 10.4687 12.5646 12.5646 12.5653 12.5653 13.2884 13.2887 k = 0.4836 0.4836 0.2562 ( 3992 PWs) bands (ev): -52.5560 -52.5560 -52.5555 -52.5555 -27.0362 -27.0362 -27.0354 -27.0354 -26.2909 -26.2909 -26.2904 -26.2904 -25.9075 -25.9075 -25.9063 -25.9063 3.8309 3.8309 3.8315 3.8315 7.3438 7.3438 7.3611 7.3611 8.7977 8.7977 8.8106 8.8106 8.9853 8.9853 8.9869 8.9869 10.0183 10.0183 10.0276 10.0276 10.4126 10.4126 10.4219 10.4219 10.4659 10.4659 10.4713 10.4713 12.5650 12.5650 12.5677 12.5677 13.2854 13.2858 k = 0.4754 0.4754 0.2562 ( 3974 PWs) bands (ev): -52.5562 -52.5562 -52.5553 -52.5553 -27.0362 -27.0362 -27.0344 -27.0344 -26.2907 -26.2907 -26.2898 -26.2898 -25.9090 -25.9090 -25.9064 -25.9064 3.8298 3.8298 3.8308 3.8308 7.3285 7.3285 7.3669 7.3669 8.7928 8.7928 8.8191 8.8191 8.9823 8.9823 8.9862 8.9862 10.0137 10.0137 10.0336 10.0336 10.4093 10.4093 10.4302 10.4302 10.4654 10.4654 10.4751 10.4751 12.5656 12.5656 12.5716 12.5716 13.2797 13.2799 k = 0.4672 0.4672 0.2562 ( 3968 PWs) bands (ev): -52.5566 -52.5566 -52.5549 -52.5549 -27.0363 -27.0363 -27.0330 -27.0330 -26.2905 -26.2905 -26.2890 -26.2890 -25.9111 -25.9111 -25.9066 -25.9066 3.8282 3.8282 3.8298 3.8298 7.3081 7.3081 7.3749 7.3749 8.7867 8.7867 8.8301 8.8301 8.9770 8.9770 8.9852 8.9852 10.0088 10.0088 10.0415 10.0415 10.4051 10.4051 10.4417 10.4417 10.4648 10.4648 10.4798 10.4798 12.5667 12.5667 12.5770 12.5770 13.2724 13.2724 k = 0.4590 0.4590 0.2562 ( 3972 PWs) bands (ev): -52.5571 -52.5571 -52.5545 -52.5545 -27.0363 -27.0363 -27.0312 -27.0312 -26.2902 -26.2902 -26.2879 -26.2879 -25.9138 -25.9138 -25.9068 -25.9068 3.8260 3.8260 3.8282 3.8282 7.2834 7.2834 7.3851 7.3851 8.7796 8.7796 8.8427 8.8427 8.9685 8.9685 8.9840 8.9840 10.0049 10.0049 10.0508 10.0508 10.4002 10.4002 10.4561 10.4561 10.4644 10.4644 10.4852 10.4852 12.5684 12.5684 12.5840 12.5840 13.2629 13.2630 k = 0.4508 0.4508 0.2562 ( 3972 PWs) bands (ev): -52.5576 -52.5576 -52.5540 -52.5540 -27.0364 -27.0364 -27.0291 -27.0291 -26.2899 -26.2899 -26.2866 -26.2866 -25.9171 -25.9171 -25.9071 -25.9071 3.8232 3.8232 3.8260 3.8260 7.2553 7.2553 7.3976 7.3976 8.7721 8.7721 8.8560 8.8560 8.9562 8.9562 8.9825 8.9825 10.0031 10.0031 10.0609 10.0609 10.3949 10.3949 10.4632 10.4632 10.4738 10.4738 10.4915 10.4915 12.5708 12.5708 12.5924 12.5924 13.2516 13.2517 k = 0.4426 0.4426 0.2562 ( 3970 PWs) bands (ev): -52.5583 -52.5583 -52.5533 -52.5533 -27.0365 -27.0365 -27.0266 -27.0266 -26.2895 -26.2895 -26.2850 -26.2850 -25.9210 -25.9210 -25.9073 -25.9073 3.8197 3.8197 3.8230 3.8230 7.2250 7.2250 7.4123 7.4123 8.7643 8.7643 8.8684 8.8684 8.9405 8.9405 8.9809 8.9809 10.0045 10.0045 10.0710 10.0710 10.3899 10.3899 10.4627 10.4627 10.4893 10.4893 10.5024 10.5024 12.5742 12.5742 12.6024 12.6024 13.2385 13.2385 k = 0.4344 0.4344 0.2562 ( 3978 PWs) bands (ev): -52.5591 -52.5591 -52.5526 -52.5526 -27.0367 -27.0367 -27.0238 -27.0238 -26.2890 -26.2890 -26.2832 -26.2832 -25.9254 -25.9254 -25.9077 -25.9077 3.8155 3.8155 3.8189 3.8189 7.1935 7.1935 7.4292 7.4292 8.7561 8.7561 8.8764 8.8764 8.9241 8.9241 8.9791 8.9791 10.0099 10.0099 10.0802 10.0802 10.3859 10.3859 10.4620 10.4620 10.4970 10.4970 10.5242 10.5242 12.5787 12.5787 12.6138 12.6138 13.2236 13.2236 k = 0.4262 0.4262 0.2562 ( 3978 PWs) bands (ev): -52.5599 -52.5599 -52.5518 -52.5518 -27.0368 -27.0368 -27.0207 -27.0207 -26.2885 -26.2885 -26.2812 -26.2812 -25.9303 -25.9303 -25.9080 -25.9080 3.8103 3.8103 3.8137 3.8137 7.1616 7.1616 7.4483 7.4483 8.7466 8.7466 8.8705 8.8705 8.9167 8.9167 8.9772 8.9772 10.0197 10.0197 10.0875 10.0875 10.3834 10.3834 10.4614 10.4614 10.5020 10.5020 10.5516 10.5516 12.5847 12.5847 12.6267 12.6267 13.2071 13.2071 k = 0.4180 0.4180 0.2562 ( 3974 PWs) bands (ev): -52.5609 -52.5609 -52.5508 -52.5508 -27.0370 -27.0370 -27.0172 -27.0172 -26.2879 -26.2879 -26.2788 -26.2788 -25.9357 -25.9357 -25.9084 -25.9084 3.8042 3.8042 3.8070 3.8070 7.1304 7.1304 7.4694 7.4694 8.7341 8.7341 8.8500 8.8500 8.9208 8.9208 8.9752 8.9752 10.0339 10.0339 10.0923 10.0923 10.3830 10.3830 10.4607 10.4607 10.5063 10.5063 10.5827 10.5827 12.5924 12.5924 12.6410 12.6410 13.1892 13.1892 k = 0.4098 0.4098 0.2562 ( 3980 PWs) bands (ev): -52.5620 -52.5620 -52.5498 -52.5498 -27.0372 -27.0372 -27.0135 -27.0135 -26.2873 -26.2873 -26.2763 -26.2763 -25.9417 -25.9417 -25.9088 -25.9088 3.7969 3.7969 3.7986 3.7986 7.1007 7.1007 7.4927 7.4927 8.7150 8.7150 8.8279 8.8279 8.9269 8.9269 8.9732 8.9732 10.0518 10.0518 10.0940 10.0940 10.3852 10.3852 10.4601 10.4601 10.5104 10.5104 10.6171 10.6171 12.6019 12.6019 12.6565 12.6565 13.1701 13.1701 k = 0.4016 0.4016 0.2562 ( 3972 PWs) bands (ev): -52.5631 -52.5631 -52.5488 -52.5488 -27.0375 -27.0375 -27.0095 -27.0095 -26.2867 -26.2867 -26.2734 -26.2734 -25.9481 -25.9481 -25.9093 -25.9093 3.7879 3.7879 3.7887 3.7887 7.0733 7.0733 7.5180 7.5180 8.6856 8.6856 8.8121 8.8121 8.9315 8.9315 8.9712 8.9712 10.0716 10.0716 10.0941 10.0941 10.3899 10.3899 10.4596 10.4596 10.5147 10.5147 10.6548 10.6548 12.6134 12.6134 12.6733 12.6733 13.1499 13.1499 k = 0.3934 0.3934 0.2562 ( 3972 PWs) bands (ev): -52.5643 -52.5643 -52.5476 -52.5476 -27.0378 -27.0378 -27.0052 -27.0052 -26.2861 -26.2861 -26.2703 -26.2703 -25.9549 -25.9549 -25.9097 -25.9097 3.7757 3.7757 3.7786 3.7786 7.0489 7.0489 7.5453 7.5453 8.6456 8.6456 8.8046 8.8046 8.9335 8.9335 8.9689 8.9689 10.0808 10.0808 10.1040 10.1040 10.3966 10.3966 10.4590 10.4590 10.5200 10.5200 10.6956 10.6956 12.6273 12.6273 12.6912 12.6912 13.1291 13.1291 k = 0.3852 0.3852 0.2562 ( 3980 PWs) bands (ev): -52.5657 -52.5657 -52.5463 -52.5463 -27.0381 -27.0381 -27.0008 -27.0008 -26.2854 -26.2854 -26.2670 -26.2670 -25.9621 -25.9621 -25.9102 -25.9102 3.7609 3.7609 3.7672 3.7672 7.0280 7.0280 7.5746 7.5746 8.5980 8.5980 8.8037 8.8037 8.9324 8.9324 8.9661 8.9661 10.0756 10.0756 10.1270 10.1270 10.4046 10.4046 10.4585 10.4585 10.5272 10.5272 10.7394 10.7394 12.6435 12.6435 12.7100 12.7100 13.1077 13.1077 k = 0.3770 0.3770 0.2562 ( 3988 PWs) bands (ev): -52.5670 -52.5670 -52.5450 -52.5450 -27.0385 -27.0385 -26.9961 -26.9961 -26.2847 -26.2847 -26.2633 -26.2633 -25.9697 -25.9697 -25.9107 -25.9107 3.7435 3.7435 3.7541 3.7541 7.0112 7.0112 7.6058 7.6058 8.5456 8.5456 8.8075 8.8075 8.9282 8.9282 8.9625 8.9625 10.0671 10.0671 10.1513 10.1513 10.4130 10.4130 10.4579 10.4579 10.5375 10.5375 10.7863 10.7863 12.6623 12.6623 12.7294 12.7294 13.0441 13.0442 k = 0.3689 0.3689 0.2562 ( 3978 PWs) bands (ev): -52.5685 -52.5685 -52.5436 -52.5436 -27.0389 -27.0389 -26.9913 -26.9913 -26.2840 -26.2840 -26.2594 -26.2594 -25.9776 -25.9776 -25.9112 -25.9112 3.7235 3.7235 3.7394 3.7394 6.9989 6.9989 7.6388 7.6388 8.4906 8.4906 8.8150 8.8150 8.9208 8.9208 8.9581 8.9581 10.0577 10.0577 10.1737 10.1737 10.4212 10.4212 10.4572 10.4572 10.5523 10.5523 10.8361 10.8361 12.6837 12.6837 12.7491 12.7491 12.9576 12.9576 k = 0.3607 0.3607 0.2562 ( 3974 PWs) bands (ev): -52.5701 -52.5701 -52.5422 -52.5422 -27.0394 -27.0394 -26.9863 -26.9863 -26.2833 -26.2833 -26.2552 -26.2552 -25.9859 -25.9859 -25.9117 -25.9117 3.7006 3.7006 3.7227 3.7227 6.9914 6.9914 7.6737 7.6737 8.4342 8.4342 8.8251 8.8251 8.9097 8.9097 8.9534 8.9534 10.0485 10.0485 10.1924 10.1924 10.4283 10.4283 10.4563 10.4563 10.5729 10.5729 10.8888 10.8888 12.7079 12.7079 12.7683 12.7683 12.8734 12.8734 k = 0.3525 0.3525 0.2562 ( 3966 PWs) bands (ev): -52.5716 -52.5716 -52.5406 -52.5406 -27.0400 -27.0400 -26.9812 -26.9812 -26.2826 -26.2826 -26.2508 -26.2508 -25.9944 -25.9944 -25.9121 -25.9121 3.6749 3.6749 3.7041 3.7041 6.9889 6.9889 7.7104 7.7104 8.3775 8.3775 8.8368 8.8368 8.8954 8.8954 8.9488 8.9488 10.0403 10.0403 10.2060 10.2060 10.4339 10.4339 10.4552 10.4552 10.6003 10.6003 10.9441 10.9441 12.7346 12.7346 12.7785 12.7785 12.7992 12.7992 k = 0.3443 0.3443 0.2562 ( 3966 PWs) bands (ev): -52.5733 -52.5733 -52.5391 -52.5391 -27.0406 -27.0406 -26.9760 -26.9760 -26.2820 -26.2820 -26.2460 -26.2460 -26.0031 -26.0031 -25.9126 -25.9126 3.6463 3.6463 3.6833 3.6833 6.9914 6.9914 7.7489 7.7489 8.3213 8.3213 8.8447 8.8447 8.8827 8.8827 8.9448 8.9448 10.0338 10.0338 10.2141 10.2141 10.4374 10.4374 10.4537 10.4537 10.6349 10.6349 11.0021 11.0021 12.7081 12.7081 12.7643 12.7643 12.8049 12.8049 k = 0.3361 0.3361 0.2562 ( 3966 PWs) bands (ev): -52.5750 -52.5750 -52.5374 -52.5374 -27.0413 -27.0413 -26.9708 -26.9708 -26.2814 -26.2814 -26.2411 -26.2411 -26.0120 -26.0120 -25.9130 -25.9130 3.6149 3.6149 3.6605 3.6605 6.9989 6.9989 7.7890 7.7890 8.2663 8.2663 8.8336 8.8336 8.8863 8.8863 8.9418 8.9418 10.0293 10.0293 10.2170 10.2170 10.4387 10.4387 10.4518 10.4518 10.6762 10.6762 11.0626 11.0626 12.6305 12.6305 12.7963 12.7963 12.8161 12.8161 k = 0.3279 0.3279 0.2562 ( 3966 PWs) bands (ev): -52.5768 -52.5768 -52.5357 -52.5357 -27.0421 -27.0421 -26.9655 -26.9655 -26.2808 -26.2808 -26.2358 -26.2358 -26.0210 -26.0210 -25.9134 -25.9134 3.5807 3.5807 3.6354 3.6354 7.0114 7.0114 7.8308 7.8308 8.2129 8.2129 8.8072 8.8072 8.9011 8.9011 8.9417 8.9417 10.0271 10.0271 10.2153 10.2153 10.4377 10.4377 10.4491 10.4491 10.7233 10.7233 11.1254 11.1254 12.5546 12.5546 12.8213 12.8213 12.8309 12.8309 k = 0.3197 0.3197 0.2562 ( 3972 PWs) bands (ev): -52.5786 -52.5786 -52.5340 -52.5340 -27.0429 -27.0429 -26.9602 -26.9602 -26.2803 -26.2803 -26.2304 -26.2304 -26.0302 -26.0302 -25.9138 -25.9138 3.5438 3.5438 3.6081 3.6081 7.0284 7.0284 7.8741 7.8741 8.1616 8.1616 8.7747 8.7747 8.9133 8.9133 8.9498 8.9498 10.0275 10.0275 10.2100 10.2100 10.4345 10.4345 10.4455 10.4455 10.7754 10.7754 11.1903 11.1903 12.4810 12.4810 12.8200 12.8200 12.8677 12.8677 k = 0.3115 0.3115 0.2562 ( 3970 PWs) bands (ev): -52.5805 -52.5805 -52.5322 -52.5322 -27.0439 -27.0439 -26.9549 -26.9549 -26.2799 -26.2799 -26.2247 -26.2247 -26.0393 -26.0393 -25.9141 -25.9141 3.5045 3.5045 3.5786 3.5786 7.0497 7.0497 7.9188 7.9188 8.1129 8.1129 8.7384 8.7384 8.9167 8.9167 8.9702 8.9702 10.0303 10.0303 10.2020 10.2020 10.4292 10.4292 10.4408 10.4408 10.8315 10.8315 11.2571 11.2571 12.4096 12.4096 12.8132 12.8132 12.9066 12.9066 k = 0.3033 0.3033 0.2562 ( 3974 PWs) bands (ev): -52.5824 -52.5824 -52.5304 -52.5304 -27.0449 -27.0449 -26.9497 -26.9497 -26.2796 -26.2796 -26.2187 -26.2187 -26.0485 -26.0485 -25.9143 -25.9143 3.4628 3.4628 3.5468 3.5468 7.0746 7.0746 7.9644 7.9644 8.0675 8.0675 8.6995 8.6995 8.9160 8.9160 8.9979 8.9979 10.0357 10.0357 10.1920 10.1920 10.4218 10.4218 10.4350 10.4350 10.8908 10.8908 11.3256 11.3256 12.3405 12.3405 12.8028 12.8028 12.9473 12.9473 k = 0.2951 0.2951 0.2562 ( 3982 PWs) bands (ev): -52.5844 -52.5844 -52.5285 -52.5285 -27.0460 -27.0460 -26.9445 -26.9445 -26.2795 -26.2795 -26.2126 -26.2126 -26.0576 -26.0576 -25.9145 -25.9145 3.4191 3.4191 3.5129 3.5129 7.1027 7.1027 8.0024 8.0024 8.0340 8.0340 8.6592 8.6592 8.9142 8.9142 9.0298 9.0298 10.0434 10.0434 10.1808 10.1808 10.4122 10.4122 10.4280 10.4280 10.9528 10.9528 11.3954 11.3954 12.2738 12.2738 12.7907 12.7907 12.9896 12.9896 k = 0.2869 0.2869 0.2562 ( 3982 PWs) bands (ev): -52.5863 -52.5863 -52.5266 -52.5266 -27.0472 -27.0472 -26.9394 -26.9394 -26.2794 -26.2794 -26.2063 -26.2063 -26.0666 -26.0666 -25.9146 -25.9146 3.3736 3.3736 3.4769 3.4769 7.1329 7.1329 7.9778 7.9778 8.0676 8.0676 8.6186 8.6186 8.9122 8.9122 9.0646 9.0646 10.0533 10.0533 10.1690 10.1690 10.4006 10.4006 10.4199 10.4199 11.0169 11.0169 11.4662 11.4662 12.2096 12.2096 12.7782 12.7782 13.0329 13.0329 k = 0.2787 0.2787 0.2562 ( 3966 PWs) bands (ev): -52.5883 -52.5883 -52.5247 -52.5247 -27.0485 -27.0485 -26.9343 -26.9343 -26.2796 -26.2796 -26.1998 -26.1998 -26.0754 -26.0754 -25.9146 -25.9146 3.3265 3.3265 3.4389 3.4389 7.1643 7.1643 7.9412 7.9412 8.1175 8.1175 8.5789 8.5789 8.9105 8.9105 9.1019 9.1019 10.0652 10.0652 10.1570 10.1570 10.3870 10.3870 10.4105 10.4105 11.0826 11.0826 11.5377 11.5377 12.1481 12.1481 12.7661 12.7661 13.0768 13.0768 k = 0.2705 0.2705 0.2562 ( 3966 PWs) bands (ev): -52.5904 -52.5904 -52.5228 -52.5228 -27.0500 -27.0500 -26.9294 -26.9294 -26.2799 -26.2799 -26.1932 -26.1932 -26.0840 -26.0840 -25.9145 -25.9145 3.2781 3.2781 3.3990 3.3990 7.1959 7.1959 7.9066 7.9066 8.1697 8.1697 8.5413 8.5413 8.9092 8.9092 9.1415 9.1415 10.0788 10.0788 10.1453 10.1453 10.3717 10.3717 10.3998 10.3998 11.1497 11.1497 11.6094 11.6094 12.0894 12.0894 12.7549 12.7549 13.1077 13.1077 k = 0.2623 0.2623 0.2562 ( 3970 PWs) bands (ev): -52.5924 -52.5924 -52.5208 -52.5208 -27.0515 -27.0515 -26.9247 -26.9247 -26.2805 -26.2805 -26.1865 -26.1865 -26.0924 -26.0924 -25.9142 -25.9142 3.2287 3.2287 3.3575 3.3575 7.2261 7.2261 7.8747 7.8747 8.2237 8.2237 8.5075 8.5075 8.9084 8.9084 9.1831 9.1831 10.0939 10.0939 10.1343 10.1343 10.3550 10.3550 10.3875 10.3875 11.2180 11.2180 11.6807 11.6807 12.0338 12.0338 12.7450 12.7450 13.1001 13.1001 k = 0.2541 0.2541 0.2562 ( 3962 PWs) bands (ev): -52.5944 -52.5944 -52.5189 -52.5189 -27.0531 -27.0531 -26.9200 -26.9200 -26.2813 -26.2813 -26.1797 -26.1797 -26.1004 -26.1004 -25.9138 -25.9138 3.1784 3.1784 3.3144 3.3144 7.2535 7.2535 7.8454 7.8454 8.2791 8.2791 8.4789 8.4789 8.9082 8.9082 9.2264 9.2264 10.1102 10.1102 10.1246 10.1246 10.3370 10.3370 10.3737 10.3737 11.2870 11.2870 11.7511 11.7511 11.9813 11.9813 12.7367 12.7367 13.0917 13.0917 k = 0.2459 0.2459 0.2562 ( 3962 PWs) bands (ev): -52.5964 -52.5964 -52.5169 -52.5169 -27.0548 -27.0548 -26.9156 -26.9156 -26.2824 -26.2824 -26.1729 -26.1729 -26.1080 -26.1080 -25.9133 -25.9133 3.1277 3.1277 3.2699 3.2699 7.2764 7.2764 7.8187 7.8187 8.3360 8.3360 8.4571 8.4571 8.9086 8.9086 9.2712 9.2712 10.1160 10.1160 10.1279 10.1279 10.3180 10.3180 10.3583 10.3583 11.3566 11.3566 11.8198 11.8198 11.9324 11.9324 12.7300 12.7300 13.0832 13.0832 k = 0.2377 0.2377 0.2562 ( 3962 PWs) bands (ev): -52.5985 -52.5985 -52.5150 -52.5150 -27.0566 -27.0566 -26.9113 -26.9113 -26.2838 -26.2838 -26.1660 -26.1660 -26.1152 -26.1152 -25.9126 -25.9126 3.0766 3.0766 3.2244 3.2244 7.2934 7.2934 7.7945 7.7945 8.3938 8.3938 8.4441 8.4441 8.9098 8.9098 9.3172 9.3172 10.1097 10.1097 10.1456 10.1456 10.2985 10.2985 10.3412 10.3412 11.4266 11.4266 11.8860 11.8860 11.8874 11.8874 12.7251 12.7251 13.0749 13.0749 k = 0.2295 0.2295 0.2562 ( 3966 PWs) bands (ev): -52.6005 -52.6005 -52.5130 -52.5130 -27.0585 -27.0585 -26.9071 -26.9071 -26.2855 -26.2855 -26.1592 -26.1592 -26.1220 -26.1220 -25.9118 -25.9118 3.0254 3.0254 3.1779 3.1779 7.3031 7.3031 7.7726 7.7726 8.4365 8.4365 8.4571 8.4571 8.9118 8.9118 9.3640 9.3640 10.1056 10.1056 10.1633 10.1633 10.2791 10.2791 10.3225 10.3225 11.4967 11.4967 11.8466 11.8466 11.9489 11.9489 12.7219 12.7219 13.0669 13.0669 k = 0.2213 0.2213 0.2562 ( 3962 PWs) bands (ev): -52.6025 -52.6025 -52.5111 -52.5111 -27.0605 -27.0605 -26.9032 -26.9032 -26.2875 -26.2875 -26.1524 -26.1524 -26.1282 -26.1282 -25.9107 -25.9107 2.9744 2.9744 3.1306 3.1306 7.3047 7.3047 7.7529 7.7529 8.4445 8.4445 8.5164 8.5164 8.9147 8.9147 9.4111 9.4111 10.1043 10.1043 10.1788 10.1788 10.2618 10.2618 10.3022 10.3022 11.5664 11.5664 11.8108 11.8108 12.0074 12.0074 12.7204 12.7204 13.0593 13.0593 k = 0.2131 0.2131 0.2562 ( 3960 PWs) bands (ev): -52.6045 -52.6045 -52.5092 -52.5092 -27.0625 -27.0625 -26.8994 -26.8994 -26.2899 -26.2899 -26.1458 -26.1458 -26.1339 -26.1339 -25.9094 -25.9094 2.9238 2.9238 3.0830 3.0830 7.2979 7.2979 7.7351 7.7351 8.4609 8.4609 8.5788 8.5788 8.9185 8.9185 9.4582 9.4582 10.1061 10.1061 10.1872 10.1872 10.2515 10.2515 10.2802 10.2802 11.6344 11.6344 11.7816 11.7816 12.0603 12.0603 12.7204 12.7204 13.0523 13.0523 k = 0.2049 0.2049 0.2562 ( 3952 PWs) bands (ev): -52.6065 -52.6065 -52.5073 -52.5073 -27.0647 -27.0647 -26.8958 -26.8958 -26.2925 -26.2925 -26.1393 -26.1393 -26.1391 -26.1391 -25.9080 -25.9080 2.8737 2.8737 3.0351 3.0351 7.2831 7.2831 7.7191 7.7191 8.4866 8.4866 8.6426 8.6426 8.9232 8.9232 9.5046 9.5046 10.1116 10.1116 10.1815 10.1815 10.2547 10.2547 10.2572 10.2572 11.6935 11.6935 11.7663 11.7663 12.1063 12.1063 12.7218 12.7218 13.0457 13.0457 k = 0.1967 0.1967 0.2562 ( 3952 PWs) bands (ev): -52.6084 -52.6084 -52.5054 -52.5054 -27.0669 -27.0669 -26.8924 -26.8924 -26.2955 -26.2955 -26.1437 -26.1437 -26.1330 -26.1330 -25.9063 -25.9063 2.8244 2.8244 2.9871 2.9871 7.2613 7.2613 7.7048 7.7048 8.5206 8.5206 8.7079 8.7079 8.9288 8.9288 9.5497 9.5497 10.1210 10.1210 10.1651 10.1651 10.2319 10.2319 10.2693 10.2693 11.7112 11.7112 11.7979 11.7979 12.1444 12.1444 12.7245 12.7245 13.0398 13.0398 k = 0.1885 0.1885 0.2562 ( 3950 PWs) bands (ev): -52.6103 -52.6103 -52.5036 -52.5036 -27.0692 -27.0692 -26.8892 -26.8892 -26.2988 -26.2988 -26.1478 -26.1478 -26.1268 -26.1268 -25.9044 -25.9044 2.7759 2.7759 2.9394 2.9394 7.2334 7.2334 7.6918 7.6918 8.5614 8.5614 8.7745 8.7745 8.9355 8.9355 9.5930 9.5930 10.1332 10.1332 10.1458 10.1458 10.2060 10.2060 10.2874 10.2874 11.7032 11.7032 11.8609 11.8609 12.1733 12.1733 12.7282 12.7282 13.0343 13.0343 k = 0.1803 0.1803 0.2562 ( 3952 PWs) bands (ev): -52.6121 -52.6121 -52.5018 -52.5018 -27.0715 -27.0715 -26.8861 -26.8861 -26.3023 -26.3023 -26.1514 -26.1514 -26.1210 -26.1210 -25.9022 -25.9022 2.7286 2.7286 2.8921 2.8921 7.2009 7.2009 7.6801 7.6801 8.6075 8.6075 8.8424 8.8424 8.9433 8.9433 9.6338 9.6338 10.1201 10.1201 10.1527 10.1527 10.1814 10.1814 10.3066 10.3066 11.6968 11.6968 11.9286 11.9286 12.1921 12.1921 12.7327 12.7327 13.0293 13.0293 k = 0.1721 0.1721 0.2562 ( 3948 PWs) bands (ev): -52.6140 -52.6140 -52.5000 -52.5000 -27.0739 -27.0739 -26.8833 -26.8833 -26.3060 -26.3060 -26.1544 -26.1544 -26.1154 -26.1154 -25.8999 -25.8999 2.6824 2.6824 2.8454 2.8454 7.1649 7.1649 7.6694 7.6694 8.6571 8.6571 8.9116 8.9116 8.9521 8.9521 9.6717 9.6717 10.0972 10.0972 10.1442 10.1442 10.1854 10.1854 10.3256 10.3256 11.6962 11.6962 11.9968 11.9968 12.1999 12.1999 12.7379 12.7379 13.0245 13.0245 k = 0.1639 0.1639 0.2562 ( 3956 PWs) bands (ev): -52.6157 -52.6157 -52.4983 -52.4983 -27.0763 -27.0763 -26.8806 -26.8806 -26.3098 -26.3098 -26.1571 -26.1571 -26.1101 -26.1101 -25.8974 -25.8974 2.6376 2.6376 2.7996 2.7996 7.1264 7.1264 7.6598 7.6598 8.7090 8.7090 8.9619 8.9619 8.9822 8.9822 9.7063 9.7063 10.0737 10.0737 10.1160 10.1160 10.2139 10.2139 10.3440 10.3440 11.7028 11.7028 12.0647 12.0647 12.1966 12.1966 12.7435 12.7435 13.0196 13.0196 k = 0.1557 0.1557 0.2562 ( 3956 PWs) bands (ev): -52.6174 -52.6174 -52.4966 -52.4966 -27.0787 -27.0787 -26.8781 -26.8781 -26.3138 -26.3138 -26.1593 -26.1593 -26.1051 -26.1051 -25.8946 -25.8946 2.5943 2.5943 2.7548 2.7548 7.0865 7.0865 7.6509 7.6509 8.7618 8.7618 8.9729 8.9729 9.0540 9.0540 9.7377 9.7377 10.0502 10.0502 10.0854 10.0854 10.2491 10.2491 10.3612 10.3612 11.7172 11.7172 12.1317 12.1317 12.1822 12.1822 12.7493 12.7493 13.0147 13.0147 k = 0.1475 0.1475 0.2562 ( 3954 PWs) bands (ev): -52.6191 -52.6191 -52.4950 -52.4950 -27.0811 -27.0811 -26.8758 -26.8758 -26.3178 -26.3178 -26.1612 -26.1612 -26.1005 -26.1005 -25.8917 -25.8917 2.5525 2.5525 2.7113 2.7113 7.0459 7.0459 7.6428 7.6428 8.8144 8.8144 8.9850 8.9850 9.1270 9.1270 9.7660 9.7660 10.0269 10.0269 10.0537 10.0537 10.2893 10.2893 10.3769 10.3769 11.7399 11.7399 12.1566 12.1566 12.1981 12.1981 12.7551 12.7551 13.0094 13.0094 k = 0.1393 0.1393 0.2562 ( 3946 PWs) bands (ev): -52.6207 -52.6207 -52.4935 -52.4935 -27.0835 -27.0835 -26.8737 -26.8737 -26.3218 -26.3218 -26.1627 -26.1627 -26.0962 -26.0962 -25.8887 -25.8887 2.5125 2.5125 2.6691 2.6691 7.0052 7.0052 7.6353 7.6353 8.8660 8.8660 8.9983 8.9983 9.2012 9.2012 9.7916 9.7916 10.0039 10.0039 10.0213 10.0213 10.3335 10.3335 10.3908 10.3908 11.7710 11.7710 12.1214 12.1214 12.2626 12.2626 12.7607 12.7607 13.0037 13.0037 k = 0.1311 0.1311 0.2562 ( 3942 PWs) bands (ev): -52.6222 -52.6222 -52.4920 -52.4920 -27.0859 -27.0859 -26.8717 -26.8717 -26.3258 -26.3258 -26.1640 -26.1640 -26.0922 -26.0922 -25.8855 -25.8855 2.4743 2.4743 2.6285 2.6285 6.9650 6.9650 7.6283 7.6283 8.9157 8.9157 9.0127 9.0127 9.2766 9.2766 9.8147 9.8147 9.9809 9.9809 9.9889 9.9889 10.3806 10.3806 10.4034 10.4034 11.8106 11.8106 12.0770 12.0770 12.3255 12.3255 12.7659 12.7659 12.9977 12.9977 k = 0.1230 0.1230 0.2562 ( 3938 PWs) bands (ev): -52.6236 -52.6236 -52.4906 -52.4906 -27.0883 -27.0883 -26.8698 -26.8698 -26.3297 -26.3297 -26.1650 -26.1650 -26.0886 -26.0886 -25.8822 -25.8822 2.4380 2.4380 2.5897 2.5897 6.9258 6.9258 7.6218 7.6218 8.9629 8.9629 9.0283 9.0283 9.3531 9.3531 9.8359 9.8359 9.9525 9.9525 9.9619 9.9619 10.4109 10.4109 10.4334 10.4334 11.8584 11.8584 12.0245 12.0245 12.3866 12.3866 12.7707 12.7707 12.9915 12.9915 k = 0.1148 0.1148 0.2562 ( 3942 PWs) bands (ev): -52.6250 -52.6250 -52.4892 -52.4892 -27.0906 -27.0906 -26.8682 -26.8682 -26.3335 -26.3335 -26.1658 -26.1658 -26.0853 -26.0853 -25.8789 -25.8789 2.4036 2.4036 2.5527 2.5527 6.8878 6.8878 7.6158 7.6158 9.0070 9.0070 9.0453 9.0453 9.4307 9.4307 9.8554 9.8554 9.9192 9.9192 9.9405 9.9405 10.4196 10.4196 10.4848 10.4848 11.9139 11.9139 11.9652 11.9652 12.4453 12.4454 12.7749 12.7749 12.9853 12.9853 k = 0.1066 0.1066 0.2562 ( 3942 PWs) bands (ev): -52.6263 -52.6263 -52.4880 -52.4880 -27.0928 -27.0928 -26.8666 -26.8666 -26.3371 -26.3371 -26.1664 -26.1664 -26.0823 -26.0823 -25.8756 -25.8756 2.3714 2.3714 2.5177 2.5177 6.8515 6.8515 7.6102 7.6102 9.0463 9.0463 9.0650 9.0650 9.5092 9.5092 9.8729 9.8729 9.8857 9.8857 9.9206 9.9206 10.4258 10.4258 10.5380 10.5380 11.8990 11.8990 11.9775 11.9775 12.5015 12.5015 12.7785 12.7785 12.9790 12.9790 k = 0.0984 0.0984 0.2562 ( 3950 PWs) bands (ev): -52.6275 -52.6275 -52.4868 -52.4868 -27.0949 -27.0949 -26.8652 -26.8652 -26.3405 -26.3405 -26.1669 -26.1669 -26.0796 -26.0796 -25.8724 -25.8724 2.3412 2.3412 2.4848 2.4848 6.8171 6.8171 7.6050 7.6050 9.0753 9.0753 9.0927 9.0927 9.5885 9.5885 9.8502 9.8502 9.8909 9.8909 9.9018 9.9018 10.4302 10.4302 10.5917 10.5917 11.8287 11.8287 12.0465 12.0465 12.5544 12.5544 12.7814 12.7814 12.9730 12.9730 k = 0.0902 0.0902 0.2562 ( 3954 PWs) bands (ev): -52.6286 -52.6286 -52.4857 -52.4857 -27.0969 -27.0969 -26.8640 -26.8640 -26.3438 -26.3438 -26.1673 -26.1673 -26.0773 -26.0773 -25.8692 -25.8692 2.3132 2.3132 2.4541 2.4541 6.7848 6.7848 7.6001 7.6001 9.0968 9.0968 9.1254 9.1254 9.6686 9.6686 9.8160 9.8160 9.8841 9.8841 9.9067 9.9067 10.4330 10.4330 10.6452 10.6452 11.7542 11.7542 12.1209 12.1209 12.6036 12.6036 12.7836 12.7836 12.9670 12.9670 k = 0.0820 0.0820 0.2562 ( 3966 PWs) bands (ev): -52.6297 -52.6297 -52.4847 -52.4847 -27.0989 -27.0989 -26.8628 -26.8628 -26.3468 -26.3468 -26.1676 -26.1676 -26.0752 -26.0752 -25.8661 -25.8661 2.2875 2.2875 2.4258 2.4258 6.7548 6.7548 7.5956 7.5956 9.1176 9.1176 9.1563 9.1563 9.7489 9.7489 9.7822 9.7822 9.8676 9.8676 9.9215 9.9215 10.4346 10.4346 10.6979 10.6979 11.6766 11.6766 12.1992 12.1992 12.6480 12.6480 12.7850 12.7850 12.9608 12.9608 k = 0.0738 0.0738 0.2562 ( 3970 PWs) bands (ev): -52.6306 -52.6306 -52.4838 -52.4838 -27.1006 -27.1006 -26.8618 -26.8618 -26.3496 -26.3496 -26.1678 -26.1678 -26.0733 -26.0733 -25.8632 -25.8632 2.2641 2.2641 2.3999 2.3999 6.7272 6.7272 7.5915 7.5915 9.1388 9.1388 9.1842 9.1842 9.7479 9.7479 9.8303 9.8303 9.8525 9.8525 9.9352 9.9352 10.4352 10.4352 10.7492 10.7492 11.5968 11.5968 12.2798 12.2798 12.6856 12.6856 12.7856 12.7856 12.9430 12.9430 k = 0.0656 0.0656 0.2562 ( 3970 PWs) bands (ev): -52.6315 -52.6315 -52.4829 -52.4829 -27.1023 -27.1023 -26.8609 -26.8609 -26.3521 -26.3521 -26.1679 -26.1679 -26.0717 -26.0717 -25.8605 -25.8605 2.2430 2.2430 2.3765 2.3765 6.7022 6.7022 7.5878 7.5878 9.1604 9.1604 9.2089 9.2089 9.7148 9.7148 9.8388 9.8388 9.9110 9.9110 9.9478 9.9478 10.4351 10.4351 10.7983 10.7983 11.5157 11.5157 12.3609 12.3609 12.7115 12.7115 12.7864 12.7864 12.9023 12.9023 k = 0.0574 0.0574 0.2562 ( 3974 PWs) bands (ev): -52.6323 -52.6323 -52.4822 -52.4822 -27.1037 -27.1037 -26.8602 -26.8602 -26.3543 -26.3543 -26.1680 -26.1680 -26.0704 -26.0704 -25.8580 -25.8580 2.2243 2.2243 2.3557 2.3557 6.6799 6.6799 7.5844 7.5844 9.1823 9.1823 9.2305 9.2305 9.6825 9.6825 9.8264 9.8264 9.9591 9.9591 9.9913 9.9913 10.4344 10.4344 10.8447 10.8447 11.4343 11.4343 12.4404 12.4404 12.7164 12.7164 12.7897 12.7897 12.8765 12.8766 k = 0.0492 0.0492 0.2562 ( 3980 PWs) bands (ev): -52.6329 -52.6329 -52.4816 -52.4816 -27.1050 -27.1050 -26.8595 -26.8595 -26.3563 -26.3563 -26.1680 -26.1680 -26.0692 -26.0692 -25.8558 -25.8558 2.2080 2.2080 2.3376 2.3376 6.6604 6.6604 7.5815 7.5815 9.2044 9.2044 9.2490 9.2490 9.6513 9.6513 9.8156 9.8156 9.9692 9.9692 10.0703 10.0703 10.4334 10.4334 10.8874 10.8874 11.3536 11.3536 12.5159 12.5159 12.6979 12.6979 12.7951 12.7951 12.8723 12.8723 k = 0.0410 0.0410 0.2562 ( 3988 PWs) bands (ev): -52.6335 -52.6335 -52.4810 -52.4810 -27.1061 -27.1061 -26.8589 -26.8589 -26.3580 -26.3580 -26.1681 -26.1681 -26.0683 -26.0683 -25.8539 -25.8539 2.1942 2.1942 2.3221 2.3221 6.6438 6.6438 7.5790 7.5790 9.2260 9.2260 9.2646 9.2646 9.6218 9.6218 9.8064 9.8064 9.9779 9.9779 10.1470 10.1470 10.4322 10.4322 10.9256 10.9256 11.2752 11.2752 12.5835 12.5835 12.6688 12.6688 12.7996 12.7996 12.8818 12.8818 k = 0.0328 0.0328 0.2562 ( 3986 PWs) bands (ev): -52.6340 -52.6340 -52.4805 -52.4805 -27.1071 -27.1071 -26.8585 -26.8585 -26.3593 -26.3593 -26.1681 -26.1681 -26.0675 -26.0675 -25.8522 -25.8522 2.1829 2.1829 2.3094 2.3094 6.6301 6.6301 7.5769 7.5769 9.2466 9.2466 9.2773 9.2773 9.5944 9.5944 9.7988 9.7988 9.9852 9.9852 10.2196 10.2196 10.4310 10.4310 10.9583 10.9583 11.2011 11.2011 12.6233 12.6233 12.6563 12.6563 12.8043 12.8043 12.8949 12.8949 k = 0.0246 0.0246 0.2562 ( 3994 PWs) bands (ev): -52.6343 -52.6343 -52.4802 -52.4802 -27.1078 -27.1078 -26.8582 -26.8582 -26.3604 -26.3604 -26.1681 -26.1681 -26.0669 -26.0669 -25.8510 -25.8510 2.1740 2.1740 2.2995 2.2995 6.6194 6.6194 7.5753 7.5753 9.2651 9.2651 9.2876 9.2876 9.5703 9.5703 9.7928 9.7928 9.9910 9.9910 10.2854 10.2854 10.4300 10.4300 10.9843 10.9843 11.1347 11.1347 12.6032 12.6032 12.6942 12.6942 12.8114 12.8114 12.9061 12.9061 k = 0.0164 0.0164 0.2562 ( 3994 PWs) bands (ev): -52.6346 -52.6346 -52.4799 -52.4799 -27.1083 -27.1083 -26.8579 -26.8579 -26.3612 -26.3612 -26.1681 -26.1681 -26.0665 -26.0665 -25.8501 -25.8501 2.1677 2.1677 2.2924 2.2924 6.6117 6.6117 7.5741 7.5741 9.2797 9.2797 9.2957 9.2957 9.5508 9.5508 9.7885 9.7885 9.9951 9.9951 10.3401 10.3401 10.4292 10.4292 11.0014 11.0014 11.0816 11.0816 12.5827 12.5827 12.7230 12.7230 12.8213 12.8213 12.9134 12.9134 k = 0.0082 0.0082 0.2562 ( 3994 PWs) bands (ev): -52.6347 -52.6347 -52.4798 -52.4798 -27.1086 -27.1086 -26.8578 -26.8578 -26.3616 -26.3616 -26.1681 -26.1681 -26.0662 -26.0662 -25.8495 -25.8495 2.1639 2.1639 2.2881 2.2881 6.6071 6.6071 7.5734 7.5734 9.2885 9.2885 9.3018 9.3018 9.5379 9.5379 9.7859 9.7859 9.9976 9.9976 10.3775 10.3775 10.4287 10.4287 11.0057 11.0057 11.0513 11.0513 12.5696 12.5696 12.7379 12.7379 12.8309 12.8309 12.9170 12.9170 k = 0.0000 0.0000 0.2562 ( 3998 PWs) bands (ev): -52.6348 -52.6348 -52.4797 -52.4797 -27.1087 -27.1087 -26.8577 -26.8577 -26.3618 -26.3618 -26.1681 -26.1681 -26.0662 -26.0662 -25.8493 -25.8493 2.1626 2.1626 2.2867 2.2867 6.6056 6.6056 7.5732 7.5732 9.2912 9.2912 9.3043 9.3043 9.5333 9.5333 9.7850 9.7850 9.9985 9.9985 10.3910 10.3910 10.4285 10.4285 11.0026 11.0026 11.0448 11.0448 12.5651 12.5651 12.7422 12.7422 12.8349 12.8349 12.9180 12.9180 k = 0.0000 0.5000-0.0000 ( 3968 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6009 3.6009 3.6009 3.6009 6.7564 6.7564 6.7564 6.7564 8.6862 8.6862 8.6862 8.6862 9.3385 9.3385 9.3385 9.3385 10.0902 10.0902 10.0902 10.0902 10.7387 10.7387 10.7387 10.7387 11.2648 11.2648 11.2648 11.2648 12.1027 12.1027 12.1027 12.1027 12.4994 12.4994 k = 0.0000 0.5000 0.0116 ( 3964 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6012 3.6012 3.6012 3.6012 6.7548 6.7548 6.7548 6.7548 8.6871 8.6871 8.6871 8.6871 9.3389 9.3389 9.3389 9.3389 10.0890 10.0890 10.0890 10.0890 10.7424 10.7424 10.7424 10.7424 11.2647 11.2647 11.2647 11.2647 12.1004 12.1004 12.1004 12.1004 12.4994 12.4994 k = 0.0000 0.5000 0.0233 ( 3974 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6020 3.6020 3.6020 3.6020 6.7501 6.7501 6.7501 6.7501 8.6898 8.6898 8.6898 8.6898 9.3401 9.3401 9.3401 9.3401 10.0855 10.0855 10.0855 10.0855 10.7535 10.7535 10.7535 10.7535 11.2643 11.2643 11.2643 11.2643 12.0936 12.0936 12.0936 12.0936 12.4995 12.4995 k = 0.0000 0.5000 0.0349 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6035 3.6035 3.6035 3.6035 6.7423 6.7423 6.7423 6.7423 8.6943 8.6943 8.6943 8.6943 9.3420 9.3420 9.3420 9.3420 10.0800 10.0800 10.0800 10.0800 10.7714 10.7714 10.7714 10.7714 11.2637 11.2637 11.2637 11.2637 12.0827 12.0827 12.0827 12.0827 12.4996 12.4996 k = 0.0000 0.5000 0.0466 ( 3984 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6054 3.6054 3.6054 3.6054 6.7317 6.7317 6.7317 6.7317 8.7003 8.7003 8.7003 8.7003 9.3447 9.3447 9.3447 9.3447 10.0730 10.0730 10.0730 10.0730 10.7957 10.7957 10.7957 10.7957 11.2628 11.2628 11.2628 11.2628 12.0679 12.0679 12.0679 12.0679 12.4997 12.4997 k = 0.0000 0.5000 0.0582 ( 3988 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6079 3.6079 3.6079 3.6079 6.7186 6.7186 6.7186 6.7186 8.7075 8.7075 8.7075 8.7075 9.3480 9.3480 9.3480 9.3480 10.0650 10.0650 10.0650 10.0650 10.8258 10.8258 10.8258 10.8258 11.2616 11.2616 11.2616 11.2616 12.0498 12.0498 12.0498 12.0498 12.4998 12.4998 k = 0.0000 0.5000 0.0699 ( 3992 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6108 3.6108 3.6108 3.6108 6.7033 6.7033 6.7033 6.7033 8.7158 8.7158 8.7158 8.7158 9.3520 9.3520 9.3520 9.3520 10.0567 10.0567 10.0567 10.0567 10.8608 10.8608 10.8608 10.8608 11.2603 11.2603 11.2603 11.2603 12.0289 12.0289 12.0289 12.0289 12.5000 12.5000 k = 0.0000 0.5000 0.0815 ( 3992 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6142 3.6142 3.6142 3.6142 6.6862 6.6862 6.6862 6.6862 8.7248 8.7248 8.7248 8.7248 9.3565 9.3565 9.3565 9.3565 10.0483 10.0483 10.0483 10.0483 10.9001 10.9001 10.9001 10.9001 11.2586 11.2586 11.2586 11.2586 12.0059 12.0059 12.0059 12.0059 12.5002 12.5002 k = 0.0000 0.5000 0.0932 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6178 3.6178 3.6178 3.6178 6.6676 6.6676 6.6676 6.6676 8.7341 8.7341 8.7341 8.7341 9.3616 9.3616 9.3616 9.3616 10.0404 10.0404 10.0404 10.0404 10.9430 10.9430 10.9430 10.9430 11.2567 11.2567 11.2567 11.2567 11.9814 11.9814 11.9814 11.9814 12.5004 12.5004 k = 0.0000 0.5000 0.1048 ( 3980 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6218 3.6218 3.6218 3.6218 6.6481 6.6481 6.6481 6.6481 8.7436 8.7436 8.7436 8.7436 9.3670 9.3670 9.3670 9.3670 10.0332 10.0332 10.0332 10.0332 10.9889 10.9889 10.9889 10.9889 11.2547 11.2547 11.2547 11.2547 11.9560 11.9560 11.9560 11.9560 12.5007 12.5007 k = 0.0000 0.5000 0.1164 ( 3992 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6259 3.6259 3.6259 3.6259 6.6281 6.6281 6.6281 6.6281 8.7529 8.7529 8.7529 8.7529 9.3727 9.3727 9.3727 9.3727 10.0269 10.0269 10.0269 10.0269 11.0372 11.0372 11.0372 11.0372 11.2524 11.2524 11.2524 11.2524 11.9304 11.9304 11.9304 11.9304 12.5010 12.5010 k = 0.0000 0.5000 0.1281 ( 3988 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6302 3.6302 3.6302 3.6302 6.6079 6.6079 6.6079 6.6079 8.7619 8.7619 8.7619 8.7619 9.3785 9.3785 9.3785 9.3785 10.0215 10.0215 10.0215 10.0215 11.0870 11.0870 11.0870 11.0870 11.2501 11.2501 11.2501 11.2501 11.9050 11.9050 11.9050 11.9050 12.5015 12.5015 k = 0.0000 0.5000 0.1397 ( 3982 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6345 3.6345 3.6345 3.6345 6.5879 6.5879 6.5879 6.5879 8.7703 8.7703 8.7703 8.7703 9.3845 9.3845 9.3845 9.3845 10.0171 10.0171 10.0171 10.0171 11.1376 11.1376 11.1376 11.1376 11.2480 11.2480 11.2480 11.2480 11.8803 11.8803 11.8803 11.8803 12.5020 12.5020 k = 0.0000 0.5000 0.1514 ( 3982 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6387 3.6387 3.6387 3.6387 6.5687 6.5687 6.5687 6.5687 8.7781 8.7781 8.7781 8.7781 9.3904 9.3904 9.3904 9.3904 10.0138 10.0138 10.0138 10.0138 11.1873 11.1873 11.1873 11.1873 11.2471 11.2471 11.2471 11.2471 11.8569 11.8569 11.8569 11.8569 12.5026 12.5026 k = 0.0000 0.5000 0.1630 ( 3980 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6428 3.6428 3.6428 3.6428 6.5504 6.5504 6.5504 6.5504 8.7850 8.7850 8.7850 8.7850 9.3961 9.3961 9.3961 9.3961 10.0112 10.0112 10.0112 10.0112 11.2260 11.2260 11.2260 11.2260 11.2566 11.2566 11.2566 11.2566 11.8351 11.8351 11.8351 11.8351 12.5033 12.5033 k = 0.0000 0.5000 0.1747 ( 3976 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6466 3.6466 3.6466 3.6466 6.5334 6.5334 6.5334 6.5334 8.7912 8.7912 8.7912 8.7912 9.4015 9.4015 9.4015 9.4015 10.0095 10.0095 10.0095 10.0095 11.2330 11.2330 11.2330 11.2330 11.2965 11.2965 11.2965 11.2965 11.8152 11.8152 11.8152 11.8152 12.5042 12.5042 k = 0.0000 0.5000 0.1863 ( 3980 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6501 3.6501 3.6501 3.6501 6.5181 6.5181 6.5181 6.5181 8.7965 8.7965 8.7965 8.7965 9.4065 9.4065 9.4065 9.4065 10.0084 10.0084 10.0084 10.0084 11.2319 11.2319 11.2319 11.2319 11.3421 11.3421 11.3421 11.3421 11.7975 11.7975 11.7975 11.7975 12.5052 12.5052 k = 0.0000 0.5000 0.1979 ( 3982 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6532 3.6532 3.6532 3.6532 6.5047 6.5047 6.5047 6.5047 8.8009 8.8009 8.8009 8.8009 9.4109 9.4109 9.4109 9.4109 10.0078 10.0078 10.0078 10.0078 11.2298 11.2298 11.2298 11.2298 11.3853 11.3853 11.3853 11.3853 11.7822 11.7822 11.7822 11.7822 12.5064 12.5064 k = 0.0000 0.5000 0.2096 ( 3978 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6559 3.6559 3.6559 3.6559 6.4935 6.4935 6.4935 6.4935 8.8044 8.8044 8.8044 8.8044 9.4147 9.4147 9.4147 9.4147 10.0075 10.0075 10.0075 10.0075 11.2278 11.2278 11.2278 11.2278 11.4237 11.4237 11.4237 11.4237 11.7696 11.7696 11.7696 11.7696 12.5077 12.5077 k = 0.0000 0.5000 0.2212 ( 3974 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6580 3.6580 3.6580 3.6580 6.4845 6.4845 6.4845 6.4845 8.8072 8.8072 8.8072 8.8072 9.4178 9.4178 9.4178 9.4178 10.0074 10.0074 10.0074 10.0074 11.2260 11.2260 11.2260 11.2260 11.4557 11.4557 11.4557 11.4558 11.7596 11.7596 11.7596 11.7596 12.5090 12.5090 k = 0.0000 0.5000 0.2329 ( 3974 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6596 3.6596 3.6596 3.6596 6.4780 6.4780 6.4780 6.4780 8.8091 8.8091 8.8091 8.8091 9.4200 9.4200 9.4200 9.4200 10.0074 10.0074 10.0074 10.0074 11.2246 11.2246 11.2246 11.2246 11.4800 11.4800 11.4800 11.4800 11.7525 11.7525 11.7525 11.7525 12.5102 12.5102 k = 0.0000 0.5000 0.2445 ( 3972 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6606 3.6606 3.6606 3.6606 6.4740 6.4740 6.4740 6.4740 8.8102 8.8102 8.8102 8.8102 9.4214 9.4214 9.4214 9.4214 10.0075 10.0075 10.0075 10.0075 11.2237 11.2237 11.2237 11.2237 11.4951 11.4951 11.4951 11.4951 11.7482 11.7482 11.7482 11.7482 12.5111 12.5111 k = 0.0000 0.5000 0.2562 ( 3972 PWs) bands (ev): -52.5568 -52.5568 -52.5568 -52.5568 -26.9616 -26.9616 -26.9616 -26.9616 -26.1496 -26.1496 -26.1496 -26.1496 -26.1168 -26.1168 -26.1168 -26.1168 3.6609 3.6609 3.6609 3.6609 6.4727 6.4727 6.4727 6.4727 8.8106 8.8106 8.8106 8.8106 9.4218 9.4218 9.4218 9.4218 10.0075 10.0075 10.0075 10.0075 11.2235 11.2235 11.2235 11.2235 11.5003 11.5003 11.5003 11.5003 11.7468 11.7468 11.7468 11.7468 12.5114 12.5114 k = 0.5000 0.5000-0.0000 ( 3960 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8515 3.8515 3.8515 3.8515 7.5161 7.5161 7.5161 7.5161 8.4637 8.4637 8.4637 8.4637 8.6976 8.6976 8.6976 8.6976 10.2702 10.2702 10.2702 10.2702 10.5915 10.5915 10.5915 10.5915 10.6311 10.6311 10.6311 10.6311 12.5286 12.5286 12.5286 12.5286 13.2935 13.2935 k = 0.5000 0.5000 0.0116 ( 3964 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8514 3.8514 3.8514 3.8514 7.5151 7.5151 7.5151 7.5151 8.4651 8.4651 8.4651 8.4651 8.6993 8.6993 8.6993 8.6993 10.2705 10.2705 10.2705 10.2705 10.5891 10.5891 10.5891 10.5891 10.6304 10.6304 10.6304 10.6304 12.5287 12.5287 12.5287 12.5287 13.2935 13.2935 k = 0.5000 0.5000 0.0233 ( 3956 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8511 3.8511 3.8511 3.8511 7.5122 7.5122 7.5122 7.5122 8.4691 8.4691 8.4691 8.4691 8.7041 8.7041 8.7041 8.7041 10.2715 10.2715 10.2715 10.2715 10.5817 10.5817 10.5817 10.5817 10.6285 10.6285 10.6285 10.6285 12.5293 12.5293 12.5293 12.5293 13.2934 13.2934 k = 0.5000 0.5000 0.0349 ( 3956 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8506 3.8506 3.8506 3.8506 7.5075 7.5075 7.5075 7.5075 8.4757 8.4757 8.4757 8.4757 8.7119 8.7119 8.7119 8.7119 10.2731 10.2731 10.2731 10.2731 10.5693 10.5693 10.5693 10.5693 10.6257 10.6257 10.6257 10.6257 12.5302 12.5302 12.5302 12.5302 13.2933 13.2933 k = 0.5000 0.5000 0.0466 ( 3968 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8499 3.8499 3.8499 3.8499 7.5011 7.5011 7.5011 7.5011 8.4850 8.4850 8.4850 8.4850 8.7226 8.7226 8.7226 8.7226 10.2754 10.2754 10.2754 10.2754 10.5519 10.5519 10.5519 10.5519 10.6221 10.6221 10.6221 10.6221 12.5314 12.5314 12.5314 12.5314 13.2932 13.2932 k = 0.5000 0.5000 0.0582 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8491 3.8491 3.8491 3.8491 7.4932 7.4932 7.4932 7.4932 8.4967 8.4967 8.4967 8.4967 8.7359 8.7359 8.7359 8.7359 10.2783 10.2783 10.2783 10.2783 10.5299 10.5299 10.5299 10.5299 10.6178 10.6178 10.6178 10.6178 12.5329 12.5329 12.5329 12.5329 13.2930 13.2930 k = 0.5000 0.5000 0.0699 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8481 3.8481 3.8481 3.8481 7.4841 7.4841 7.4841 7.4841 8.5108 8.5108 8.5108 8.5108 8.7514 8.7514 8.7514 8.7514 10.2818 10.2818 10.2818 10.2818 10.5036 10.5036 10.5036 10.5036 10.6128 10.6128 10.6128 10.6128 12.5347 12.5347 12.5347 12.5347 13.2928 13.2928 k = 0.5000 0.5000 0.0815 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8470 3.8470 3.8470 3.8470 7.4740 7.4740 7.4740 7.4740 8.5271 8.5271 8.5271 8.5271 8.7687 8.7687 8.7687 8.7687 10.2860 10.2860 10.2860 10.2860 10.4737 10.4737 10.4737 10.4737 10.6071 10.6071 10.6071 10.6071 12.5367 12.5367 12.5367 12.5367 13.2925 13.2925 k = 0.5000 0.5000 0.0932 ( 3960 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8457 3.8457 3.8457 3.8457 7.4632 7.4632 7.4632 7.4632 8.5454 8.5454 8.5454 8.5454 8.7875 8.7875 8.7875 8.7875 10.2906 10.2906 10.2906 10.2906 10.4408 10.4408 10.4408 10.4408 10.6006 10.6006 10.6006 10.6006 12.5390 12.5390 12.5390 12.5390 13.2923 13.2923 k = 0.5000 0.5000 0.1048 ( 3964 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8444 3.8444 3.8444 3.8444 7.4520 7.4520 7.4520 7.4520 8.5655 8.5655 8.5655 8.5655 8.8072 8.8072 8.8072 8.8072 10.2956 10.2956 10.2956 10.2956 10.4057 10.4057 10.4057 10.4057 10.5934 10.5934 10.5934 10.5934 12.5413 12.5413 12.5413 12.5413 13.2920 13.2920 k = 0.5000 0.5000 0.1164 ( 3964 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8430 3.8430 3.8430 3.8430 7.4406 7.4406 7.4406 7.4406 8.5872 8.5872 8.5872 8.5872 8.8276 8.8276 8.8276 8.8276 10.2999 10.2999 10.2999 10.2999 10.3700 10.3700 10.3700 10.3700 10.5854 10.5854 10.5854 10.5854 12.5438 12.5438 12.5438 12.5438 13.2917 13.2917 k = 0.5000 0.5000 0.1281 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8416 3.8416 3.8416 3.8416 7.4292 7.4292 7.4292 7.4292 8.6100 8.6100 8.6100 8.6100 8.8482 8.8482 8.8482 8.8482 10.2989 10.2989 10.2989 10.2989 10.3391 10.3391 10.3391 10.3391 10.5768 10.5768 10.5768 10.5768 12.5464 12.5464 12.5464 12.5464 13.2914 13.2914 k = 0.5000 0.5000 0.1397 ( 3944 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8403 3.8403 3.8403 3.8403 7.4182 7.4182 7.4182 7.4182 8.6338 8.6338 8.6338 8.6338 8.8685 8.8685 8.8685 8.8685 10.2767 10.2767 10.2767 10.2767 10.3294 10.3294 10.3294 10.3294 10.5674 10.5674 10.5674 10.5674 12.5490 12.5490 12.5490 12.5490 13.2911 13.2911 k = 0.5000 0.5000 0.1514 ( 3940 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8389 3.8389 3.8389 3.8389 7.4076 7.4076 7.4076 7.4076 8.6580 8.6580 8.6580 8.6580 8.8882 8.8882 8.8882 8.8882 10.2411 10.2411 10.2411 10.2411 10.3339 10.3339 10.3339 10.3339 10.5575 10.5575 10.5575 10.5575 12.5515 12.5515 12.5515 12.5515 13.2908 13.2908 k = 0.5000 0.5000 0.1630 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8376 3.8376 3.8376 3.8376 7.3977 7.3977 7.3977 7.3977 8.6822 8.6822 8.6822 8.6822 8.9069 8.9069 8.9069 8.9069 10.2036 10.2036 10.2036 10.2036 10.3419 10.3419 10.3419 10.3419 10.5469 10.5469 10.5469 10.5469 12.5539 12.5539 12.5539 12.5539 13.2905 13.2905 k = 0.5000 0.5000 0.1747 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8364 3.8364 3.8364 3.8364 7.3886 7.3886 7.3886 7.3886 8.7058 8.7058 8.7058 8.7058 8.9243 8.9243 8.9243 8.9243 10.1671 10.1671 10.1671 10.1671 10.3512 10.3512 10.3512 10.3512 10.5359 10.5359 10.5359 10.5359 12.5562 12.5562 12.5562 12.5562 13.2902 13.2902 k = 0.5000 0.5000 0.1863 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8353 3.8353 3.8353 3.8353 7.3804 7.3804 7.3804 7.3804 8.7283 8.7283 8.7283 8.7283 8.9401 8.9401 8.9401 8.9401 10.1327 10.1327 10.1327 10.1327 10.3614 10.3614 10.3614 10.3614 10.5244 10.5244 10.5244 10.5244 12.5582 12.5582 12.5582 12.5582 13.2900 13.2900 k = 0.5000 0.5000 0.1979 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8343 3.8343 3.8343 3.8343 7.3733 7.3733 7.3733 7.3733 8.7489 8.7489 8.7489 8.7489 8.9540 8.9540 8.9540 8.9540 10.1016 10.1016 10.1016 10.1016 10.3720 10.3720 10.3720 10.3720 10.5127 10.5127 10.5127 10.5127 12.5601 12.5601 12.5601 12.5601 13.2898 13.2898 k = 0.5000 0.5000 0.2096 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8334 3.8334 3.8334 3.8334 7.3674 7.3674 7.3674 7.3674 8.7671 8.7671 8.7671 8.7671 8.9657 8.9657 8.9657 8.9657 10.0746 10.0746 10.0746 10.0746 10.3830 10.3830 10.3830 10.3830 10.5009 10.5009 10.5009 10.5009 12.5616 12.5616 12.5616 12.5616 13.2896 13.2896 k = 0.5000 0.5000 0.2212 ( 3952 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0361 -27.0361 -27.0361 -27.0361 -26.2909 -26.2909 -26.2909 -26.2909 -25.9062 -25.9062 -25.9062 -25.9062 3.8328 3.8328 3.8328 3.8328 7.3627 7.3627 7.3627 7.3627 8.7821 8.7821 8.7821 8.7821 8.9750 8.9750 8.9750 8.9750 10.0525 10.0525 10.0525 10.0525 10.3939 10.3939 10.3939 10.3939 10.4893 10.4893 10.4893 10.4893 12.5629 12.5629 12.5629 12.5629 13.2894 13.2894 k = 0.5000 0.5000 0.2329 ( 3992 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0362 -27.0362 -27.0362 -27.0362 -26.2910 -26.2910 -26.2910 -26.2910 -25.9062 -25.9062 -25.9062 -25.9062 3.8323 3.8323 3.8323 3.8323 7.3593 7.3593 7.3593 7.3593 8.7933 8.7933 8.7933 8.7933 8.9818 8.9818 8.9818 8.9818 10.0361 10.0361 10.0361 10.0361 10.4040 10.4040 10.4040 10.4040 10.4787 10.4787 10.4787 10.4787 12.5638 12.5638 12.5638 12.5638 13.2893 13.2893 k = 0.5000 0.5000 0.2445 ( 3992 PWs) bands (ev): -52.5557 -52.5557 -52.5557 -52.5557 -27.0362 -27.0362 -27.0362 -27.0362 -26.2910 -26.2910 -26.2910 -26.2910 -25.9062 -25.9062 -25.9062 -25.9062 3.8320 3.8320 3.8320 3.8320 7.3572 7.3572 7.3572 7.3572 8.8003 8.8003 8.8003 8.8003 8.9859 8.9859 8.9859 8.9859 10.0260 10.0260 10.0260 10.0260 10.4120 10.4120 10.4120 10.4120 10.4705 10.4705 10.4705 10.4705 12.5644 12.5644 12.5644 12.5644 13.2893 13.2893 k = 0.5000 0.5000 0.2562 ( 4008 PWs) bands (ev): -52.5558 -52.5558 -52.5558 -52.5558 -27.0362 -27.0362 -27.0362 -27.0362 -26.2910 -26.2910 -26.2910 -26.2910 -25.9063 -25.9063 -25.9063 -25.9063 3.8319 3.8319 3.8319 3.8319 7.3565 7.3565 7.3565 7.3565 8.8027 8.8027 8.8027 8.8027 8.9873 8.9873 8.9873 8.9873 10.0226 10.0226 10.0226 10.0226 10.4153 10.4153 10.4153 10.4153 10.4672 10.4672 10.4672 10.4672 12.5645 12.5645 12.5645 12.5645 13.2892 13.2892 Writing output data file ZrVSi.save init_run : 0.47s CPU 0.68s WALL ( 1 calls) electrons : 238.60s CPU 243.72s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 238.60s CPU 243.71s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.23s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.07s WALL ( 369 calls) cegterg : 221.80s CPU 225.13s WALL ( 848 calls) Called by sum_band: Called by *egterg: h_psi : 104.76s CPU 107.10s WALL ( 15089 calls) s_psi : 9.78s CPU 9.92s WALL ( 15089 calls) g_psi : 0.38s CPU 0.40s WALL ( 13872 calls) cdiaghg : 91.92s CPU 92.72s WALL ( 14241 calls) cegterg:over : 9.76s CPU 9.89s WALL ( 13872 calls) cegterg:upda : 9.15s CPU 9.37s WALL ( 13872 calls) cegterg:last : 5.13s CPU 5.16s WALL ( 2274 calls) cdiaghg:chol : 5.27s CPU 5.19s WALL ( 14241 calls) cdiaghg:inve : 3.42s CPU 3.39s WALL ( 14241 calls) cdiaghg:para : 5.44s CPU 5.29s WALL ( 28482 calls) Called by h_psi: h_psi:vloc : 80.23s CPU 82.14s WALL ( 15089 calls) h_psi:vnl : 24.10s CPU 24.53s WALL ( 15089 calls) add_vuspsi : 12.41s CPU 12.47s WALL ( 15089 calls) General routines calbec : 11.63s CPU 12.02s WALL ( 15089 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 68.05s CPU 69.69s WALL ( 1320336 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.23s WALL ( 738 calls) Parallel routines fft_scatter : 35.92s CPU 36.90s WALL ( 1320359 calls) PWSCF : 4m15.73s CPU 5m25.70s WALL This run was terminated on: 21:21: 0 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=