Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 14:29:57 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CsNaTe.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 35 35 9 2173 2129 305 Max 36 36 10 2184 2156 318 Sum 2561 2537 697 156827 153979 22449 bravais-lattice index = 14 lattice parameter (alat) = 9.9702 a.u. unit-cell volume = 1592.5735 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.970194 celldm(2)= 1.000000 celldm(3)= 1.606899 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 1.606899 ) 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 0.622317 ) PseudoPot. # 1 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Na 9.00 22.98980 Na( 1.00) Te 6.00 127.60000 Te( 1.00) Cs 9.00 132.90550 Cs( 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= 272 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0036765 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0036765 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0036765 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0036765 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0036765 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0036765 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0036765 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0036765 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0036765 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0036765 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0036765 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0036765 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0036765 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0036765 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0036765 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0036765 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0036765 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0036765 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0036765 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0036765 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0036765 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 64) = ( 0.4883721 0.4883721 -0.0000000), wk = 0.0036765 k( 65) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0036765 k( 66) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0036765 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4418605 0.4418605 -0.0000000), wk = 0.0036765 k( 69) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0036765 k( 70) = ( 0.4186047 0.4186046 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0036765 k( 72) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0036765 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0036765 k( 74) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0036765 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0036765 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0036765 k( 77) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0036765 k( 78) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0036765 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0036765 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0036765 k( 81) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0036765 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0036765 k( 83) = ( 0.2674419 0.2674419 -0.0000000), wk = 0.0036765 k( 84) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0036765 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0036765 k( 86) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0036765 k( 87) = ( 0.2209302 0.2209302 -0.0000000), wk = 0.0036765 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0036765 k( 89) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0036765 k( 90) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0036765 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0036765 k( 92) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0036765 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0036765 k( 94) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0036765 k( 95) = ( 0.1279070 0.1279070 -0.0000000), wk = 0.0036765 k( 96) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0036765 k( 97) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0036765 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0036765 k( 99) = ( 0.0813954 0.0813953 -0.0000000), wk = 0.0036765 k( 100) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0036765 k( 101) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0036765 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0036765 k( 103) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0036765 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0036765 k( 105) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0036765 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 108) = ( 0.0000000 0.0000000 0.0163768), wk = 0.0036765 k( 109) = ( 0.0000000 0.0000000 0.0327535), wk = 0.0036765 k( 110) = ( 0.0000000 0.0000000 0.0491303), wk = 0.0036765 k( 111) = ( 0.0000000 0.0000000 0.0655070), wk = 0.0036765 k( 112) = ( 0.0000000 0.0000000 0.0818838), wk = 0.0036765 k( 113) = ( 0.0000000 0.0000000 0.0982605), wk = 0.0036765 k( 114) = ( 0.0000000 0.0000000 0.1146373), wk = 0.0036765 k( 115) = ( 0.0000000 0.0000000 0.1310140), wk = 0.0036765 k( 116) = ( 0.0000000 0.0000000 0.1473908), wk = 0.0036765 k( 117) = ( 0.0000000 0.0000000 0.1637675), wk = 0.0036765 k( 118) = ( 0.0000000 0.0000000 0.1801443), wk = 0.0036765 k( 119) = ( 0.0000000 0.0000000 0.1965210), wk = 0.0036765 k( 120) = ( 0.0000000 0.0000000 0.2128978), wk = 0.0036765 k( 121) = ( 0.0000000 0.0000000 0.2292745), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.2456513), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.2620280), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.2784048), wk = 0.0036765 k( 125) = ( 0.0000000 0.0000000 0.2947815), wk = 0.0036765 k( 126) = ( 0.0000000 0.0000000 0.3111583), wk = 0.0036765 k( 127) = ( 0.0000000 0.0000000 0.3111583), wk = 0.0036765 k( 128) = ( 0.0000000 0.0166667 0.3111583), wk = 0.0036765 k( 129) = ( 0.0000000 0.0333333 0.3111583), wk = 0.0036765 k( 130) = ( 0.0000000 0.0500000 0.3111583), wk = 0.0036765 k( 131) = ( 0.0000000 0.0666667 0.3111583), wk = 0.0036765 k( 132) = ( 0.0000000 0.0833333 0.3111583), wk = 0.0036765 k( 133) = ( 0.0000000 0.1000000 0.3111583), wk = 0.0036765 k( 134) = ( 0.0000000 0.1166667 0.3111583), wk = 0.0036765 k( 135) = ( 0.0000000 0.1333333 0.3111583), wk = 0.0036765 k( 136) = ( 0.0000000 0.1500000 0.3111583), wk = 0.0036765 k( 137) = ( 0.0000000 0.1666667 0.3111583), wk = 0.0036765 k( 138) = ( 0.0000000 0.1833333 0.3111583), wk = 0.0036765 k( 139) = ( 0.0000000 0.2000000 0.3111583), wk = 0.0036765 k( 140) = ( 0.0000000 0.2166667 0.3111583), wk = 0.0036765 k( 141) = ( 0.0000000 0.2333333 0.3111583), wk = 0.0036765 k( 142) = ( 0.0000000 0.2500000 0.3111583), wk = 0.0036765 k( 143) = ( 0.0000000 0.2666667 0.3111583), wk = 0.0036765 k( 144) = ( 0.0000000 0.2833333 0.3111583), wk = 0.0036765 k( 145) = ( 0.0000000 0.3000000 0.3111583), wk = 0.0036765 k( 146) = ( 0.0000000 0.3166667 0.3111583), wk = 0.0036765 k( 147) = ( 0.0000000 0.3333333 0.3111583), wk = 0.0036765 k( 148) = ( 0.0000000 0.3500000 0.3111583), wk = 0.0036765 k( 149) = ( 0.0000000 0.3666667 0.3111583), wk = 0.0036765 k( 150) = ( 0.0000000 0.3833333 0.3111583), wk = 0.0036765 k( 151) = ( 0.0000000 0.4000000 0.3111583), wk = 0.0036765 k( 152) = ( 0.0000000 0.4166667 0.3111583), wk = 0.0036765 k( 153) = ( 0.0000000 0.4333333 0.3111583), wk = 0.0036765 k( 154) = ( 0.0000000 0.4500000 0.3111583), wk = 0.0036765 k( 155) = ( 0.0000000 0.4666667 0.3111583), wk = 0.0036765 k( 156) = ( 0.0000000 0.4833333 0.3111583), wk = 0.0036765 k( 157) = ( 0.0000000 0.5000000 0.3111583), wk = 0.0036765 k( 158) = ( 0.0000000 0.5000000 0.3111583), wk = 0.0036765 k( 159) = ( 0.0166667 0.5000000 0.3111583), wk = 0.0036765 k( 160) = ( 0.0333333 0.5000000 0.3111583), wk = 0.0036765 k( 161) = ( 0.0500000 0.5000000 0.3111583), wk = 0.0036765 k( 162) = ( 0.0666667 0.5000000 0.3111583), wk = 0.0036765 k( 163) = ( 0.0833333 0.5000000 0.3111583), wk = 0.0036765 k( 164) = ( 0.1000000 0.5000000 0.3111583), wk = 0.0036765 k( 165) = ( 0.1166667 0.5000000 0.3111583), wk = 0.0036765 k( 166) = ( 0.1333333 0.5000000 0.3111583), wk = 0.0036765 k( 167) = ( 0.1500000 0.5000000 0.3111583), wk = 0.0036765 k( 168) = ( 0.1666667 0.5000000 0.3111583), wk = 0.0036765 k( 169) = ( 0.1833333 0.5000000 0.3111583), wk = 0.0036765 k( 170) = ( 0.2000000 0.5000000 0.3111583), wk = 0.0036765 k( 171) = ( 0.2166667 0.5000000 0.3111583), wk = 0.0036765 k( 172) = ( 0.2333333 0.5000000 0.3111583), wk = 0.0036765 k( 173) = ( 0.2500000 0.5000000 0.3111583), wk = 0.0036765 k( 174) = ( 0.2666667 0.5000000 0.3111583), wk = 0.0036765 k( 175) = ( 0.2833333 0.5000000 0.3111583), wk = 0.0036765 k( 176) = ( 0.3000000 0.5000000 0.3111583), wk = 0.0036765 k( 177) = ( 0.3166667 0.5000000 0.3111583), wk = 0.0036765 k( 178) = ( 0.3333333 0.5000000 0.3111583), wk = 0.0036765 k( 179) = ( 0.3500000 0.5000000 0.3111583), wk = 0.0036765 k( 180) = ( 0.3666667 0.5000000 0.3111583), wk = 0.0036765 k( 181) = ( 0.3833333 0.5000000 0.3111583), wk = 0.0036765 k( 182) = ( 0.4000000 0.5000000 0.3111583), wk = 0.0036765 k( 183) = ( 0.4166667 0.5000000 0.3111583), wk = 0.0036765 k( 184) = ( 0.4333333 0.5000000 0.3111583), wk = 0.0036765 k( 185) = ( 0.4500000 0.5000000 0.3111583), wk = 0.0036765 k( 186) = ( 0.4666667 0.5000000 0.3111583), wk = 0.0036765 k( 187) = ( 0.4833333 0.5000000 0.3111583), wk = 0.0036765 k( 188) = ( 0.5000000 0.5000000 0.3111583), wk = 0.0036765 k( 189) = ( 0.5000000 0.5000000 0.3111583), wk = 0.0036765 k( 190) = ( 0.4883721 0.4883721 0.3111583), wk = 0.0036765 k( 191) = ( 0.4767442 0.4767442 0.3111583), wk = 0.0036765 k( 192) = ( 0.4651163 0.4651163 0.3111583), wk = 0.0036765 k( 193) = ( 0.4534884 0.4534884 0.3111583), wk = 0.0036765 k( 194) = ( 0.4418605 0.4418605 0.3111583), wk = 0.0036765 k( 195) = ( 0.4302326 0.4302326 0.3111583), wk = 0.0036765 k( 196) = ( 0.4186047 0.4186046 0.3111583), wk = 0.0036765 k( 197) = ( 0.4069767 0.4069767 0.3111583), wk = 0.0036765 k( 198) = ( 0.3953488 0.3953488 0.3111583), wk = 0.0036765 k( 199) = ( 0.3837209 0.3837209 0.3111583), wk = 0.0036765 k( 200) = ( 0.3720930 0.3720930 0.3111583), wk = 0.0036765 k( 201) = ( 0.3604651 0.3604651 0.3111583), wk = 0.0036765 k( 202) = ( 0.3488372 0.3488372 0.3111583), wk = 0.0036765 k( 203) = ( 0.3372093 0.3372093 0.3111583), wk = 0.0036765 k( 204) = ( 0.3255814 0.3255814 0.3111583), wk = 0.0036765 k( 205) = ( 0.3139535 0.3139535 0.3111583), wk = 0.0036765 k( 206) = ( 0.3023256 0.3023256 0.3111583), wk = 0.0036765 k( 207) = ( 0.2906977 0.2906977 0.3111583), wk = 0.0036765 k( 208) = ( 0.2790698 0.2790698 0.3111583), wk = 0.0036765 k( 209) = ( 0.2674419 0.2674419 0.3111583), wk = 0.0036765 k( 210) = ( 0.2558140 0.2558140 0.3111583), wk = 0.0036765 k( 211) = ( 0.2441860 0.2441860 0.3111583), wk = 0.0036765 k( 212) = ( 0.2325581 0.2325581 0.3111583), wk = 0.0036765 k( 213) = ( 0.2209302 0.2209302 0.3111583), wk = 0.0036765 k( 214) = ( 0.2093023 0.2093023 0.3111583), wk = 0.0036765 k( 215) = ( 0.1976744 0.1976744 0.3111583), wk = 0.0036765 k( 216) = ( 0.1860465 0.1860465 0.3111583), wk = 0.0036765 k( 217) = ( 0.1744186 0.1744186 0.3111583), wk = 0.0036765 k( 218) = ( 0.1627907 0.1627907 0.3111583), wk = 0.0036765 k( 219) = ( 0.1511628 0.1511628 0.3111583), wk = 0.0036765 k( 220) = ( 0.1395349 0.1395349 0.3111583), wk = 0.0036765 k( 221) = ( 0.1279070 0.1279070 0.3111583), wk = 0.0036765 k( 222) = ( 0.1162791 0.1162791 0.3111583), wk = 0.0036765 k( 223) = ( 0.1046512 0.1046512 0.3111583), wk = 0.0036765 k( 224) = ( 0.0930233 0.0930233 0.3111583), wk = 0.0036765 k( 225) = ( 0.0813954 0.0813953 0.3111583), wk = 0.0036765 k( 226) = ( 0.0697674 0.0697674 0.3111583), wk = 0.0036765 k( 227) = ( 0.0581395 0.0581395 0.3111583), wk = 0.0036765 k( 228) = ( 0.0465116 0.0465116 0.3111583), wk = 0.0036765 k( 229) = ( 0.0348837 0.0348837 0.3111583), wk = 0.0036765 k( 230) = ( 0.0232558 0.0232558 0.3111583), wk = 0.0036765 k( 231) = ( 0.0116279 0.0116279 0.3111583), wk = 0.0036765 k( 232) = ( 0.0000000 0.0000000 0.3111583), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.0163768), wk = 0.0036765 k( 235) = ( 0.0000000 0.5000000 0.0327535), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0491303), wk = 0.0036765 k( 237) = ( 0.0000000 0.5000000 0.0655070), wk = 0.0036765 k( 238) = ( 0.0000000 0.5000000 0.0818838), wk = 0.0036765 k( 239) = ( 0.0000000 0.5000000 0.0982605), wk = 0.0036765 k( 240) = ( 0.0000000 0.5000000 0.1146373), wk = 0.0036765 k( 241) = ( 0.0000000 0.5000000 0.1310140), wk = 0.0036765 k( 242) = ( 0.0000000 0.5000000 0.1473908), wk = 0.0036765 k( 243) = ( 0.0000000 0.5000000 0.1637675), wk = 0.0036765 k( 244) = ( 0.0000000 0.5000000 0.1801443), wk = 0.0036765 k( 245) = ( 0.0000000 0.5000000 0.1965210), wk = 0.0036765 k( 246) = ( 0.0000000 0.5000000 0.2128978), wk = 0.0036765 k( 247) = ( 0.0000000 0.5000000 0.2292745), wk = 0.0036765 k( 248) = ( 0.0000000 0.5000000 0.2456513), wk = 0.0036765 k( 249) = ( 0.0000000 0.5000000 0.2620280), wk = 0.0036765 k( 250) = ( 0.0000000 0.5000000 0.2784048), wk = 0.0036765 k( 251) = ( 0.0000000 0.5000000 0.2947815), wk = 0.0036765 k( 252) = ( 0.0000000 0.5000000 0.3111583), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.0163768), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.0327535), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.0491303), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.0655070), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.0818838), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.0982605), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.1146373), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.1310140), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.1473908), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.1637675), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.1801443), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.1965210), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.2128978), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.2292745), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.2456513), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.2620280), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.2784048), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.2947815), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.3111583), wk = 0.0036765 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036765 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0036765 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0036765 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0036765 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0036765 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0036765 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0036765 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0036765 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0036765 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0036765 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0036765 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0036765 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0036765 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0036765 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0036765 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0036765 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0036765 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0036765 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0036765 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0036765 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0036765 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0036765 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0036765 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0036765 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0036765 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0036765 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0036765 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0036765 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0036765 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0036765 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0036765 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0036765 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0036765 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0036765 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0036765 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0036765 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0036765 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0036765 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0036765 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0036765 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0036765 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0036765 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0036765 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0036765 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0036765 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0036765 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0036765 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0036765 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0036765 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0036765 k( 53) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0036765 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0036765 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0036765 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0036765 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0036765 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0036765 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0036765 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0036765 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0036765 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 64) = ( 0.4883721 0.4883721 0.0000000), wk = 0.0036765 k( 65) = ( 0.4767442 0.4767442 0.0000000), wk = 0.0036765 k( 66) = ( 0.4651163 0.4651163 0.0000000), wk = 0.0036765 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0036765 k( 68) = ( 0.4418605 0.4418605 0.0000000), wk = 0.0036765 k( 69) = ( 0.4302326 0.4302326 0.0000000), wk = 0.0036765 k( 70) = ( 0.4186047 0.4186047 -0.0000000), wk = 0.0036765 k( 71) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0036765 k( 72) = ( 0.3953488 0.3953488 0.0000000), wk = 0.0036765 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0036765 k( 74) = ( 0.3720930 0.3720930 0.0000000), wk = 0.0036765 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0036765 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0036765 k( 77) = ( 0.3372093 0.3372093 0.0000000), wk = 0.0036765 k( 78) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0036765 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0036765 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0036765 k( 81) = ( 0.2906977 0.2906977 0.0000000), wk = 0.0036765 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0036765 k( 83) = ( 0.2674419 0.2674419 0.0000000), wk = 0.0036765 k( 84) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0036765 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0036765 k( 86) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0036765 k( 87) = ( 0.2209302 0.2209302 0.0000000), wk = 0.0036765 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0036765 k( 89) = ( 0.1976744 0.1976744 0.0000000), wk = 0.0036765 k( 90) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0036765 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0036765 k( 92) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0036765 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0036765 k( 94) = ( 0.1395349 0.1395349 0.0000000), wk = 0.0036765 k( 95) = ( 0.1279070 0.1279070 0.0000000), wk = 0.0036765 k( 96) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0036765 k( 97) = ( 0.1046512 0.1046512 0.0000000), wk = 0.0036765 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0036765 k( 99) = ( 0.0813954 0.0813954 0.0000000), wk = 0.0036765 k( 100) = ( 0.0697674 0.0697674 0.0000000), wk = 0.0036765 k( 101) = ( 0.0581395 0.0581395 0.0000000), wk = 0.0036765 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0036765 k( 103) = ( 0.0348837 0.0348837 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0.0000000 0.3421053), wk = 0.0036765 k( 121) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0036765 k( 122) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0036765 k( 123) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0036765 k( 124) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0036765 k( 125) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0036765 k( 126) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 128) = ( 0.0000000 0.0166667 0.5000000), wk = 0.0036765 k( 129) = ( 0.0000000 0.0333333 0.5000000), wk = 0.0036765 k( 130) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0036765 k( 131) = ( 0.0000000 0.0666667 0.5000000), wk = 0.0036765 k( 132) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0036765 k( 133) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0036765 k( 134) = ( 0.0000000 0.1166667 0.5000000), wk = 0.0036765 k( 135) = ( 0.0000000 0.1333333 0.5000000), wk = 0.0036765 k( 136) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0036765 k( 137) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0036765 k( 138) = ( 0.0000000 0.1833333 0.5000000), wk = 0.0036765 k( 139) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0036765 k( 140) = ( 0.0000000 0.2166667 0.5000000), wk = 0.0036765 k( 141) = ( 0.0000000 0.2333333 0.5000000), wk = 0.0036765 k( 142) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0036765 k( 143) = ( 0.0000000 0.2666667 0.5000000), wk = 0.0036765 k( 144) = ( 0.0000000 0.2833333 0.5000000), wk = 0.0036765 k( 145) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0036765 k( 146) = ( 0.0000000 0.3166667 0.5000000), wk = 0.0036765 k( 147) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0036765 k( 148) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0036765 k( 149) = ( 0.0000000 0.3666667 0.5000000), wk = 0.0036765 k( 150) = ( 0.0000000 0.3833333 0.5000000), wk = 0.0036765 k( 151) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0036765 k( 152) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0036765 k( 153) = ( 0.0000000 0.4333333 0.5000000), wk = 0.0036765 k( 154) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0036765 k( 155) = ( 0.0000000 0.4666667 0.5000000), wk = 0.0036765 k( 156) = ( 0.0000000 0.4833333 0.5000000), wk = 0.0036765 k( 157) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 158) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 159) = ( 0.0166667 0.5000000 0.5000000), wk = 0.0036765 k( 160) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0036765 k( 161) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0036765 k( 162) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0036765 k( 163) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0036765 k( 164) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0036765 k( 165) = ( 0.1166667 0.5000000 0.5000000), wk = 0.0036765 k( 166) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0036765 k( 167) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0036765 k( 168) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0036765 k( 169) = ( 0.1833333 0.5000000 0.5000000), wk = 0.0036765 k( 170) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0036765 k( 171) = ( 0.2166667 0.5000000 0.5000000), wk = 0.0036765 k( 172) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0036765 k( 173) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0036765 k( 174) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0036765 k( 175) = ( 0.2833333 0.5000000 0.5000000), wk = 0.0036765 k( 176) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0036765 k( 177) = ( 0.3166667 0.5000000 0.5000000), wk = 0.0036765 k( 178) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0036765 k( 179) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0036765 k( 180) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0036765 k( 181) = ( 0.3833333 0.5000000 0.5000000), wk = 0.0036765 k( 182) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0036765 k( 183) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0036765 k( 184) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0036765 k( 185) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0036765 k( 186) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0036765 k( 187) = ( 0.4833333 0.5000000 0.5000000), wk = 0.0036765 k( 188) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 189) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 k( 190) = ( 0.4883721 0.4883721 0.5000000), wk = 0.0036765 k( 191) = ( 0.4767442 0.4767442 0.5000000), wk = 0.0036765 k( 192) = ( 0.4651163 0.4651163 0.5000000), wk = 0.0036765 k( 193) = ( 0.4534884 0.4534884 0.5000000), wk = 0.0036765 k( 194) = ( 0.4418605 0.4418605 0.5000000), wk = 0.0036765 k( 195) = ( 0.4302326 0.4302326 0.5000000), wk = 0.0036765 k( 196) = ( 0.4186047 0.4186047 0.5000000), wk = 0.0036765 k( 197) = ( 0.4069767 0.4069767 0.5000000), wk = 0.0036765 k( 198) = ( 0.3953488 0.3953488 0.5000000), wk = 0.0036765 k( 199) = ( 0.3837209 0.3837209 0.5000000), wk = 0.0036765 k( 200) = ( 0.3720930 0.3720930 0.5000000), wk = 0.0036765 k( 201) = ( 0.3604651 0.3604651 0.5000000), wk = 0.0036765 k( 202) = ( 0.3488372 0.3488372 0.5000000), wk = 0.0036765 k( 203) = ( 0.3372093 0.3372093 0.5000000), wk = 0.0036765 k( 204) = ( 0.3255814 0.3255814 0.5000000), wk = 0.0036765 k( 205) = ( 0.3139535 0.3139535 0.5000000), wk = 0.0036765 k( 206) = ( 0.3023256 0.3023256 0.5000000), wk = 0.0036765 k( 207) = ( 0.2906977 0.2906977 0.5000000), wk = 0.0036765 k( 208) = ( 0.2790698 0.2790698 0.5000000), wk = 0.0036765 k( 209) = ( 0.2674419 0.2674419 0.5000000), wk = 0.0036765 k( 210) = ( 0.2558140 0.2558140 0.5000000), wk = 0.0036765 k( 211) = ( 0.2441860 0.2441860 0.5000000), wk = 0.0036765 k( 212) = ( 0.2325581 0.2325581 0.5000000), wk = 0.0036765 k( 213) = ( 0.2209302 0.2209302 0.5000000), wk = 0.0036765 k( 214) = ( 0.2093023 0.2093023 0.5000000), wk = 0.0036765 k( 215) = ( 0.1976744 0.1976744 0.5000000), wk = 0.0036765 k( 216) = ( 0.1860465 0.1860465 0.5000000), wk = 0.0036765 k( 217) = ( 0.1744186 0.1744186 0.5000000), wk = 0.0036765 k( 218) = ( 0.1627907 0.1627907 0.5000000), wk = 0.0036765 k( 219) = ( 0.1511628 0.1511628 0.5000000), wk = 0.0036765 k( 220) = ( 0.1395349 0.1395349 0.5000000), wk = 0.0036765 k( 221) = ( 0.1279070 0.1279070 0.5000000), wk = 0.0036765 k( 222) = ( 0.1162791 0.1162791 0.5000000), wk = 0.0036765 k( 223) = ( 0.1046512 0.1046512 0.5000000), wk = 0.0036765 k( 224) = ( 0.0930233 0.0930233 0.5000000), wk = 0.0036765 k( 225) = ( 0.0813954 0.0813954 0.5000000), wk = 0.0036765 k( 226) = ( 0.0697674 0.0697674 0.5000000), wk = 0.0036765 k( 227) = ( 0.0581395 0.0581395 0.5000000), wk = 0.0036765 k( 228) = ( 0.0465116 0.0465116 0.5000000), wk = 0.0036765 k( 229) = ( 0.0348837 0.0348837 0.5000000), wk = 0.0036765 k( 230) = ( 0.0232558 0.0232558 0.5000000), wk = 0.0036765 k( 231) = ( 0.0116279 0.0116279 0.5000000), wk = 0.0036765 k( 232) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036765 k( 233) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0036765 k( 234) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0036765 k( 235) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0036765 k( 236) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0036765 k( 237) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0036765 k( 238) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0036765 k( 239) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0036765 k( 240) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0036765 k( 241) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0036765 k( 242) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0036765 k( 243) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0036765 k( 244) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0036765 k( 245) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0036765 k( 246) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0036765 k( 247) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0036765 k( 248) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0036765 k( 249) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0036765 k( 250) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0036765 k( 251) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0036765 k( 252) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0036765 k( 253) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0036765 k( 254) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0036765 k( 255) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0036765 k( 256) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0036765 k( 257) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0036765 k( 258) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0036765 k( 259) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0036765 k( 260) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0036765 k( 261) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0036765 k( 262) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0036765 k( 263) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0036765 k( 264) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0036765 k( 265) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0036765 k( 266) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0036765 k( 267) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0036765 k( 268) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0036765 k( 269) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0036765 k( 270) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0036765 k( 271) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0036765 k( 272) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0036765 Dense grid: 156827 G-vectors FFT dimensions: ( 60, 60, 96) Smooth grid: 153979 G-vectors FFT dimensions: ( 60, 60, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 548, 58) NL pseudopotentials 0.92 Mb ( 274, 220) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2182) G-vector shells 0.01 Mb ( 1067) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.94 Mb ( 548, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.39 Mb ( 220, 2, 58) The potential is recalculated from file : ./CsNaTe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.4 secs Computing kpt #: 3 total cpu time spent up to now is 6.8 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 10.0 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 13.0 secs Computing kpt #: 8 total cpu time spent up to now is 14.4 secs Computing kpt #: 9 total cpu time spent up to now is 15.9 secs Computing kpt #: 10 total cpu time spent up to now is 17.3 secs Computing kpt #: 11 total cpu time spent up to now is 19.0 secs Computing kpt #: 12 total cpu time spent up to now is 21.0 secs Computing kpt #: 13 total cpu time spent up to now is 22.5 secs Computing kpt #: 14 total cpu time spent up to now is 24.0 secs Computing kpt #: 15 total cpu time spent up to now is 25.5 secs Computing kpt #: 16 total cpu time spent up to now is 27.0 secs Computing kpt #: 17 total cpu time spent up to now is 28.6 secs Computing kpt #: 18 total cpu time spent up to now is 30.2 secs Computing kpt #: 19 total cpu time spent up to now is 31.7 secs Computing kpt #: 20 total cpu time spent up to now is 33.3 secs Computing kpt #: 21 total cpu time spent up to now is 34.8 secs Computing kpt #: 22 total cpu time spent up to now is 36.3 secs Computing kpt #: 23 total cpu time spent up to now is 37.9 secs Computing kpt #: 24 total cpu time spent up to now is 39.4 secs Computing kpt #: 25 total cpu time spent up to now is 40.8 secs Computing kpt #: 26 total cpu time spent up to now is 42.3 secs Computing kpt #: 27 total cpu time spent up to now is 43.8 secs Computing kpt #: 28 total cpu time spent up to now is 45.3 secs Computing kpt #: 29 total cpu time spent up to now is 46.7 secs Computing kpt #: 30 total cpu time spent up to now is 48.2 secs Computing kpt #: 31 total cpu time spent up to now is 49.5 secs Computing kpt #: 32 total cpu time spent up to now is 50.9 secs Computing kpt #: 33 total cpu time spent up to now is 52.4 secs Computing kpt #: 34 total cpu time spent up to now is 53.9 secs Computing kpt #: 35 total cpu time spent up to now is 55.4 secs Computing kpt #: 36 total cpu time spent up to now is 56.8 secs Computing kpt #: 37 total cpu time spent up to now is 58.3 secs Computing kpt #: 38 total cpu time spent up to now is 60.6 secs Computing kpt #: 39 total cpu time spent up to now is 62.6 secs Computing kpt #: 40 total cpu time spent up to now is 64.6 secs Computing kpt #: 41 total cpu time spent up to now is 66.6 secs Computing kpt #: 42 total cpu time spent up to now is 68.5 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 72.2 secs Computing kpt #: 44 total cpu time spent up to now is 74.9 secs Computing kpt #: 45 total cpu time spent up to now is 76.7 secs Computing kpt #: 46 total cpu time spent up to now is 78.6 secs Computing kpt #: 47 total cpu time spent up to now is 81.3 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 84.8 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.3 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 91.8 secs Computing kpt #: 51 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.2 secs Computing kpt #: 52 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.7 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 102.2 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.7 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 109.2 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 112.6 secs Computing kpt #: 57 total cpu time spent up to now is 115.5 secs Computing kpt #: 58 total cpu time spent up to now is 117.7 secs Computing kpt #: 59 total cpu time spent up to now is 120.0 secs Computing kpt #: 60 total cpu time spent up to now is 121.4 secs Computing kpt #: 61 total cpu time spent up to now is 122.9 secs Computing kpt #: 62 total cpu time spent up to now is 124.3 secs Computing kpt #: 63 total cpu time spent up to now is 125.7 secs Computing kpt #: 64 total cpu time spent up to now is 127.1 secs Computing kpt #: 65 total cpu time spent up to now is 129.3 secs Computing kpt #: 66 total cpu time spent up to now is 131.7 secs Computing kpt #: 67 total cpu time spent up to now is 135.0 secs Computing kpt #: 68 total cpu time spent up to now is 137.7 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.2 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 144.6 secs Computing kpt #: 71 total cpu time spent up to now is 146.6 secs Computing kpt #: 72 total cpu time spent up to now is 148.3 secs Computing kpt #: 73 total cpu time spent up to now is 149.9 secs Computing kpt #: 74 total cpu time spent up to now is 151.6 secs Computing kpt #: 75 total cpu time spent up to now is 153.0 secs Computing kpt #: 76 total cpu time spent up to now is 154.4 secs Computing kpt #: 77 total cpu time spent up to now is 155.9 secs Computing kpt #: 78 total cpu time spent up to now is 157.3 secs Computing kpt #: 79 total cpu time spent up to now is 158.8 secs Computing kpt #: 80 total cpu time spent up to now is 160.2 secs Computing kpt #: 81 total cpu time spent up to now is 161.6 secs Computing kpt #: 82 total cpu time spent up to now is 162.9 secs Computing kpt #: 83 total cpu time spent up to now is 164.4 secs Computing kpt #: 84 total cpu time spent up to now is 165.8 secs Computing kpt #: 85 total cpu time spent up to now is 167.2 secs Computing kpt #: 86 total cpu time spent up to now is 168.6 secs Computing kpt #: 87 total cpu time spent up to now is 170.0 secs Computing kpt #: 88 total cpu time spent up to now is 171.4 secs Computing kpt #: 89 total cpu time spent up to now is 172.8 secs Computing kpt #: 90 total cpu time spent up to now is 174.2 secs Computing kpt #: 91 total cpu time spent up to now is 175.6 secs Computing kpt #: 92 total cpu time spent up to now is 177.1 secs Computing kpt #: 93 total cpu time spent up to now is 178.7 secs Computing kpt #: 94 total cpu time spent up to now is 180.2 secs Computing kpt #: 95 total cpu time spent up to now is 182.1 secs Computing kpt #: 96 total cpu time spent up to now is 184.0 secs Computing kpt #: 97 total cpu time spent up to now is 185.6 secs Computing kpt #: 98 total cpu time spent up to now is 187.1 secs Computing kpt #: 99 total cpu time spent up to now is 188.7 secs Computing kpt #: 100 total cpu time spent up to now is 190.2 secs Computing kpt #: 101 total cpu time spent up to now is 191.7 secs Computing kpt #: 102 total cpu time spent up to now is 193.2 secs Computing kpt #: 103 total cpu time spent up to now is 194.7 secs Computing kpt #: 104 total cpu time spent up to now is 196.2 secs Computing kpt #: 105 total cpu time spent up to now is 197.7 secs Computing kpt #: 106 total cpu time spent up to now is 199.2 secs Computing kpt #: 107 total cpu time spent up to now is 200.7 secs Computing kpt #: 108 total cpu time spent up to now is 202.1 secs Computing kpt #: 109 total cpu time spent up to now is 203.6 secs Computing kpt #: 110 total cpu time spent up to now is 205.2 secs Computing kpt #: 111 total cpu time spent up to now is 207.4 secs Computing kpt #: 112 total cpu time spent up to now is 209.5 secs Computing kpt #: 113 total cpu time spent up to now is 211.7 secs Computing kpt #: 114 total cpu time spent up to now is 213.7 secs Computing kpt #: 115 total cpu time spent up to now is 216.0 secs Computing kpt #: 116 total cpu time spent up to now is 218.3 secs Computing kpt #: 117 total cpu time spent up to now is 220.1 secs Computing kpt #: 118 total cpu time spent up to now is 222.0 secs Computing kpt #: 119 total cpu time spent up to now is 223.8 secs Computing kpt #: 120 total cpu time spent up to now is 226.0 secs Computing kpt #: 121 total cpu time spent up to now is 228.2 secs Computing kpt #: 122 total cpu time spent up to now is 230.5 secs Computing kpt #: 123 total cpu time spent up to now is 232.8 secs Computing kpt #: 124 total cpu time spent up to now is 235.0 secs Computing kpt #: 125 total cpu time spent up to now is 236.9 secs Computing kpt #: 126 total cpu time spent up to now is 238.8 secs Computing kpt #: 127 total cpu time spent up to now is 240.7 secs Computing kpt #: 128 total cpu time spent up to now is 242.2 secs Computing kpt #: 129 total cpu time spent up to now is 243.7 secs Computing kpt #: 130 total cpu time spent up to now is 245.3 secs Computing kpt #: 131 total cpu time spent up to now is 246.9 secs Computing kpt #: 132 total cpu time spent up to now is 248.5 secs Computing kpt #: 133 total cpu time spent up to now is 250.4 secs Computing kpt #: 134 total cpu time spent up to now is 252.3 secs Computing kpt #: 135 total cpu time spent up to now is 253.9 secs Computing kpt #: 136 total cpu time spent up to now is 255.9 secs Computing kpt #: 137 total cpu time spent up to now is 257.8 secs Computing kpt #: 138 total cpu time spent up to now is 259.7 secs Computing kpt #: 139 total cpu time spent up to now is 261.6 secs Computing kpt #: 140 total cpu time spent up to now is 263.5 secs Computing kpt #: 141 total cpu time spent up to now is 265.1 secs Computing kpt #: 142 total cpu time spent up to now is 266.9 secs Computing kpt #: 143 total cpu time spent up to now is 269.0 secs Computing kpt #: 144 total cpu time spent up to now is 270.7 secs Computing kpt #: 145 total cpu time spent up to now is 272.3 secs Computing kpt #: 146 total cpu time spent up to now is 274.1 secs Computing kpt #: 147 total cpu time spent up to now is 275.8 secs Computing kpt #: 148 total cpu time spent up to now is 277.4 secs Computing kpt #: 149 total cpu time spent up to now is 279.2 secs Computing kpt #: 150 total cpu time spent up to now is 280.8 secs Computing kpt #: 151 total cpu time spent up to now is 282.4 secs Computing kpt #: 152 total cpu time spent up to now is 284.0 secs Computing kpt #: 153 total cpu time spent up to now is 285.7 secs Computing kpt #: 154 total cpu time spent up to now is 287.9 secs Computing kpt #: 155 total cpu time spent up to now is 289.9 secs Computing kpt #: 156 total cpu time spent up to now is 291.9 secs Computing kpt #: 157 total cpu time spent up to now is 293.5 secs Computing kpt #: 158 total cpu time spent up to now is 295.1 secs Computing kpt #: 159 total cpu time spent up to now is 296.7 secs Computing kpt #: 160 total cpu time spent up to now is 298.2 secs Computing kpt #: 161 total cpu time spent up to now is 299.8 secs Computing kpt #: 162 total cpu time spent up to now is 301.5 secs Computing kpt #: 163 total cpu time spent up to now is 303.1 secs Computing kpt #: 164 total cpu time spent up to now is 306.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.9 secs Computing kpt #: 166 total cpu time spent up to now is 313.1 secs Computing kpt #: 167 total cpu time spent up to now is 315.9 secs Computing kpt #: 168 total cpu time spent up to now is 318.2 secs Computing kpt #: 169 total cpu time spent up to now is 320.5 secs Computing kpt #: 170 total cpu time spent up to now is 322.9 secs Computing kpt #: 171 total cpu time spent up to now is 324.8 secs Computing kpt #: 172 total cpu time spent up to now is 326.7 secs Computing kpt #: 173 total cpu time spent up to now is 328.6 secs Computing kpt #: 174 total cpu time spent up to now is 330.1 secs Computing kpt #: 175 total cpu time spent up to now is 331.6 secs Computing kpt #: 176 total cpu time spent up to now is 333.1 secs Computing kpt #: 177 total cpu time spent up to now is 334.6 secs Computing kpt #: 178 total cpu time spent up to now is 336.0 secs Computing kpt #: 179 total cpu time spent up to now is 337.5 secs Computing kpt #: 180 total cpu time spent up to now is 339.0 secs Computing kpt #: 181 total cpu time spent up to now is 340.4 secs Computing kpt #: 182 total cpu time spent up to now is 341.9 secs Computing kpt #: 183 total cpu time spent up to now is 343.4 secs Computing kpt #: 184 total cpu time spent up to now is 344.8 secs Computing kpt #: 185 total cpu time spent up to now is 346.3 secs Computing kpt #: 186 total cpu time spent up to now is 347.7 secs Computing kpt #: 187 total cpu time spent up to now is 349.6 secs Computing kpt #: 188 total cpu time spent up to now is 351.1 secs Computing kpt #: 189 total cpu time spent up to now is 352.5 secs Computing kpt #: 190 total cpu time spent up to now is 354.4 secs Computing kpt #: 191 total cpu time spent up to now is 356.0 secs Computing kpt #: 192 total cpu time spent up to now is 357.5 secs Computing kpt #: 193 total cpu time spent up to now is 359.0 secs Computing kpt #: 194 total cpu time spent up to now is 360.6 secs Computing kpt #: 195 total cpu time spent up to now is 362.0 secs Computing kpt #: 196 total cpu time spent up to now is 363.6 secs Computing kpt #: 197 total cpu time spent up to now is 365.3 secs Computing kpt #: 198 total cpu time spent up to now is 366.9 secs Computing kpt #: 199 total cpu time spent up to now is 368.8 secs Computing kpt #: 200 total cpu time spent up to now is 370.7 secs Computing kpt #: 201 total cpu time spent up to now is 372.4 secs Computing kpt #: 202 total cpu time spent up to now is 374.4 secs Computing kpt #: 203 total cpu time spent up to now is 376.3 secs Computing kpt #: 204 total cpu time spent up to now is 377.9 secs Computing kpt #: 205 total cpu time spent up to now is 379.5 secs Computing kpt #: 206 total cpu time spent up to now is 381.5 secs Computing kpt #: 207 total cpu time spent up to now is 384.8 secs Computing kpt #: 208 total cpu time spent up to now is 386.7 secs Computing kpt #: 209 total cpu time spent up to now is 388.3 secs Computing kpt #: 210 total cpu time spent up to now is 389.9 secs Computing kpt #: 211 total cpu time spent up to now is 391.4 secs Computing kpt #: 212 total cpu time spent up to now is 392.9 secs Computing kpt #: 213 total cpu time spent up to now is 394.4 secs Computing kpt #: 214 total cpu time spent up to now is 396.1 secs Computing kpt #: 215 total cpu time spent up to now is 397.7 secs Computing kpt #: 216 total cpu time spent up to now is 399.2 secs Computing kpt #: 217 total cpu time spent up to now is 400.7 secs Computing kpt #: 218 total cpu time spent up to now is 402.1 secs Computing kpt #: 219 total cpu time spent up to now is 403.6 secs Computing kpt #: 220 total cpu time spent up to now is 405.0 secs Computing kpt #: 221 total cpu time spent up to now is 406.9 secs Computing kpt #: 222 total cpu time spent up to now is 408.7 secs Computing kpt #: 223 total cpu time spent up to now is 410.6 secs Computing kpt #: 224 total cpu time spent up to now is 412.1 secs Computing kpt #: 225 total cpu time spent up to now is 413.7 secs Computing kpt #: 226 total cpu time spent up to now is 415.5 secs Computing kpt #: 227 total cpu time spent up to now is 417.4 secs Computing kpt #: 228 total cpu time spent up to now is 419.2 secs Computing kpt #: 229 total cpu time spent up to now is 421.4 secs Computing kpt #: 230 total cpu time spent up to now is 423.0 secs Computing kpt #: 231 total cpu time spent up to now is 424.6 secs Computing kpt #: 232 total cpu time spent up to now is 426.6 secs Computing kpt #: 233 total cpu time spent up to now is 427.9 secs Computing kpt #: 234 total cpu time spent up to now is 429.3 secs Computing kpt #: 235 total cpu time spent up to now is 430.7 secs Computing kpt #: 236 total cpu time spent up to now is 432.2 secs Computing kpt #: 237 total cpu time spent up to now is 433.6 secs Computing kpt #: 238 total cpu time spent up to now is 435.0 secs Computing kpt #: 239 total cpu time spent up to now is 436.5 secs Computing kpt #: 240 total cpu time spent up to now is 437.9 secs Computing kpt #: 241 total cpu time spent up to now is 439.4 secs Computing kpt #: 242 total cpu time spent up to now is 440.8 secs Computing kpt #: 243 total cpu time spent up to now is 442.3 secs Computing kpt #: 244 total cpu time spent up to now is 443.8 secs Computing kpt #: 245 total cpu time spent up to now is 445.3 secs Computing kpt #: 246 total cpu time spent up to now is 446.8 secs Computing kpt #: 247 total cpu time spent up to now is 448.2 secs Computing kpt #: 248 total cpu time spent up to now is 449.8 secs Computing kpt #: 249 total cpu time spent up to now is 451.3 secs Computing kpt #: 250 total cpu time spent up to now is 452.9 secs Computing kpt #: 251 total cpu time spent up to now is 454.4 secs Computing kpt #: 252 total cpu time spent up to now is 456.0 secs Computing kpt #: 253 total cpu time spent up to now is 457.4 secs Computing kpt #: 254 total cpu time spent up to now is 458.8 secs Computing kpt #: 255 total cpu time spent up to now is 460.2 secs Computing kpt #: 256 total cpu time spent up to now is 461.7 secs Computing kpt #: 257 total cpu time spent up to now is 463.1 secs Computing kpt #: 258 total cpu time spent up to now is 464.5 secs Computing kpt #: 259 total cpu time spent up to now is 465.9 secs Computing kpt #: 260 total cpu time spent up to now is 467.3 secs Computing kpt #: 261 total cpu time spent up to now is 468.8 secs Computing kpt #: 262 total cpu time spent up to now is 470.3 secs Computing kpt #: 263 total cpu time spent up to now is 471.8 secs Computing kpt #: 264 total cpu time spent up to now is 473.2 secs Computing kpt #: 265 total cpu time spent up to now is 474.6 secs Computing kpt #: 266 total cpu time spent up to now is 476.0 secs Computing kpt #: 267 total cpu time spent up to now is 477.5 secs Computing kpt #: 268 total cpu time spent up to now is 478.8 secs Computing kpt #: 269 total cpu time spent up to now is 480.3 secs Computing kpt #: 270 total cpu time spent up to now is 481.5 secs Computing kpt #: 271 total cpu time spent up to now is 482.7 secs Computing kpt #: 272 total cpu time spent up to now is 484.2 secs ethr = 2.08E-08, avg # of iterations = 41.9 total cpu time spent up to now is 484.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 19253 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3722 -5.3722 -5.3603 -5.3603 -5.2245 -5.2245 -4.9052 -4.9052 -3.9025 -3.9025 -3.8301 -3.8301 -3.5905 -3.5905 -3.5557 -3.5557 2.4877 2.4877 3.0888 3.0888 3.1637 3.1637 3.5406 3.5406 3.7783 3.7783 3.9077 3.9077 5.9832 5.9832 6.1839 6.1839 7.4412 7.4412 7.4730 7.4730 8.0538 8.0538 k = 0.0000 0.0167-0.0000 ( 19261 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3799 -5.3799 -5.3525 -5.3525 -5.2254 -5.2254 -4.9046 -4.9046 -3.9026 -3.9026 -3.8296 -3.8296 -3.5902 -3.5902 -3.5559 -3.5559 2.4883 2.4883 3.0851 3.0851 3.1647 3.1647 3.5385 3.5385 3.7780 3.7780 3.9042 3.9042 5.9898 5.9898 6.1877 6.1877 7.4409 7.4409 7.4766 7.4766 8.0483 8.0483 k = 0.0000 0.0333-0.0000 ( 19259 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4287 -16.4287 -16.3706 -16.3706 -5.3915 -5.3915 -5.3410 -5.3410 -5.2280 -5.2280 -4.9028 -4.9028 -3.9026 -3.9026 -3.8284 -3.8284 -3.5896 -3.5896 -3.5566 -3.5566 2.4900 2.4900 3.0748 3.0748 3.1671 3.1671 3.5321 3.5321 3.7771 3.7771 3.8942 3.8942 6.0092 6.0092 6.1993 6.1993 7.4399 7.4399 7.4873 7.4873 8.0321 8.0321 k = 0.0000 0.0500-0.0000 ( 19237 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4284 -16.4284 -16.3707 -16.3707 -5.4034 -5.4034 -5.3294 -5.3294 -5.2320 -5.2320 -4.9001 -4.9001 -3.9027 -3.9027 -3.8263 -3.8263 -3.5885 -3.5885 -3.5576 -3.5576 2.4928 2.4928 3.0592 3.0592 3.1695 3.1695 3.5219 3.5219 3.7746 3.7746 3.8790 3.8790 6.0408 6.0408 6.2185 6.2185 7.4377 7.4377 7.5050 7.5050 8.0060 8.0060 k = 0.0000 0.0667-0.0000 ( 19227 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2546 -19.2546 -19.2521 -19.2521 -19.2512 -19.2512 -19.2337 -19.2337 -16.4280 -16.4280 -16.3709 -16.3709 -5.4152 -5.4152 -5.3184 -5.3184 -5.2368 -5.2368 -4.8964 -4.8964 -3.9027 -3.9027 -3.8235 -3.8235 -3.5872 -3.5872 -3.5589 -3.5589 2.4966 2.4966 3.0394 3.0394 3.1709 3.1709 3.5084 3.5084 3.7694 3.7694 3.8608 3.8608 6.0836 6.0836 6.2450 6.2450 7.4337 7.4337 7.5296 7.5296 7.9720 7.9720 k = 0.0000 0.0833-0.0000 ( 19221 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4224 -19.4224 -19.2545 -19.2545 -19.2520 -19.2520 -19.2512 -19.2512 -19.2339 -19.2339 -16.4275 -16.4275 -16.3711 -16.3711 -5.4269 -5.4269 -5.3092 -5.3092 -5.2413 -5.2413 -4.8921 -4.8921 -3.9027 -3.9027 -3.8198 -3.8198 -3.5858 -3.5858 -3.5603 -3.5603 2.5012 2.5012 3.0160 3.0160 3.1705 3.1705 3.4920 3.4920 3.7589 3.7589 3.8431 3.8431 6.1362 6.1362 6.2785 6.2785 7.4268 7.4268 7.5606 7.5606 7.9337 7.9337 k = 0.0000 0.1000-0.0000 ( 19237 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4224 -19.4224 -19.2545 -19.2545 -19.2518 -19.2518 -19.2513 -19.2513 -19.2341 -19.2341 -16.4269 -16.4269 -16.3713 -16.3713 -5.4383 -5.4383 -5.3034 -5.3034 -5.2437 -5.2437 -4.8873 -4.8873 -3.9025 -3.9025 -3.8154 -3.8154 -3.5846 -3.5846 -3.5618 -3.5618 2.5065 2.5065 2.9897 2.9897 3.1679 3.1679 3.4735 3.4735 3.7412 3.7412 3.8293 3.8293 6.1973 6.1973 6.3187 6.3187 7.4159 7.4159 7.5977 7.5977 7.8950 7.8950 k = 0.0000 0.1167-0.0000 ( 19231 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4312 -19.4312 -19.4225 -19.4225 -19.2545 -19.2545 -19.2517 -19.2517 -19.2513 -19.2513 -19.2342 -19.2342 -16.4262 -16.4262 -16.3717 -16.3717 -5.4495 -5.4495 -5.3030 -5.3030 -5.2415 -5.2415 -4.8823 -4.8823 -3.9022 -3.9022 -3.8102 -3.8102 -3.5840 -3.5840 -3.5628 -3.5628 2.5122 2.5122 2.9608 2.9608 3.1628 3.1628 3.4536 3.4536 3.7167 3.7167 3.8202 3.8202 6.2654 6.2654 6.3650 6.3650 7.4000 7.4000 7.6401 7.6401 7.8594 7.8594 k = 0.0000 0.1333-0.0000 ( 19229 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4311 -19.4311 -19.4226 -19.4226 -19.2545 -19.2545 -19.2516 -19.2516 -19.2513 -19.2513 -19.2344 -19.2344 -16.4254 -16.4254 -16.3720 -16.3720 -5.4603 -5.4603 -5.3083 -5.3083 -5.2345 -5.2345 -4.8772 -4.8772 -3.9016 -3.9016 -3.8043 -3.8043 -3.5847 -3.5847 -3.5629 -3.5629 2.5179 2.5179 2.9296 2.9296 3.1549 3.1549 3.4332 3.4332 3.6879 3.6879 3.8142 3.8142 6.3394 6.3394 6.4171 6.4171 7.3783 7.3783 7.6867 7.6867 7.8294 7.8294 k = 0.0000 0.1500-0.0000 ( 19223 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4310 -19.4310 -19.4227 -19.4227 -19.2544 -19.2544 -19.2515 -19.2515 -19.2512 -19.2512 -19.2347 -19.2347 -16.4245 -16.4245 -16.3724 -16.3724 -5.4709 -5.4709 -5.3176 -5.3176 -5.2242 -5.2242 -4.8722 -4.8722 -3.9007 -3.9007 -3.7977 -3.7977 -3.5868 -3.5868 -3.5619 -3.5619 2.5233 2.5233 2.8967 2.8967 3.1442 3.1442 3.4130 3.4130 3.6575 3.6575 3.8096 3.8096 6.4180 6.4180 6.4743 6.4743 7.3511 7.3511 7.7355 7.7355 7.8066 7.8066 k = 0.0000 0.1667-0.0000 ( 19215 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4309 -19.4309 -19.4228 -19.4228 -19.2544 -19.2544 -19.2515 -19.2515 -19.2510 -19.2510 -19.2349 -19.2349 -16.4236 -16.4236 -16.3729 -16.3729 -5.4811 -5.4811 -5.3291 -5.3291 -5.2121 -5.2121 -4.8676 -4.8676 -3.8995 -3.8995 -3.7905 -3.7905 -3.5902 -3.5902 -3.5601 -3.5601 2.5279 2.5279 2.8624 2.8624 3.1307 3.1307 3.3940 3.3940 3.6270 3.6270 3.8054 3.8054 6.5000 6.5000 6.5363 6.5363 7.3194 7.3194 7.7775 7.7775 7.7976 7.7976 k = 0.0000 0.1833-0.0000 ( 19219 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4307 -19.4307 -19.4230 -19.4230 -19.2544 -19.2544 -19.2516 -19.2516 -19.2508 -19.2508 -19.2352 -19.2352 -16.4225 -16.4225 -16.3734 -16.3734 -5.4909 -5.4909 -5.3420 -5.3420 -5.1989 -5.1989 -4.8634 -4.8634 -3.8978 -3.8978 -3.7826 -3.7826 -3.5946 -3.5946 -3.5578 -3.5578 2.5311 2.5311 2.8272 2.8272 3.1151 3.1151 3.3766 3.3766 3.5975 3.5975 3.8010 3.8010 6.5838 6.5838 6.6027 6.6027 7.2850 7.2850 7.7753 7.7753 7.8247 7.8247 k = 0.0000 0.2000-0.0000 ( 19226 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4306 -19.4306 -19.4231 -19.4231 -19.2543 -19.2543 -19.2516 -19.2516 -19.2506 -19.2506 -19.2355 -19.2355 -16.4213 -16.4213 -16.3740 -16.3740 -5.5002 -5.5002 -5.3557 -5.3557 -5.1851 -5.1851 -4.8597 -4.8597 -3.8956 -3.8956 -3.7743 -3.7743 -3.5998 -3.5998 -3.5553 -3.5553 2.5323 2.5323 2.7914 2.7914 3.0982 3.0982 3.3613 3.3613 3.5695 3.5695 3.7961 3.7961 6.6642 6.6642 6.6769 6.6769 7.2503 7.2503 7.7684 7.7684 7.8017 7.8017 k = 0.0000 0.2167-0.0000 ( 19232 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4305 -19.4305 -19.4232 -19.4232 -19.2543 -19.2543 -19.2517 -19.2517 -19.2503 -19.2503 -19.2358 -19.2358 -16.4201 -16.4201 -16.3746 -16.3746 -5.5091 -5.5091 -5.3698 -5.3698 -5.1708 -5.1708 -4.8567 -4.8567 -3.8930 -3.8930 -3.7654 -3.7654 -3.6057 -3.6057 -3.5529 -3.5529 2.5307 2.5307 2.7555 2.7555 3.0814 3.0814 3.3481 3.3481 3.5432 3.5432 3.7906 3.7906 6.7359 6.7359 6.7620 6.7620 7.2180 7.2180 7.7605 7.7605 7.7838 7.7838 k = 0.0000 0.2333-0.0000 ( 19256 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4303 -19.4303 -19.4234 -19.4234 -19.2543 -19.2543 -19.2517 -19.2517 -19.2500 -19.2500 -19.2361 -19.2361 -16.4188 -16.4188 -16.3753 -16.3753 -5.5175 -5.5175 -5.3842 -5.3842 -5.1563 -5.1563 -4.8544 -4.8544 -3.8898 -3.8898 -3.7561 -3.7561 -3.6121 -3.6121 -3.5505 -3.5505 2.5258 2.5258 2.7198 2.7198 3.0662 3.0662 3.3367 3.3367 3.5187 3.5187 3.7841 3.7841 6.8037 6.8037 6.8494 6.8494 7.1918 7.1918 7.7466 7.7466 7.7777 7.7777 k = 0.0000 0.2500-0.0000 ( 19262 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4302 -19.4302 -19.4236 -19.4236 -19.2542 -19.2542 -19.2518 -19.2518 -19.2497 -19.2497 -19.2365 -19.2365 -16.4175 -16.4175 -16.3761 -16.3761 -5.5253 -5.5253 -5.3985 -5.3985 -5.1417 -5.1417 -4.8530 -4.8530 -3.8860 -3.8860 -3.7465 -3.7465 -3.6190 -3.6190 -3.5485 -3.5485 2.5174 2.5174 2.6844 2.6844 3.0538 3.0538 3.3269 3.3269 3.4963 3.4963 3.7766 3.7766 6.8642 6.8642 6.9368 6.9368 7.1773 7.1773 7.7314 7.7314 7.7783 7.7783 k = 0.0000 0.2667-0.0000 ( 19264 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4300 -19.4300 -19.4238 -19.4238 -19.2542 -19.2542 -19.2519 -19.2519 -19.2494 -19.2494 -19.2369 -19.2369 -16.4160 -16.4160 -16.3769 -16.3769 -5.5326 -5.5326 -5.4128 -5.4128 -5.1269 -5.1269 -4.8523 -4.8523 -3.8817 -3.8817 -3.7366 -3.7366 -3.6262 -3.6262 -3.5469 -3.5469 2.5053 2.5053 2.6497 2.6497 3.0452 3.0452 3.3181 3.3181 3.4761 3.4761 3.7679 3.7679 6.9094 6.9094 7.0230 7.0230 7.1832 7.1832 7.7186 7.7186 7.7802 7.7802 k = 0.0000 0.2833-0.0000 ( 19252 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4298 -19.4298 -19.4239 -19.4239 -19.2541 -19.2541 -19.2520 -19.2520 -19.2491 -19.2491 -19.2373 -19.2373 -16.4146 -16.4146 -16.3777 -16.3777 -5.5392 -5.5392 -5.4268 -5.4268 -5.1120 -5.1120 -4.8525 -4.8525 -3.8767 -3.8767 -3.7266 -3.7266 -3.6337 -3.6337 -3.5457 -3.5457 2.4900 2.4900 2.6156 2.6156 3.0409 3.0409 3.3100 3.3100 3.4583 3.4583 3.7581 3.7581 6.9323 6.9323 7.1068 7.1068 7.2161 7.2161 7.7093 7.7093 7.7758 7.7758 k = 0.0000 0.3000-0.0000 ( 19248 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4296 -19.4296 -19.4241 -19.4241 -19.2540 -19.2540 -19.2521 -19.2521 -19.2487 -19.2487 -19.2377 -19.2377 -16.4131 -16.4131 -16.3787 -16.3787 -5.5452 -5.5452 -5.4405 -5.4405 -5.0972 -5.0972 -4.8537 -4.8537 -3.8712 -3.8712 -3.7167 -3.7167 -3.6413 -3.6413 -3.5450 -3.5450 2.4722 2.4722 2.5824 2.5824 3.0409 3.0409 3.3020 3.3020 3.4434 3.4434 3.7468 3.7468 6.9367 6.9367 7.1870 7.1870 7.2719 7.2719 7.7039 7.7039 7.7459 7.7459 k = 0.0000 0.3167-0.0000 ( 19242 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4294 -19.4294 -19.4243 -19.4243 -19.2540 -19.2540 -19.2521 -19.2521 -19.2483 -19.2483 -19.2381 -19.2381 -16.4115 -16.4115 -16.3796 -16.3796 -5.5505 -5.5505 -5.4538 -5.4538 -5.0823 -5.0823 -4.8557 -4.8557 -3.8651 -3.8651 -3.7072 -3.7072 -3.6487 -3.6487 -3.5449 -3.5449 2.4529 2.4529 2.5501 2.5501 3.0447 3.0447 3.2939 3.2939 3.4315 3.4315 3.7343 3.7343 6.9320 6.9320 7.2611 7.2611 7.3403 7.3403 7.6968 7.6968 7.7045 7.7045 k = 0.0000 0.3333-0.0000 ( 19232 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4292 -19.4292 -19.4245 -19.4245 -19.2539 -19.2539 -19.2522 -19.2522 -19.2479 -19.2479 -19.2385 -19.2385 -16.4099 -16.4099 -16.3807 -16.3807 -5.5550 -5.5550 -5.4666 -5.4666 -5.0676 -5.0676 -4.8587 -4.8587 -3.8584 -3.8584 -3.6990 -3.6990 -3.6551 -3.6551 -3.5455 -3.5455 2.4331 2.4331 2.5190 2.5190 3.0517 3.0517 3.2851 3.2851 3.4233 3.4233 3.7203 3.7203 6.9249 6.9249 7.3247 7.3247 7.4128 7.4128 7.6512 7.6512 7.7061 7.7061 k = 0.0000 0.3500-0.0000 ( 19256 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4290 -19.4290 -19.4248 -19.4248 -19.2539 -19.2539 -19.2523 -19.2523 -19.2475 -19.2475 -19.2390 -19.2390 -16.4083 -16.4083 -16.3818 -16.3818 -5.5588 -5.5588 -5.4788 -5.4788 -5.0530 -5.0530 -4.8625 -4.8625 -3.8511 -3.8511 -3.6940 -3.6940 -3.6587 -3.6587 -3.5467 -3.5467 2.4135 2.4135 2.4894 2.4894 3.0611 3.0611 3.2755 3.2755 3.4188 3.4188 3.7049 3.7049 6.9191 6.9191 7.3688 7.3688 7.4837 7.4837 7.6173 7.6173 7.7133 7.7133 k = 0.0000 0.3667-0.0000 ( 19252 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4288 -19.4288 -19.4250 -19.4250 -19.2538 -19.2538 -19.2524 -19.2524 -19.2471 -19.2471 -19.2395 -19.2395 -16.4067 -16.4067 -16.3829 -16.3829 -5.5618 -5.5618 -5.4904 -5.4904 -5.0385 -5.0385 -4.8673 -4.8673 -3.8434 -3.8434 -3.6945 -3.6945 -3.6570 -3.6570 -3.5486 -3.5486 2.3949 2.3949 2.4614 2.4614 3.0722 3.0722 3.2651 3.2651 3.4182 3.4182 3.6882 3.6882 6.9162 6.9162 7.3796 7.3796 7.5487 7.5487 7.6106 7.6106 7.7250 7.7250 k = 0.0000 0.3833-0.0000 ( 19246 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4285 -19.4285 -19.4252 -19.4252 -19.2537 -19.2537 -19.2525 -19.2525 -19.2466 -19.2466 -19.2399 -19.2399 -16.4051 -16.4051 -16.3841 -16.3841 -5.5640 -5.5640 -5.5012 -5.5012 -5.0243 -5.0243 -4.8729 -4.8729 -3.8352 -3.8352 -3.7001 -3.7001 -3.6506 -3.6506 -3.5512 -3.5512 2.3779 2.3779 2.4356 2.4356 3.0844 3.0844 3.2540 3.2540 3.4214 3.4214 3.6702 3.6702 6.9172 6.9172 7.3566 7.3566 7.6041 7.6041 7.6317 7.6317 7.7410 7.7410 k = 0.0000 0.4000-0.0000 ( 19242 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4283 -19.4283 -19.4254 -19.4254 -19.2536 -19.2536 -19.2526 -19.2526 -19.2462 -19.2462 -19.2404 -19.2404 -16.4034 -16.4034 -16.3853 -16.3853 -5.5653 -5.5653 -5.5114 -5.5114 -5.0103 -5.0103 -4.8794 -4.8794 -3.8265 -3.8265 -3.7081 -3.7081 -3.6421 -3.6421 -3.5545 -3.5545 2.3629 2.3629 2.4121 2.4121 3.0971 3.0971 3.2424 3.2424 3.4282 3.4282 3.6511 3.6511 6.9226 6.9226 7.3157 7.3157 7.6484 7.6484 7.6643 7.6643 7.7614 7.7614 k = 0.0000 0.4167-0.0000 ( 19238 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4281 -19.4281 -19.4257 -19.4257 -19.2536 -19.2536 -19.2527 -19.2527 -19.2457 -19.2457 -19.2409 -19.2409 -16.4018 -16.4018 -16.3866 -16.3866 -5.5658 -5.5658 -5.5207 -5.5207 -4.9966 -4.9966 -4.8868 -4.8868 -3.8175 -3.8175 -3.7173 -3.7173 -3.6329 -3.6329 -3.5586 -3.5586 2.3504 2.3504 2.3911 2.3911 3.1099 3.1099 3.2306 3.2306 3.4382 3.4382 3.6310 3.6310 6.9327 6.9327 7.2688 7.2688 7.6823 7.6823 7.6964 7.6964 7.7861 7.7861 k = 0.0000 0.4333-0.0000 ( 19258 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4278 -19.4278 -19.4259 -19.4259 -19.2535 -19.2535 -19.2528 -19.2528 -19.2453 -19.2453 -19.2414 -19.2414 -16.4002 -16.4002 -16.3880 -16.3880 -5.5654 -5.5654 -5.5292 -5.5292 -4.9833 -4.9833 -4.8949 -4.8949 -3.8081 -3.8081 -3.7271 -3.7271 -3.6236 -3.6236 -3.5633 -3.5633 2.3405 2.3405 2.3730 2.3730 3.1227 3.1227 3.2186 3.2186 3.4512 3.4512 3.6100 3.6100 6.9474 6.9474 7.2210 7.2210 7.7081 7.7081 7.7227 7.7227 7.8149 7.8149 k = 0.0000 0.4500-0.0000 ( 19266 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4276 -19.4276 -19.4261 -19.4261 -19.2534 -19.2534 -19.2529 -19.2529 -19.2448 -19.2448 -19.2419 -19.2419 -16.3986 -16.3986 -16.3894 -16.3894 -5.5641 -5.5641 -5.5369 -5.5369 -4.9704 -4.9704 -4.9037 -4.9037 -3.7984 -3.7984 -3.7372 -3.7372 -3.6144 -3.6144 -3.5688 -3.5688 2.3335 2.3335 2.3578 2.3578 3.1352 3.1352 3.2067 3.2067 3.4666 3.4666 3.5886 3.5886 6.9669 6.9669 7.1745 7.1745 7.7278 7.7278 7.7418 7.7418 7.8478 7.8478 k = 0.0000 0.4667-0.0000 ( 19254 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4274 -19.4274 -19.4264 -19.4264 -19.2533 -19.2533 -19.2530 -19.2530 -19.2443 -19.2443 -19.2424 -19.2424 -16.3970 -16.3970 -16.3908 -16.3908 -5.5618 -5.5618 -5.5437 -5.5437 -4.9579 -4.9579 -4.9133 -4.9133 -3.7885 -3.7885 -3.7474 -3.7474 -3.6055 -3.6055 -3.5749 -3.5749 2.3296 2.3296 2.3458 2.3458 3.1474 3.1474 3.1949 3.1949 3.4842 3.4842 3.5668 3.5668 6.9911 6.9911 7.1305 7.1305 7.7424 7.7424 7.7536 7.7536 7.8847 7.8847 k = 0.0000 0.4833-0.0000 ( 19254 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4271 -19.4271 -19.4266 -19.4266 -19.2532 -19.2532 -19.2531 -19.2531 -19.2438 -19.2438 -19.2428 -19.2428 -16.3954 -16.3954 -16.3923 -16.3923 -5.5587 -5.5587 -5.5496 -5.5496 -4.9459 -4.9459 -4.9236 -4.9236 -3.7784 -3.7784 -3.7578 -3.7578 -3.5971 -3.5971 -3.5817 -3.5817 2.3288 2.3288 2.3369 2.3369 3.1594 3.1594 3.1831 3.1831 3.5034 3.5034 3.5451 3.5451 7.0197 7.0197 7.0897 7.0897 7.7526 7.7526 7.7588 7.7588 7.9255 7.9255 k = 0.0000 0.5000-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5546 -5.5546 -5.5546 -5.5546 -4.9344 -4.9344 -4.9344 -4.9344 -3.7681 -3.7681 -3.7681 -3.7681 -3.5891 -3.5891 -3.5891 -3.5891 2.3312 2.3312 2.3312 2.3312 3.1713 3.1713 3.1713 3.1713 3.5239 3.5239 3.5239 3.5239 7.0527 7.0527 7.0527 7.0527 7.7582 7.7582 7.7582 7.7582 7.9703 7.9703 k = 0.0000 0.5000-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5546 -5.5546 -5.5546 -5.5546 -4.9344 -4.9344 -4.9344 -4.9344 -3.7681 -3.7681 -3.7681 -3.7681 -3.5891 -3.5891 -3.5891 -3.5891 2.3312 2.3312 2.3312 2.3312 3.1713 3.1713 3.1713 3.1713 3.5239 3.5239 3.5239 3.5239 7.0527 7.0527 7.0527 7.0527 7.7582 7.7582 7.7582 7.7582 7.9703 7.9703 k = 0.0167 0.5000-0.0000 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5544 -5.5544 -5.5538 -5.5538 -4.9355 -4.9355 -4.9338 -4.9338 -3.7708 -3.7708 -3.7660 -3.7660 -3.5930 -3.5930 -3.5862 -3.5862 2.3297 2.3297 2.3340 2.3340 3.1650 3.1650 3.1764 3.1764 3.5117 3.5117 3.5357 3.5357 7.0483 7.0483 7.0525 7.0525 7.7495 7.7495 7.7571 7.7571 7.9790 7.9790 k = 0.0333 0.5000-0.0000 ( 19250 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2533 -19.2533 -19.2532 -19.2532 -19.2433 -19.2433 -19.2432 -19.2432 -16.3938 -16.3938 -16.3938 -16.3938 -5.5531 -5.5531 -5.5520 -5.5520 -4.9371 -4.9371 -4.9338 -4.9338 -3.7742 -3.7742 -3.7645 -3.7645 -3.5978 -3.5978 -3.5843 -3.5843 2.3293 2.3293 2.3380 2.3380 3.1581 3.1581 3.1800 3.1800 3.4997 3.4997 3.5468 3.5468 7.0395 7.0395 7.0477 7.0477 7.7344 7.7344 7.7474 7.7474 8.0078 8.0079 k = 0.0500 0.5000-0.0000 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2534 -19.2534 -19.2532 -19.2532 -19.2433 -19.2433 -19.2432 -19.2432 -16.3937 -16.3937 -16.3937 -16.3937 -5.5509 -5.5509 -5.5491 -5.5491 -4.9393 -4.9393 -4.9342 -4.9342 -3.7782 -3.7782 -3.7637 -3.7637 -3.6035 -3.6035 -3.5833 -3.5833 2.3301 2.3301 2.3432 2.3432 3.1507 3.1507 3.1818 3.1818 3.4883 3.4883 3.5568 3.5568 7.0270 7.0270 7.0389 7.0389 7.7172 7.7172 7.7330 7.7330 8.0521 8.0521 k = 0.0667 0.5000-0.0000 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2535 -19.2535 -19.2533 -19.2533 -19.2432 -19.2432 -19.2430 -19.2430 -16.3936 -16.3936 -16.3936 -16.3936 -5.5476 -5.5476 -5.5453 -5.5453 -4.9419 -4.9419 -4.9352 -4.9352 -3.7827 -3.7827 -3.7635 -3.7635 -3.6101 -3.6101 -3.5833 -3.5833 2.3317 2.3317 2.3497 2.3497 3.1434 3.1434 3.1814 3.1814 3.4777 3.4777 3.5655 3.5655 7.0117 7.0117 7.0270 7.0270 7.7001 7.7001 7.7172 7.7172 8.1078 8.1101 k = 0.0833 0.5000-0.0000 ( 19268 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2536 -19.2536 -19.2534 -19.2534 -19.2431 -19.2431 -19.2429 -19.2429 -16.3935 -16.3935 -16.3935 -16.3935 -5.5434 -5.5434 -5.5405 -5.5405 -4.9450 -4.9450 -4.9368 -4.9368 -3.7878 -3.7878 -3.7639 -3.7639 -3.6174 -3.6174 -3.5842 -3.5842 2.3343 2.3343 2.3573 2.3573 3.1364 3.1364 3.1786 3.1786 3.4684 3.4684 3.5726 3.5726 6.9946 6.9946 7.0128 7.0128 7.6838 7.6838 7.7014 7.7014 8.1712 8.1712 k = 0.1000 0.5000-0.0000 ( 19266 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2538 -19.2538 -19.2535 -19.2535 -19.2429 -19.2429 -19.2427 -19.2427 -16.3933 -16.3933 -16.3933 -16.3933 -5.5382 -5.5382 -5.5347 -5.5347 -4.9485 -4.9485 -4.9388 -4.9388 -3.7935 -3.7935 -3.7650 -3.7650 -3.6254 -3.6254 -3.5861 -3.5861 2.3375 2.3375 2.3660 2.3660 3.1300 3.1300 3.1735 3.1735 3.4605 3.4605 3.5778 3.5778 6.9768 6.9768 6.9973 6.9973 7.6684 7.6684 7.6860 7.6860 8.2384 8.2384 k = 0.1167 0.5000-0.0000 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2540 -19.2540 -19.2537 -19.2537 -19.2428 -19.2428 -19.2425 -19.2425 -16.3931 -16.3931 -16.3931 -16.3931 -5.5321 -5.5321 -5.5280 -5.5280 -4.9526 -4.9526 -4.9414 -4.9414 -3.7996 -3.7996 -3.7668 -3.7668 -3.6340 -3.6340 -3.5888 -3.5888 2.3412 2.3412 2.3755 2.3755 3.1245 3.1245 3.1662 3.1662 3.4542 3.4542 3.5812 3.5812 6.9592 6.9592 6.9815 6.9815 7.6536 7.6536 7.6711 7.6711 8.3111 8.3111 k = 0.1333 0.5000-0.0000 ( 19236 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2542 -19.2542 -19.2538 -19.2538 -19.2426 -19.2426 -19.2423 -19.2423 -16.3929 -16.3929 -16.3929 -16.3929 -5.5251 -5.5251 -5.5204 -5.5204 -4.9571 -4.9571 -4.9445 -4.9445 -3.8062 -3.8062 -3.7692 -3.7692 -3.6431 -3.6431 -3.5923 -3.5923 2.3452 2.3452 2.3858 2.3858 3.1201 3.1201 3.1569 3.1569 3.4492 3.4492 3.5826 3.5826 6.9426 6.9426 6.9661 6.9661 7.6391 7.6391 7.6564 7.6564 8.3882 8.3882 k = 0.1500 0.5000-0.0000 ( 19236 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4269 -19.4269 -19.2544 -19.2544 -19.2540 -19.2540 -19.2424 -19.2424 -19.2421 -19.2421 -16.3927 -16.3927 -16.3927 -16.3927 -5.5172 -5.5172 -5.5119 -5.5119 -4.9620 -4.9620 -4.9481 -4.9481 -3.8132 -3.8132 -3.7723 -3.7723 -3.6524 -3.6524 -3.5966 -3.5966 2.3495 2.3495 2.3966 2.3966 3.1170 3.1170 3.1461 3.1461 3.4455 3.4455 3.5820 3.5820 6.9276 6.9276 6.9518 6.9518 7.6246 7.6246 7.6417 7.6417 8.4682 8.4682 k = 0.1667 0.5000-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4270 -19.4270 -19.2546 -19.2546 -19.2542 -19.2542 -19.2422 -19.2422 -19.2420 -19.2420 -16.3925 -16.3925 -16.3925 -16.3925 -5.5085 -5.5085 -5.5026 -5.5026 -4.9674 -4.9674 -4.9523 -4.9523 -3.8206 -3.8206 -3.7762 -3.7762 -3.6619 -3.6619 -3.6016 -3.6016 2.3538 2.3538 2.4078 2.4078 3.1152 3.1152 3.1341 3.1341 3.4429 3.4429 3.5794 3.5794 6.9148 6.9148 6.9391 6.9391 7.6098 7.6098 7.6268 7.6268 8.5486 8.5487 k = 0.1833 0.5000-0.0000 ( 19240 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4270 -19.4270 -19.2548 -19.2548 -19.2544 -19.2544 -19.2420 -19.2420 -19.2417 -19.2417 -16.3922 -16.3922 -16.3922 -16.3922 -5.4990 -5.4990 -5.4925 -5.4925 -4.9732 -4.9732 -4.9569 -4.9569 -3.8282 -3.8282 -3.7808 -3.7808 -3.6714 -3.6714 -3.6072 -3.6072 2.3581 2.3581 2.4190 2.4190 3.1147 3.1147 3.1215 3.1215 3.4411 3.4411 3.5750 3.5750 6.9044 6.9044 6.9283 6.9283 7.5944 7.5944 7.6115 7.6115 8.6202 8.6211 k = 0.2000 0.5000-0.0000 ( 19242 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4270 -19.4270 -19.2550 -19.2550 -19.2546 -19.2546 -19.2418 -19.2418 -19.2415 -19.2415 -16.3920 -16.3920 -16.3919 -16.3919 -5.4888 -5.4888 -5.4817 -5.4817 -4.9793 -4.9793 -4.9621 -4.9621 -3.8361 -3.8361 -3.7863 -3.7863 -3.6806 -3.6806 -3.6132 -3.6132 2.3623 2.3623 2.4301 2.4301 3.1087 3.1087 3.1156 3.1156 3.4400 3.4400 3.5689 3.5689 6.8968 6.8968 6.9198 6.9198 7.5783 7.5783 7.5956 7.5956 8.6868 8.6869 k = 0.2167 0.5000-0.0000 ( 19254 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4271 -19.4271 -19.2552 -19.2552 -19.2549 -19.2549 -19.2416 -19.2416 -19.2413 -19.2413 -16.3917 -16.3917 -16.3917 -16.3917 -5.4780 -5.4780 -5.4703 -5.4703 -4.9859 -4.9859 -4.9677 -4.9677 -3.8442 -3.8442 -3.7927 -3.7927 -3.6893 -3.6893 -3.6198 -3.6198 2.3664 2.3664 2.4408 2.4408 3.0962 3.0962 3.1177 3.1177 3.4395 3.4395 3.5613 3.5613 6.8920 6.8920 6.9137 6.9137 7.5615 7.5615 7.5790 7.5790 8.7537 8.7537 k = 0.2333 0.5000-0.0000 ( 19238 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4271 -19.4271 -19.2554 -19.2554 -19.2551 -19.2551 -19.2413 -19.2413 -19.2411 -19.2411 -16.3914 -16.3914 -16.3914 -16.3914 -5.4666 -5.4666 -5.4583 -5.4583 -4.9927 -4.9927 -4.9738 -4.9738 -3.8525 -3.8525 -3.7999 -3.7999 -3.6974 -3.6974 -3.6266 -3.6266 2.3703 2.3703 2.4508 2.4508 3.0842 3.0842 3.1207 3.1207 3.4394 3.4394 3.5525 3.5525 6.8902 6.8902 6.9102 6.9102 7.5437 7.5437 7.5616 7.5616 8.8210 8.8210 k = 0.2500 0.5000-0.0000 ( 19236 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4271 -19.4271 -19.2556 -19.2556 -19.2553 -19.2553 -19.2411 -19.2411 -19.2409 -19.2409 -16.3911 -16.3911 -16.3911 -16.3911 -5.4546 -5.4546 -5.4458 -5.4458 -4.9999 -4.9999 -4.9804 -4.9804 -3.8607 -3.8607 -3.8081 -3.8081 -3.7048 -3.7048 -3.6338 -3.6338 2.3740 2.3740 2.4600 2.4600 3.0731 3.0731 3.1245 3.1245 3.4397 3.4397 3.5428 3.5428 6.8912 6.8912 6.9093 6.9093 7.5252 7.5252 7.5435 7.5435 8.8890 8.8890 k = 0.2667 0.5000-0.0000 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4272 -19.4272 -19.2558 -19.2558 -19.2555 -19.2555 -19.2409 -19.2409 -19.2407 -19.2407 -16.3908 -16.3908 -16.3908 -16.3908 -5.4422 -5.4422 -5.4328 -5.4328 -5.0074 -5.0074 -4.9873 -4.9873 -3.8690 -3.8690 -3.8170 -3.8170 -3.7113 -3.7113 -3.6411 -3.6411 2.3776 2.3776 2.4681 2.4681 3.0631 3.0631 3.1286 3.1286 3.4404 3.4404 3.5325 3.5325 6.8950 6.8950 6.9109 6.9109 7.5058 7.5058 7.5246 7.5246 8.9574 8.9576 k = 0.2833 0.5000-0.0000 ( 19258 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4272 -19.4272 -19.2560 -19.2560 -19.2557 -19.2557 -19.2407 -19.2407 -19.2405 -19.2405 -16.3905 -16.3905 -16.3905 -16.3905 -5.4294 -5.4294 -5.4195 -5.4195 -5.0151 -5.0151 -4.9947 -4.9947 -3.8771 -3.8771 -3.8267 -3.8267 -3.7168 -3.7168 -3.6485 -3.6485 2.3812 2.3812 2.4750 2.4750 3.0545 3.0545 3.1328 3.1328 3.4413 3.4413 3.5219 3.5219 6.9015 6.9015 6.9150 6.9150 7.4856 7.4856 7.5049 7.5049 9.0255 9.0332 k = 0.3000 0.5000-0.0000 ( 19254 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4272 -19.4272 -19.2562 -19.2562 -19.2559 -19.2559 -19.2405 -19.2405 -19.2403 -19.2403 -16.3903 -16.3903 -16.3903 -16.3903 -5.4164 -5.4164 -5.4061 -5.4061 -5.0231 -5.0231 -5.0024 -5.0024 -3.8850 -3.8850 -3.8368 -3.8368 -3.7215 -3.7215 -3.6559 -3.6559 2.3849 2.3849 2.4805 2.4805 3.0474 3.0474 3.1366 3.1366 3.4426 3.4426 3.5115 3.5115 6.9105 6.9105 6.9215 6.9215 7.4647 7.4647 7.4845 7.4845 9.0927 9.0927 k = 0.3167 0.5000-0.0000 ( 19270 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4273 -19.4273 -19.2564 -19.2564 -19.2561 -19.2561 -19.2404 -19.2404 -19.2402 -19.2402 -16.3900 -16.3900 -16.3900 -16.3900 -5.4032 -5.4032 -5.3925 -5.3925 -5.0311 -5.0311 -5.0105 -5.0105 -3.8927 -3.8927 -3.8472 -3.8472 -3.7254 -3.7254 -3.6632 -3.6632 2.3886 2.3886 2.4845 2.4845 3.0419 3.0419 3.1396 3.1396 3.4441 3.4441 3.5016 3.5016 6.9218 6.9218 6.9302 6.9302 7.4432 7.4432 7.4634 7.4634 9.1580 9.1582 k = 0.3333 0.5000-0.0000 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4273 -19.4273 -19.2565 -19.2565 -19.2562 -19.2562 -19.2402 -19.2402 -19.2400 -19.2400 -16.3897 -16.3897 -16.3897 -16.3897 -5.3900 -5.3900 -5.3790 -5.3790 -5.0392 -5.0392 -5.0188 -5.0188 -3.8999 -3.8999 -3.8578 -3.8578 -3.7285 -3.7285 -3.6704 -3.6704 2.3926 2.3926 2.4870 2.4870 3.0381 3.0381 3.1415 3.1415 3.4458 3.4458 3.4925 3.4925 6.9351 6.9351 6.9410 6.9410 7.4212 7.4212 7.4418 7.4418 9.2204 9.2205 k = 0.3500 0.5000-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4273 -19.4273 -19.2566 -19.2566 -19.2564 -19.2564 -19.2400 -19.2400 -19.2399 -19.2399 -16.3895 -16.3895 -16.3895 -16.3895 -5.3769 -5.3769 -5.3656 -5.3656 -5.0473 -5.0473 -5.0273 -5.0273 -3.9067 -3.9067 -3.8682 -3.8682 -3.7308 -3.7308 -3.6774 -3.6774 2.3968 2.3968 2.4880 2.4880 3.0360 3.0360 3.1419 3.1419 3.4478 3.4478 3.4845 3.4845 6.9503 6.9503 6.9536 6.9536 7.3988 7.3988 7.4196 7.4196 9.2791 9.2792 k = 0.3667 0.5000-0.0000 ( 19250 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2568 -19.2568 -19.2565 -19.2565 -19.2399 -19.2399 -19.2397 -19.2397 -16.3893 -16.3893 -16.3893 -16.3893 -5.3640 -5.3640 -5.3527 -5.3527 -5.0553 -5.0553 -5.0360 -5.0360 -3.9129 -3.9129 -3.8782 -3.8782 -3.7324 -3.7324 -3.6842 -3.6842 2.4013 2.4013 2.4876 2.4876 3.0356 3.0356 3.1406 3.1406 3.4498 3.4498 3.4778 3.4778 6.9669 6.9669 6.9678 6.9678 7.3763 7.3763 7.3971 7.3971 9.3332 9.3334 k = 0.3833 0.5000-0.0000 ( 19258 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2569 -19.2569 -19.2567 -19.2567 -19.2397 -19.2397 -19.2396 -19.2396 -16.3891 -16.3891 -16.3891 -16.3891 -5.3515 -5.3515 -5.3404 -5.3404 -5.0630 -5.0630 -5.0446 -5.0446 -3.9184 -3.9184 -3.8878 -3.8878 -3.7334 -3.7334 -3.6906 -3.6906 2.4061 2.4061 2.4858 2.4858 3.0369 3.0369 3.1375 3.1375 3.4518 3.4518 3.4726 3.4726 6.9833 6.9833 6.9847 6.9847 7.3538 7.3538 7.3744 7.3744 9.3818 9.3819 k = 0.4000 0.5000-0.0000 ( 19270 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2570 -19.2570 -19.2568 -19.2568 -19.2396 -19.2396 -19.2395 -19.2395 -16.3889 -16.3889 -16.3889 -16.3889 -5.3396 -5.3396 -5.3289 -5.3289 -5.0702 -5.0702 -5.0531 -5.0531 -3.9231 -3.9231 -3.8967 -3.8967 -3.7338 -3.7338 -3.6967 -3.6967 2.4114 2.4114 2.4829 2.4829 3.0397 3.0397 3.1328 3.1328 3.4539 3.4539 3.4686 3.4686 6.9998 6.9998 7.0032 7.0032 7.3317 7.3317 7.3517 7.3517 9.4245 9.4256 k = 0.4167 0.5000-0.0000 ( 19286 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2571 -19.2571 -19.2569 -19.2569 -19.2395 -19.2395 -19.2394 -19.2394 -16.3887 -16.3887 -16.3887 -16.3887 -5.3285 -5.3285 -5.3186 -5.3186 -5.0767 -5.0767 -5.0613 -5.0613 -3.9269 -3.9269 -3.9048 -3.9048 -3.7335 -3.7335 -3.7024 -3.7024 2.4170 2.4170 2.4788 2.4788 3.0439 3.0439 3.1264 3.1264 3.4557 3.4557 3.4659 3.4659 7.0169 7.0169 7.0220 7.0220 7.3103 7.3103 7.3293 7.3293 9.4610 9.4672 k = 0.4333 0.5000-0.0000 ( 19270 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2571 -19.2571 -19.2570 -19.2570 -19.2394 -19.2394 -19.2394 -19.2394 -16.3886 -16.3886 -16.3886 -16.3886 -5.3184 -5.3184 -5.3097 -5.3097 -5.0822 -5.0822 -5.0690 -5.0690 -3.9297 -3.9297 -3.9121 -3.9121 -3.7328 -3.7328 -3.7077 -3.7077 2.4229 2.4229 2.4739 2.4739 3.0495 3.0495 3.1188 3.1188 3.4574 3.4574 3.4641 3.4641 7.0340 7.0340 7.0403 7.0403 7.2903 7.2903 7.3077 7.3077 9.4910 9.4955 k = 0.4500 0.5000-0.0000 ( 19266 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2394 -19.2394 -19.2393 -19.2393 -16.3885 -16.3885 -16.3885 -16.3885 -5.3098 -5.3098 -5.3027 -5.3027 -5.0865 -5.0865 -5.0760 -5.0760 -3.9315 -3.9315 -3.9183 -3.9183 -3.7314 -3.7314 -3.7125 -3.7125 2.4292 2.4292 2.4684 2.4684 3.0563 3.0563 3.1101 3.1101 3.4588 3.4588 3.4630 3.4630 7.0504 7.0504 7.0570 7.0570 7.2726 7.2726 7.2876 7.2876 9.5145 9.5174 k = 0.4667 0.5000-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3029 -5.3029 -5.2978 -5.2978 -5.0892 -5.0892 -5.0818 -5.0818 -3.9322 -3.9322 -3.9234 -3.9234 -3.7295 -3.7295 -3.7169 -3.7169 2.4357 2.4357 2.4622 2.4622 3.0641 3.0641 3.1009 3.1009 3.4600 3.4600 3.4623 3.4623 7.0649 7.0649 7.0707 7.0707 7.2587 7.2587 7.2701 7.2701 9.5315 9.5330 k = 0.4833 0.5000-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2980 -5.2980 -5.2953 -5.2953 -5.0901 -5.0901 -5.0863 -5.0863 -3.9318 -3.9318 -3.9274 -3.9274 -3.7271 -3.7271 -3.7208 -3.7208 2.4424 2.4424 2.4558 2.4558 3.0727 3.0727 3.0914 3.0914 3.4608 3.4608 3.4619 3.4619 7.0759 7.0759 7.0794 7.0794 7.2505 7.2505 7.2568 7.2568 9.5414 9.5422 k = 0.5000 0.5000-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2954 -5.2954 -5.2954 -5.2954 -5.0891 -5.0891 -5.0891 -5.0891 -3.9302 -3.9302 -3.9302 -3.9302 -3.7242 -3.7242 -3.7242 -3.7242 2.4491 2.4491 2.4491 2.4491 3.0819 3.0819 3.0819 3.0819 3.4614 3.4614 3.4614 3.4614 7.0812 7.0812 7.0812 7.0812 7.2497 7.2497 7.2497 7.2497 9.5451 9.5451 k = 0.5000 0.5000-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2954 -5.2954 -5.2954 -5.2954 -5.0891 -5.0891 -5.0891 -5.0891 -3.9302 -3.9302 -3.9302 -3.9302 -3.7242 -3.7242 -3.7242 -3.7242 2.4491 2.4491 2.4491 2.4491 3.0819 3.0819 3.0819 3.0819 3.4614 3.4614 3.4614 3.4614 7.0812 7.0812 7.0812 7.0812 7.2497 7.2497 7.2497 7.2497 9.5451 9.5451 k = 0.4884 0.4884-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2979 -5.2979 -5.2953 -5.2953 -5.0901 -5.0901 -5.0863 -5.0863 -3.9318 -3.9318 -3.9274 -3.9274 -3.7271 -3.7271 -3.7209 -3.7209 2.4424 2.4424 2.4557 2.4557 3.0728 3.0728 3.0913 3.0913 3.4606 3.4606 3.4621 3.4621 7.0739 7.0739 7.0816 7.0816 7.2504 7.2504 7.2566 7.2566 9.5417 9.5420 k = 0.4767 0.4767-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2394 -19.2394 -19.2393 -19.2393 -16.3886 -16.3886 -16.3883 -16.3883 -5.3027 -5.3027 -5.2976 -5.2976 -5.0896 -5.0896 -5.0817 -5.0817 -3.9326 -3.9326 -3.9232 -3.9232 -3.7295 -3.7295 -3.7170 -3.7170 2.4356 2.4356 2.4624 2.4624 3.0642 3.0642 3.1007 3.1007 3.4588 3.4588 3.4635 3.4635 7.0554 7.0554 7.0816 7.0816 7.2582 7.2582 7.2692 7.2692 9.5321 9.5334 k = 0.4651 0.4651-0.0000 ( 19254 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4275 -19.4275 -19.2572 -19.2572 -19.2570 -19.2570 -19.2394 -19.2394 -19.2393 -19.2393 -16.3889 -16.3889 -16.3882 -16.3882 -5.3096 -5.3096 -5.3021 -5.3021 -5.0878 -5.0878 -5.0753 -5.0753 -3.9327 -3.9327 -3.9174 -3.9174 -3.7313 -3.7313 -3.7128 -3.7128 2.4287 2.4287 2.4692 2.4692 3.0561 3.0561 3.1101 3.1101 3.4561 3.4561 3.4658 3.4658 7.0294 7.0294 7.0815 7.0815 7.2713 7.2713 7.2855 7.2855 9.5170 9.5172 k = 0.4535 0.4535-0.0000 ( 19266 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4274 -19.4274 -19.2571 -19.2571 -19.2570 -19.2570 -19.2396 -19.2396 -19.2392 -19.2392 -16.3892 -16.3892 -16.3880 -16.3880 -5.3181 -5.3181 -5.3085 -5.3085 -5.0851 -5.0851 -5.0674 -5.0674 -3.9323 -3.9323 -3.9100 -3.9100 -3.7326 -3.7326 -3.7081 -3.7081 2.4217 2.4217 2.4762 2.4762 3.0485 3.0485 3.1191 3.1191 3.4526 3.4526 3.4690 3.4690 6.9994 6.9994 7.0814 7.0814 7.2856 7.2856 7.3062 7.3062 9.4973 9.4974 k = 0.4419 0.4419-0.0000 ( 19270 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4277 -19.4277 -19.4274 -19.4274 -19.2571 -19.2571 -19.2569 -19.2569 -19.2397 -19.2397 -19.2392 -19.2392 -16.3897 -16.3897 -16.3878 -16.3878 -5.3279 -5.3279 -5.3162 -5.3162 -5.0820 -5.0820 -5.0583 -5.0583 -3.9316 -3.9316 -3.9010 -3.9010 -3.7333 -3.7333 -3.7032 -3.7032 2.4147 2.4147 2.4835 2.4835 3.0414 3.0414 3.1275 3.1275 3.4486 3.4486 3.4732 3.4732 6.9679 6.9679 7.0814 7.0814 7.2975 7.2975 7.3326 7.3326 9.4725 9.4794 k = 0.4302 0.4302-0.0000 ( 19262 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4277 -19.4277 -19.4273 -19.4273 -19.2571 -19.2571 -19.2567 -19.2567 -19.2399 -19.2399 -19.2392 -19.2392 -16.3903 -16.3903 -16.3875 -16.3875 -5.3388 -5.3388 -5.3250 -5.3250 -5.0788 -5.0788 -5.0483 -5.0483 -3.9308 -3.9308 -3.8903 -3.8903 -3.7334 -3.7334 -3.6979 -3.6979 2.4079 2.4079 2.4912 2.4912 3.0347 3.0347 3.1353 3.1353 3.4444 3.4444 3.4783 3.4783 6.9367 6.9367 7.0814 7.0814 7.3059 7.3059 7.3641 7.3641 9.4430 9.4486 k = 0.4186 0.4186-0.0000 ( 19262 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4278 -19.4278 -19.4272 -19.4272 -19.2570 -19.2570 -19.2566 -19.2566 -19.2402 -19.2402 -19.2392 -19.2392 -16.3910 -16.3910 -16.3872 -16.3872 -5.3503 -5.3503 -5.3343 -5.3343 -5.0757 -5.0757 -5.0377 -5.0377 -3.9299 -3.9299 -3.8782 -3.8782 -3.7330 -3.7330 -3.6925 -3.6925 2.4014 2.4014 2.4994 2.4994 3.0281 3.0281 3.1423 3.1423 3.4401 3.4401 3.4844 3.4844 6.9075 6.9075 7.0816 7.0816 7.3109 7.3109 7.3993 7.3993 9.4096 9.4096 k = 0.4070 0.4070-0.0000 ( 19278 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4278 -19.4278 -19.4271 -19.4271 -19.2569 -19.2569 -19.2564 -19.2564 -19.2405 -19.2405 -19.2391 -19.2391 -16.3917 -16.3917 -16.3869 -16.3869 -5.3624 -5.3624 -5.3439 -5.3439 -5.0730 -5.0730 -5.0266 -5.0266 -3.9289 -3.9289 -3.8646 -3.8646 -3.7320 -3.7320 -3.6869 -3.6869 2.3954 2.3954 2.5080 2.5080 3.0216 3.0216 3.1488 3.1488 3.4359 3.4359 3.4913 3.4913 6.8813 6.8813 7.0819 7.0819 7.3129 7.3129 7.4367 7.4367 9.3727 9.3727 k = 0.3953 0.3953-0.0000 ( 19260 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4279 -19.4279 -19.4269 -19.4269 -19.2569 -19.2569 -19.2562 -19.2562 -19.2408 -19.2408 -19.2391 -19.2391 -16.3926 -16.3926 -16.3865 -16.3865 -5.3748 -5.3748 -5.3534 -5.3534 -5.0708 -5.0708 -5.0153 -5.0153 -3.9281 -3.9281 -3.8499 -3.8499 -3.7304 -3.7304 -3.6813 -3.6813 2.3902 2.3902 2.5170 2.5170 3.0151 3.0151 3.1550 3.1550 3.4315 3.4315 3.4992 3.4992 6.8594 6.8594 7.0824 7.0824 7.3120 7.3120 7.4749 7.4749 9.3323 9.3323 k = 0.3837 0.3837-0.0000 ( 19264 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4280 -19.4280 -19.4268 -19.4268 -19.2568 -19.2568 -19.2560 -19.2560 -19.2411 -19.2411 -19.2390 -19.2390 -16.3935 -16.3935 -16.3860 -16.3860 -5.3872 -5.3872 -5.3626 -5.3626 -5.0693 -5.0693 -5.0039 -5.0039 -3.9273 -3.9273 -3.8341 -3.8341 -3.7282 -3.7282 -3.6758 -3.6758 2.3860 2.3860 2.5264 2.5264 3.0085 3.0085 3.1611 3.1611 3.4269 3.4269 3.5080 3.5080 6.8427 6.8427 7.0832 7.0832 7.3087 7.3087 7.5126 7.5126 9.2861 9.2861 k = 0.3721 0.3721-0.0000 ( 19272 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4281 -19.4281 -19.4266 -19.4266 -19.2567 -19.2567 -19.2558 -19.2558 -19.2414 -19.2414 -19.2390 -19.2390 -16.3945 -16.3945 -16.3856 -16.3856 -5.3996 -5.3996 -5.3713 -5.3713 -5.0684 -5.0684 -4.9926 -4.9926 -3.9267 -3.9267 -3.8176 -3.8176 -3.7256 -3.7256 -3.6704 -3.6704 2.3830 2.3830 2.5360 2.5360 3.0021 3.0021 3.1676 3.1676 3.4217 3.4217 3.5177 3.5177 6.8319 6.8319 7.0843 7.0843 7.3033 7.3033 7.5485 7.5485 9.2177 9.2177 k = 0.3605 0.3605-0.0000 ( 19284 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4282 -19.4282 -19.4265 -19.4265 -19.2566 -19.2566 -19.2556 -19.2556 -19.2418 -19.2418 -19.2389 -19.2389 -16.3956 -16.3956 -16.3851 -16.3851 -5.4118 -5.4118 -5.3794 -5.3794 -5.0684 -5.0684 -4.9814 -4.9814 -3.9263 -3.9263 -3.8004 -3.8004 -3.7225 -3.7225 -3.6653 -3.6653 2.3814 2.3814 2.5459 2.5459 2.9960 2.9960 3.1745 3.1745 3.4158 3.4158 3.5283 3.5283 6.8277 6.8277 7.0856 7.0856 7.2963 7.2963 7.5812 7.5812 9.1071 9.1071 k = 0.3488 0.3488-0.0000 ( 19278 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4283 -19.4283 -19.4263 -19.4263 -19.2566 -19.2566 -19.2553 -19.2553 -19.2422 -19.2422 -19.2388 -19.2388 -16.3968 -16.3968 -16.3845 -16.3845 -5.4236 -5.4236 -5.3866 -5.3866 -5.0692 -5.0692 -4.9704 -4.9704 -3.9259 -3.9259 -3.7830 -3.7830 -3.7190 -3.7190 -3.6605 -3.6605 2.3813 2.3813 2.5559 2.5559 2.9907 2.9907 3.1821 3.1821 3.4089 3.4089 3.5398 3.5398 6.8306 6.8306 7.0871 7.0871 7.2879 7.2879 7.6100 7.6100 8.9832 8.9832 k = 0.3372 0.3372-0.0000 ( 19274 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4284 -19.4284 -19.4262 -19.4262 -19.2565 -19.2565 -19.2551 -19.2551 -19.2426 -19.2426 -19.2387 -19.2387 -16.3980 -16.3980 -16.3840 -16.3840 -5.4349 -5.4349 -5.3930 -5.3930 -5.0708 -5.0708 -4.9597 -4.9597 -3.9257 -3.9257 -3.7654 -3.7654 -3.7152 -3.7152 -3.6560 -3.6560 2.3831 2.3831 2.5660 2.5660 2.9864 2.9864 3.1903 3.1903 3.4011 3.4011 3.5521 3.5521 6.8405 6.8405 7.0888 7.0888 7.2788 7.2788 7.6342 7.6342 8.8585 8.8585 k = 0.3256 0.3256-0.0000 ( 19262 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4285 -19.4285 -19.4260 -19.4260 -19.2564 -19.2564 -19.2548 -19.2548 -19.2431 -19.2431 -19.2386 -19.2386 -16.3993 -16.3993 -16.3834 -16.3834 -5.4456 -5.4456 -5.3984 -5.3984 -5.0732 -5.0732 -4.9494 -4.9494 -3.9256 -3.9256 -3.7482 -3.7482 -3.7111 -3.7111 -3.6519 -3.6519 2.3866 2.3866 2.5760 2.5760 2.9837 2.9837 3.1989 3.1989 3.3924 3.3924 3.5652 3.5652 6.8575 6.8575 7.0906 7.0906 7.2694 7.2694 7.6536 7.6536 8.7356 8.7356 k = 0.3140 0.3140-0.0000 ( 19256 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4286 -19.4286 -19.4258 -19.4258 -19.2562 -19.2562 -19.2546 -19.2546 -19.2435 -19.2435 -19.2385 -19.2385 -16.4007 -16.4007 -16.3828 -16.3828 -5.4556 -5.4556 -5.4027 -5.4027 -5.0764 -5.0764 -4.9395 -4.9395 -3.9255 -3.9255 -3.7315 -3.7315 -3.7069 -3.7069 -3.6481 -3.6481 2.3922 2.3922 2.5859 2.5859 2.9830 2.9830 3.2076 3.2076 3.3832 3.3832 3.5790 3.5790 6.8809 6.8809 7.0921 7.0921 7.2606 7.2606 7.6683 7.6683 8.6157 8.6157 k = 0.3023 0.3023-0.0000 ( 19242 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4287 -19.4287 -19.4256 -19.4256 -19.2561 -19.2561 -19.2543 -19.2543 -19.2440 -19.2440 -19.2383 -19.2383 -16.4021 -16.4021 -16.3822 -16.3822 -5.4648 -5.4648 -5.4060 -5.4060 -5.0804 -5.0804 -4.9301 -4.9301 -3.9255 -3.9255 -3.7162 -3.7162 -3.7023 -3.7023 -3.6443 -3.6443 2.3996 2.3996 2.5958 2.5958 2.9845 2.9845 3.2158 3.2158 3.3744 3.3744 3.5935 3.5935 6.9093 6.9093 7.0932 7.0932 7.2536 7.2536 7.6787 7.6787 8.4996 8.4996 k = 0.2907 0.2907-0.0000 ( 19236 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4289 -19.4289 -19.4254 -19.4254 -19.2560 -19.2560 -19.2541 -19.2541 -19.2445 -19.2445 -19.2382 -19.2382 -16.4035 -16.4035 -16.3816 -16.3816 -5.4731 -5.4731 -5.4081 -5.4081 -5.0852 -5.0852 -4.9211 -4.9211 -3.9254 -3.9254 -3.7047 -3.7047 -3.6955 -3.6955 -3.6402 -3.6402 2.4090 2.4090 2.6056 2.6056 2.9884 2.9884 3.2223 3.2223 3.3672 3.3672 3.6087 3.6087 6.9402 6.9402 7.0934 7.0934 7.2508 7.2508 7.6853 7.6853 8.3878 8.3878 k = 0.2791 0.2791-0.0000 ( 19236 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4290 -19.4290 -19.4252 -19.4252 -19.2559 -19.2559 -19.2538 -19.2538 -19.2450 -19.2450 -19.2380 -19.2380 -16.4049 -16.4049 -16.3809 -16.3809 -5.4804 -5.4804 -5.4091 -5.4091 -5.0906 -5.0906 -4.9127 -4.9127 -3.9253 -3.9253 -3.6997 -3.6997 -3.6846 -3.6846 -3.6353 -3.6353 2.4201 2.4201 2.6155 2.6155 2.9949 2.9949 3.2262 3.2262 3.3630 3.3630 3.6243 3.6243 6.9691 6.9691 7.0921 7.0921 7.2562 7.2562 7.6889 7.6889 8.2809 8.2809 k = 0.2674 0.2674-0.0000 ( 19236 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4292 -19.4292 -19.4250 -19.4250 -19.2558 -19.2558 -19.2536 -19.2536 -19.2454 -19.2454 -19.2378 -19.2378 -16.4064 -16.4064 -16.3803 -16.3803 -5.4868 -5.4868 -5.4089 -5.4089 -5.0968 -5.0968 -4.9049 -4.9049 -3.9250 -3.9250 -3.6978 -3.6978 -3.6737 -3.6737 -3.6293 -3.6293 2.4328 2.4328 2.6258 2.6258 3.0039 3.0039 3.2262 3.2262 3.3634 3.3634 3.6402 3.6402 6.9900 6.9900 7.0885 7.0885 7.2752 7.2752 7.6903 7.6903 8.1795 8.1795 k = 0.2558 0.2558-0.0000 ( 19222 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4293 -19.4293 -19.4248 -19.4248 -19.2557 -19.2557 -19.2533 -19.2533 -19.2459 -19.2459 -19.2376 -19.2376 -16.4079 -16.4079 -16.3796 -16.3796 -5.4921 -5.4921 -5.4076 -5.4076 -5.1037 -5.1037 -4.8978 -4.8978 -3.9247 -3.9247 -3.6978 -3.6978 -3.6643 -3.6643 -3.6219 -3.6219 2.4467 2.4467 2.6368 2.6368 3.0152 3.0152 3.2222 3.2222 3.3690 3.3690 3.6565 3.6565 6.9978 6.9978 7.0815 7.0815 7.3123 7.3123 7.6902 7.6902 8.0840 8.0840 k = 0.2442 0.2442-0.0000 ( 19204 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4294 -19.4294 -19.4246 -19.4246 -19.2556 -19.2556 -19.2531 -19.2531 -19.2464 -19.2464 -19.2374 -19.2374 -16.4093 -16.4093 -16.3790 -16.3790 -5.4964 -5.4964 -5.4051 -5.4051 -5.1112 -5.1112 -4.8913 -4.8913 -3.9242 -3.9242 -3.6995 -3.6995 -3.6562 -3.6562 -3.6136 -3.6136 2.4613 2.4613 2.6488 2.6488 3.0285 3.0285 3.2154 3.2154 3.3795 3.3795 3.6728 3.6728 6.9915 6.9915 7.0699 7.0699 7.3676 7.3676 7.6893 7.6893 7.9952 7.9952 k = 0.2326 0.2326-0.0000 ( 19212 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4296 -19.4296 -19.4244 -19.4244 -19.2555 -19.2555 -19.2529 -19.2529 -19.2469 -19.2469 -19.2372 -19.2372 -16.4108 -16.4108 -16.3783 -16.3783 -5.4995 -5.4995 -5.4015 -5.4015 -5.1192 -5.1192 -4.8855 -4.8855 -3.9236 -3.9236 -3.7029 -3.7029 -3.6490 -3.6490 -3.6049 -3.6049 2.4761 2.4761 2.6622 2.6622 3.0433 3.0433 3.2076 3.2076 3.3939 3.3939 3.6890 3.6890 6.9734 6.9734 7.0523 7.0523 7.4377 7.4377 7.6882 7.6882 7.9136 7.9136 k = 0.2209 0.2209-0.0000 ( 19214 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4297 -19.4297 -19.4242 -19.4242 -19.2554 -19.2554 -19.2527 -19.2527 -19.2473 -19.2473 -19.2370 -19.2370 -16.4123 -16.4123 -16.3777 -16.3777 -5.5016 -5.5016 -5.3968 -5.3968 -5.1278 -5.1278 -4.8805 -4.8805 -3.9228 -3.9228 -3.7079 -3.7079 -3.6422 -3.6422 -3.5966 -3.5966 2.4903 2.4903 2.6776 2.6776 3.0587 3.0587 3.2008 3.2008 3.4111 3.4111 3.7049 3.7049 6.9461 6.9461 7.0271 7.0271 7.5184 7.5184 7.6875 7.6875 7.8400 7.8400 k = 0.2093 0.2093-0.0000 ( 19224 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4299 -19.4299 -19.4240 -19.4240 -19.2553 -19.2553 -19.2525 -19.2525 -19.2478 -19.2478 -19.2367 -19.2367 -16.4137 -16.4137 -16.3770 -16.3770 -5.5025 -5.5025 -5.3910 -5.3910 -5.1369 -5.1369 -4.8763 -4.8763 -3.9218 -3.9218 -3.7142 -3.7142 -3.6356 -3.6356 -3.5890 -3.5890 2.5033 2.5033 2.6952 2.6952 3.0736 3.0736 3.1973 3.1973 3.4306 3.4306 3.7203 3.7203 6.9115 6.9115 6.9934 6.9934 7.6045 7.6045 7.6870 7.6870 7.7770 7.7770 k = 0.1977 0.1977-0.0000 ( 19230 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4300 -19.4300 -19.4238 -19.4238 -19.2552 -19.2552 -19.2523 -19.2523 -19.2483 -19.2483 -19.2365 -19.2365 -16.4151 -16.4151 -16.3764 -16.3764 -5.5023 -5.5023 -5.3843 -5.3843 -5.1465 -5.1465 -4.8730 -4.8730 -3.9207 -3.9207 -3.7216 -3.7216 -3.6292 -3.6292 -3.5824 -3.5824 2.5144 2.5144 2.7153 2.7153 3.0865 3.0865 3.1993 3.1993 3.4519 3.4519 3.7351 3.7351 6.8705 6.8705 6.9509 6.9509 7.6733 7.6733 7.6792 7.6792 7.7507 7.7507 k = 0.1860 0.1860-0.0000 ( 19228 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4302 -19.4302 -19.4237 -19.4237 -19.2551 -19.2551 -19.2522 -19.2522 -19.2487 -19.2487 -19.2363 -19.2363 -16.4165 -16.4165 -16.3758 -16.3758 -5.5010 -5.5010 -5.3767 -5.3767 -5.1565 -5.1565 -4.8704 -4.8704 -3.9194 -3.9194 -3.7299 -3.7299 -3.6229 -3.6229 -3.5768 -3.5768 2.5232 2.5232 2.7377 2.7377 3.0963 3.0963 3.2083 3.2083 3.4746 3.4746 3.7489 3.7489 6.8237 6.8237 6.9005 6.9005 7.6403 7.6403 7.6901 7.6901 7.7943 7.7943 k = 0.1744 0.1744-0.0000 ( 19230 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4303 -19.4303 -19.4235 -19.4235 -19.2550 -19.2550 -19.2520 -19.2520 -19.2491 -19.2491 -19.2360 -19.2360 -16.4179 -16.4179 -16.3752 -16.3752 -5.4987 -5.4987 -5.3683 -5.3683 -5.1668 -5.1668 -4.8688 -4.8688 -3.9179 -3.9179 -3.7388 -3.7388 -3.6169 -3.6169 -3.5723 -3.5723 2.5294 2.5294 2.7622 2.7622 3.1032 3.1032 3.2244 3.2244 3.4986 3.4986 3.7617 3.7617 6.7717 6.7717 6.8434 6.8434 7.5961 7.5961 7.6970 7.6970 7.8011 7.8011 k = 0.1628 0.1628-0.0000 ( 19244 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4304 -19.4304 -19.4234 -19.4234 -19.2549 -19.2549 -19.2519 -19.2519 -19.2496 -19.2496 -19.2358 -19.2358 -16.4192 -16.4192 -16.3747 -16.3747 -5.4953 -5.4953 -5.3593 -5.3593 -5.1774 -5.1774 -4.8680 -4.8680 -3.9163 -3.9163 -3.7481 -3.7481 -3.6110 -3.6110 -3.5690 -3.5690 2.5331 2.5331 2.7884 2.7884 3.1087 3.1087 3.2461 3.2461 3.5237 3.5237 3.7732 3.7732 6.7149 6.7149 6.7818 6.7818 7.5566 7.5566 7.7055 7.7055 7.8034 7.8034 k = 0.1512 0.1512-0.0000 ( 19242 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4306 -19.4306 -19.4232 -19.4232 -19.2548 -19.2548 -19.2518 -19.2518 -19.2499 -19.2499 -19.2355 -19.2355 -16.4204 -16.4204 -16.3741 -16.3741 -5.4909 -5.4909 -5.3497 -5.3497 -5.1882 -5.1882 -4.8681 -4.8681 -3.9147 -3.9147 -3.7576 -3.7576 -3.6055 -3.6055 -3.5666 -3.5666 2.5345 2.5345 2.8155 2.8155 3.1143 3.1143 3.2718 3.2718 3.5499 3.5499 3.7834 3.7834 6.6539 6.6539 6.7175 6.7175 7.5234 7.5234 7.7168 7.7168 7.8123 7.8123 k = 0.1395 0.1395-0.0000 ( 19220 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4307 -19.4307 -19.4231 -19.4231 -19.2548 -19.2548 -19.2517 -19.2517 -19.2503 -19.2503 -19.2352 -19.2352 -16.4216 -16.4216 -16.3736 -16.3736 -5.4855 -5.4855 -5.3398 -5.3398 -5.1992 -5.1992 -4.8691 -4.8691 -3.9130 -3.9130 -3.7671 -3.7671 -3.6004 -3.6004 -3.5651 -3.5651 2.5337 2.5337 2.8432 2.8432 3.1207 3.1207 3.2999 3.2999 3.5771 3.5771 3.7922 3.7922 6.5894 6.5894 6.6524 6.6524 7.4964 7.4964 7.7314 7.7314 7.8275 7.8275 k = 0.1279 0.1279-0.0000 ( 19232 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4308 -19.4308 -19.4229 -19.4229 -19.2547 -19.2547 -19.2516 -19.2516 -19.2506 -19.2506 -19.2350 -19.2350 -16.4227 -16.4227 -16.3731 -16.3731 -5.4792 -5.4792 -5.3298 -5.3298 -5.2100 -5.2100 -4.8709 -4.8709 -3.9113 -3.9113 -3.7764 -3.7764 -3.5957 -3.5957 -3.5643 -3.5643 2.5312 2.5312 2.8710 2.8710 3.1281 3.1281 3.3295 3.3295 3.6053 3.6053 3.7997 3.7997 6.5223 6.5223 6.5879 6.5879 7.4755 7.4755 7.7495 7.7495 7.8456 7.8456 k = 0.1163 0.1163-0.0000 ( 19222 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4309 -19.4309 -19.4228 -19.4228 -19.2547 -19.2547 -19.2515 -19.2515 -19.2509 -19.2509 -19.2348 -19.2348 -16.4237 -16.4237 -16.3727 -16.3727 -5.4720 -5.4720 -5.3202 -5.3202 -5.2206 -5.2206 -4.8734 -4.8734 -3.9096 -3.9096 -3.7854 -3.7854 -3.5918 -3.5918 -3.5640 -3.5640 2.5273 2.5273 2.8984 2.8984 3.1362 3.1362 3.3596 3.3596 3.6343 3.6343 3.8060 3.8060 6.4535 6.4535 6.5255 6.5255 7.4600 7.4600 7.7711 7.7711 7.8060 7.8060 k = 0.1047 0.1047-0.0000 ( 19228 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4310 -19.4310 -19.4227 -19.4227 -19.2546 -19.2546 -19.2515 -19.2515 -19.2511 -19.2511 -19.2346 -19.2346 -16.4247 -16.4247 -16.3723 -16.3723 -5.4640 -5.4640 -5.3115 -5.3115 -5.2303 -5.2303 -4.8766 -4.8766 -3.9080 -3.9080 -3.7938 -3.7938 -3.5886 -3.5886 -3.5638 -3.5638 2.5225 2.5225 2.9253 2.9253 3.1445 3.1445 3.3893 3.3893 3.6637 3.6637 3.8115 3.8115 6.3842 6.3842 6.4662 6.4662 7.4492 7.4492 7.7446 7.7446 7.7985 7.7985 k = 0.0930 0.0930-0.0000 ( 19214 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4311 -19.4311 -19.4226 -19.4226 -19.2546 -19.2546 -19.2515 -19.2515 -19.2513 -19.2513 -19.2343 -19.2343 -16.4255 -16.4255 -16.3719 -16.3719 -5.4552 -5.4552 -5.3049 -5.3049 -5.2383 -5.2383 -4.8803 -4.8803 -3.9066 -3.9066 -3.8015 -3.8015 -3.5865 -3.5865 -3.5634 -3.5634 2.5170 2.5170 2.9514 2.9514 3.1524 3.1524 3.4178 3.4178 3.6927 3.6927 3.8168 3.8168 6.3156 6.3156 6.4109 6.4109 7.4424 7.4424 7.6895 7.6895 7.8285 7.8285 k = 0.0814 0.0814-0.0000 ( 19220 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4312 -19.4312 -19.4225 -19.4225 -19.2546 -19.2546 -19.2517 -19.2517 -19.2513 -19.2513 -19.2342 -19.2342 -16.4263 -16.4263 -16.3716 -16.3716 -5.4458 -5.4458 -5.3019 -5.3019 -5.2432 -5.2432 -4.8844 -4.8844 -3.9054 -3.9054 -3.8084 -3.8084 -3.5856 -3.5856 -3.5627 -3.5627 2.5114 2.5114 2.9764 2.9764 3.1593 3.1593 3.4445 3.4445 3.7200 3.7200 3.8232 3.8232 6.2493 6.2493 6.3603 6.3603 7.4386 7.4386 7.6400 7.6400 7.8624 7.8624 k = 0.0698 0.0698-0.0000 ( 19222 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4224 -19.4224 -19.2546 -19.2546 -19.2518 -19.2518 -19.2512 -19.2512 -19.2340 -19.2340 -16.4270 -16.4270 -16.3713 -16.3713 -5.4357 -5.4357 -5.3037 -5.3037 -5.2438 -5.2438 -4.8886 -4.8886 -3.9044 -3.9044 -3.8143 -3.8143 -3.5856 -3.5856 -3.5615 -3.5615 2.5059 2.5059 3.0002 3.0002 3.1646 3.1646 3.4687 3.4687 3.7431 3.7431 3.8322 3.8322 6.1868 6.1868 6.3152 6.3152 7.4371 7.4371 7.5965 7.5965 7.8993 7.8993 k = 0.0581 0.0581-0.0000 ( 19220 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4223 -19.4223 -19.2546 -19.2546 -19.2519 -19.2519 -19.2512 -19.2512 -19.2339 -19.2339 -16.4276 -16.4276 -16.3710 -16.3710 -5.4251 -5.4251 -5.3101 -5.3101 -5.2410 -5.2410 -4.8929 -4.8929 -3.9036 -3.9036 -3.8193 -3.8193 -3.5864 -3.5864 -3.5601 -3.5601 2.5008 2.5008 3.0225 3.0225 3.1680 3.1680 3.4899 3.4899 3.7599 3.7599 3.8455 3.8455 6.1297 6.1297 6.2761 6.2761 7.4371 7.4371 7.5592 7.5592 7.9374 7.9374 k = 0.0465 0.0465-0.0000 ( 19222 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2546 -19.2546 -19.2521 -19.2521 -19.2512 -19.2512 -19.2337 -19.2337 -16.4281 -16.4281 -16.3708 -16.3708 -5.4141 -5.4141 -5.3193 -5.3193 -5.2364 -5.2364 -4.8968 -4.8968 -3.9031 -3.9031 -3.8233 -3.8233 -3.5875 -3.5875 -3.5587 -3.5587 2.4963 2.4963 3.0429 3.0429 3.1694 3.1694 3.5078 3.5078 3.7698 3.7698 3.8624 3.8624 6.0799 6.0799 6.2434 6.2434 7.4379 7.4379 7.5284 7.5284 7.9745 7.9745 k = 0.0349 0.0349-0.0000 ( 19233 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4284 -16.4284 -16.3707 -16.3707 -5.4027 -5.4027 -5.3300 -5.3300 -5.2318 -5.2318 -4.9003 -4.9003 -3.9028 -3.9028 -3.8263 -3.8263 -3.5886 -3.5886 -3.5575 -3.5575 2.4927 2.4927 3.0608 3.0608 3.1688 3.1688 3.5219 3.5219 3.7748 3.7748 3.8799 3.8799 6.0390 6.0390 6.2176 6.2176 7.4391 7.4391 7.5042 7.5042 8.0073 8.0073 k = 0.0233 0.0233-0.0000 ( 19247 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2511 -19.2511 -19.2336 -19.2336 -16.4287 -16.4287 -16.3706 -16.3706 -5.3911 -5.3911 -5.3413 -5.3413 -5.2279 -5.2279 -4.9029 -4.9029 -3.9026 -3.9026 -3.8284 -3.8284 -3.5896 -3.5896 -3.5565 -3.5565 2.4900 2.4900 3.0754 3.0754 3.1669 3.1669 3.5323 3.5323 3.7771 3.7771 3.8946 3.8946 6.0084 6.0084 6.1989 6.1989 7.4402 7.4402 7.4869 7.4869 8.0327 8.0327 k = 0.0116 0.0116-0.0000 ( 19259 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3798 -5.3798 -5.3527 -5.3527 -5.2254 -5.2254 -4.9046 -4.9046 -3.9026 -3.9026 -3.8297 -3.8297 -3.5902 -3.5902 -3.5559 -3.5559 2.4883 2.4883 3.0852 3.0852 3.1647 3.1647 3.5385 3.5385 3.7780 3.7780 3.9043 3.9043 5.9896 5.9896 6.1876 6.1876 7.4409 7.4409 7.4765 7.4765 8.0485 8.0485 k = 0.0000 0.0000 0.0000 ( 19253 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3722 -5.3722 -5.3603 -5.3603 -5.2245 -5.2245 -4.9052 -4.9052 -3.9025 -3.9025 -3.8301 -3.8301 -3.5905 -3.5905 -3.5557 -3.5557 2.4877 2.4877 3.0888 3.0888 3.1637 3.1637 3.5406 3.5406 3.7783 3.7783 3.9077 3.9077 5.9832 5.9832 6.1839 6.1839 7.4412 7.4412 7.4730 7.4730 8.0538 8.0538 k = 0.0000 0.0000 0.0000 ( 19253 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3722 -5.3722 -5.3603 -5.3603 -5.2245 -5.2245 -4.9052 -4.9052 -3.9025 -3.9025 -3.8301 -3.8301 -3.5905 -3.5905 -3.5557 -3.5557 2.4877 2.4877 3.0888 3.0888 3.1637 3.1637 3.5406 3.5406 3.7783 3.7783 3.9077 3.9077 5.9832 5.9832 6.1839 6.1839 7.4412 7.4412 7.4730 7.4730 8.0538 8.0538 k = 0.0000 0.0000 0.0164 ( 19245 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2547 -19.2547 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.3845 -5.3845 -5.3483 -5.3483 -5.2242 -5.2242 -4.9052 -4.9052 -3.9025 -3.9025 -3.8300 -3.8300 -3.5905 -3.5905 -3.5553 -3.5553 2.4855 2.4855 3.0883 3.0883 3.1632 3.1632 3.5397 3.5397 3.7767 3.7767 3.9087 3.9087 5.9894 5.9894 6.1849 6.1849 7.4460 7.4460 7.4695 7.4695 8.0555 8.0555 k = 0.0000 0.0000 0.0328 ( 19229 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.4013 -5.4013 -5.3324 -5.3324 -5.2234 -5.2234 -4.9053 -4.9053 -3.9022 -3.9022 -3.8300 -3.8300 -3.5906 -3.5906 -3.5539 -3.5539 2.4790 2.4790 3.0868 3.0868 3.1616 3.1616 3.5369 3.5369 3.7720 3.7720 3.9117 3.9117 6.0078 6.0078 6.1879 6.1879 7.4591 7.4591 7.4602 7.4602 8.0605 8.0605 k = 0.0000 0.0000 0.0491 ( 19217 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4289 -16.4289 -16.3705 -16.3705 -5.4183 -5.4183 -5.3172 -5.3172 -5.2217 -5.2217 -4.9055 -4.9055 -3.9019 -3.9019 -3.8298 -3.8298 -3.5907 -3.5907 -3.5517 -3.5517 2.4684 2.4684 3.0843 3.0843 3.1590 3.1590 3.5326 3.5326 3.7645 3.7645 3.9165 3.9165 6.0378 6.0378 6.1930 6.1930 7.4423 7.4423 7.4835 7.4835 8.0688 8.0688 k = 0.0000 0.0000 0.0655 ( 19201 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2523 -19.2523 -19.2511 -19.2511 -19.2335 -19.2335 -16.4288 -16.4288 -16.3706 -16.3706 -5.4351 -5.4351 -5.3035 -5.3035 -5.2189 -5.2189 -4.9057 -4.9057 -3.9014 -3.9014 -3.8297 -3.8297 -3.5908 -3.5908 -3.5488 -3.5488 2.4541 2.4541 3.0807 3.0807 3.1554 3.1554 3.5267 3.5267 3.7548 3.7548 3.9230 3.9230 6.0789 6.0789 6.2000 6.2000 7.4197 7.4197 7.5154 7.5154 8.0803 8.0803 k = 0.0000 0.0000 0.0819 ( 19197 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4288 -16.4288 -16.3706 -16.3706 -5.4515 -5.4515 -5.2917 -5.2917 -5.2146 -5.2146 -4.9060 -4.9060 -3.9007 -3.9007 -3.8295 -3.8295 -3.5910 -3.5910 -3.5451 -3.5451 2.4366 2.4366 3.0761 3.0761 3.1508 3.1508 3.5198 3.5198 3.7436 3.7436 3.9307 3.9307 6.1299 6.1299 6.2089 6.2089 7.3920 7.3920 7.5549 7.5549 8.0950 8.0950 k = 0.0000 0.0000 0.0983 ( 19193 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4287 -16.4287 -16.3707 -16.3707 -5.4672 -5.4672 -5.2826 -5.2826 -5.2082 -5.2082 -4.9064 -4.9064 -3.8999 -3.8999 -3.8293 -3.8293 -3.5913 -3.5913 -3.5408 -3.5408 2.4165 2.4165 3.0705 3.0705 3.1453 3.1453 3.5120 3.5120 3.7316 3.7316 3.9393 3.9393 6.1898 6.1898 6.2196 6.2196 7.3601 7.3601 7.6009 7.6009 8.1126 8.1126 k = 0.0000 0.0000 0.1146 ( 19193 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4287 -16.4287 -16.3707 -16.3707 -5.4823 -5.4823 -5.2761 -5.2761 -5.2000 -5.2000 -4.9069 -4.9069 -3.8990 -3.8990 -3.8290 -3.8290 -3.5915 -3.5915 -3.5361 -3.5361 2.3945 2.3945 3.0639 3.0639 3.1389 3.1389 3.5038 3.5038 3.7193 3.7193 3.9486 3.9486 6.2321 6.2321 6.2574 6.2574 7.3249 7.3249 7.6513 7.6513 8.1329 8.1329 k = 0.0000 0.0000 0.1310 ( 19202 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4286 -16.4286 -16.3708 -16.3708 -5.4966 -5.4966 -5.2719 -5.2719 -5.1901 -5.1901 -4.9074 -4.9074 -3.8979 -3.8979 -3.8288 -3.8288 -3.5918 -3.5918 -3.5311 -3.5311 2.3712 2.3712 3.0566 3.0566 3.1316 3.1316 3.4952 3.4952 3.7075 3.7075 3.9582 3.9582 6.2461 6.2461 6.3315 6.3315 7.2874 7.2874 7.7033 7.7033 8.1556 8.1556 k = 0.0000 0.0000 0.1474 ( 19238 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4285 -16.4285 -16.3708 -16.3708 -5.5099 -5.5099 -5.2696 -5.2696 -5.1794 -5.1794 -4.9080 -4.9080 -3.8968 -3.8968 -3.8285 -3.8285 -3.5921 -3.5921 -3.5259 -3.5259 2.3473 2.3473 3.0488 3.0488 3.1237 3.1237 3.4867 3.4867 3.6966 3.6966 3.9678 3.9678 6.2615 6.2615 6.4109 6.4109 7.2484 7.2484 7.7521 7.7521 8.1801 8.1801 k = 0.0000 0.0000 0.1638 ( 19246 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4285 -16.4285 -16.3709 -16.3709 -5.5223 -5.5223 -5.2685 -5.2685 -5.1685 -5.1685 -4.9087 -4.9087 -3.8955 -3.8955 -3.8282 -3.8282 -3.5924 -3.5924 -3.5207 -3.5207 2.3236 2.3236 3.0406 3.0406 3.1153 3.1153 3.4784 3.4784 3.6867 3.6867 3.9772 3.9772 6.2781 6.2781 6.4946 6.4946 7.2088 7.2088 7.7899 7.7899 8.2050 8.2050 k = 0.0000 0.0000 0.1801 ( 19234 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4284 -16.4284 -16.3710 -16.3710 -5.5335 -5.5335 -5.2681 -5.2681 -5.1578 -5.1578 -4.9094 -4.9094 -3.8943 -3.8943 -3.8279 -3.8279 -3.5927 -3.5927 -3.5155 -3.5155 2.3005 2.3005 3.0323 3.0323 3.1068 3.1068 3.4705 3.4705 3.6782 3.6782 3.9862 3.9862 6.2956 6.2956 6.5815 6.5815 7.1694 7.1694 7.8060 7.8060 8.2285 8.2285 k = 0.0000 0.0000 0.1965 ( 19250 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4283 -16.4283 -16.3710 -16.3710 -5.5436 -5.5436 -5.2683 -5.2683 -5.1477 -5.1477 -4.9101 -4.9101 -3.8930 -3.8930 -3.8276 -3.8276 -3.5930 -3.5930 -3.5106 -3.5106 2.2787 2.2787 3.0240 3.0240 3.0984 3.0984 3.4632 3.4632 3.6711 3.6711 3.9946 3.9946 6.3136 6.3136 6.6707 6.6707 7.1311 7.1311 7.7932 7.7932 8.2539 8.2539 k = 0.0000 0.0000 0.2129 ( 19238 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4283 -16.4283 -16.3711 -16.3711 -5.5525 -5.5525 -5.2687 -5.2687 -5.1385 -5.1385 -4.9108 -4.9108 -3.8918 -3.8918 -3.8274 -3.8274 -3.5933 -3.5933 -3.5061 -3.5061 2.2587 2.2587 3.0161 3.0161 3.0905 3.0905 3.4566 3.4566 3.6653 3.6653 4.0021 4.0021 6.3316 6.3316 6.7613 6.7613 7.0948 7.0948 7.7539 7.7539 8.2864 8.2864 k = 0.0000 0.0000 0.2293 ( 19230 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4282 -16.4282 -16.3712 -16.3712 -5.5601 -5.5601 -5.2692 -5.2692 -5.1305 -5.1305 -4.9115 -4.9115 -3.8906 -3.8906 -3.8271 -3.8271 -3.5935 -3.5935 -3.5021 -3.5021 2.2409 2.2409 3.0088 3.0088 3.0834 3.0834 3.4508 3.4508 3.6607 3.6607 4.0088 4.0088 6.3491 6.3491 6.8528 6.8528 7.0613 7.0613 7.6965 7.6965 8.3193 8.3193 k = 0.0000 0.0000 0.2457 ( 19222 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2335 -19.2335 -16.4281 -16.4281 -16.3712 -16.3712 -5.5664 -5.5664 -5.2697 -5.2697 -5.1237 -5.1237 -4.9121 -4.9121 -3.8896 -3.8896 -3.8269 -3.8269 -3.5937 -3.5937 -3.4986 -3.4986 2.2259 2.2259 3.0023 3.0023 3.0772 3.0772 3.4459 3.4459 3.6572 3.6572 4.0143 4.0143 6.3652 6.3652 6.9444 6.9444 7.0317 7.0317 7.6280 7.6280 8.3477 8.3477 k = 0.0000 0.0000 0.2620 ( 19226 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4222 -19.4222 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3712 -16.3712 -5.5713 -5.5713 -5.2702 -5.2702 -5.1182 -5.1182 -4.9126 -4.9126 -3.8888 -3.8888 -3.8268 -3.8268 -3.5939 -3.5939 -3.4959 -3.4959 2.2138 2.2138 2.9970 2.9970 3.0723 3.0723 3.4421 3.4421 3.6547 3.6547 4.0188 4.0188 6.3792 6.3792 7.0071 7.0071 7.0356 7.0356 7.5526 7.5526 8.3712 8.3712 k = 0.0000 0.0000 0.2784 ( 19246 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3713 -16.3713 -5.5748 -5.5748 -5.2706 -5.2706 -5.1143 -5.1143 -4.9130 -4.9130 -3.8882 -3.8882 -3.8267 -3.8267 -3.5940 -3.5940 -3.4938 -3.4938 2.2050 2.2050 2.9930 2.9930 3.0688 3.0688 3.4393 3.4393 3.6530 3.6530 4.0220 4.0220 6.3901 6.3901 6.9884 6.9884 7.1260 7.1260 7.4726 7.4726 8.3890 8.3890 k = 0.0000 0.0000 0.2948 ( 19238 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3713 -16.3713 -5.5770 -5.5770 -5.2709 -5.2709 -5.1119 -5.1119 -4.9133 -4.9133 -3.8878 -3.8878 -3.8266 -3.8266 -3.5941 -3.5941 -3.4926 -3.4926 2.1997 2.1997 2.9905 2.9905 3.0666 3.0666 3.4376 3.4376 3.6520 3.6520 4.0239 4.0239 6.3971 6.3971 6.9768 6.9768 7.2152 7.2152 7.3894 7.3894 8.4002 8.4002 k = 0.0000 0.0000 0.3112 ( 19262 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2546 -19.2546 -19.2523 -19.2523 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3713 -16.3713 -5.5777 -5.5777 -5.2710 -5.2710 -5.1111 -5.1111 -4.9133 -4.9133 -3.8877 -3.8877 -3.8266 -3.8266 -3.5941 -3.5941 -3.4922 -3.4922 2.1979 2.1979 2.9896 2.9896 3.0658 3.0658 3.4371 3.4371 3.6517 3.6517 4.0246 4.0246 6.3995 6.3995 6.9728 6.9728 7.2961 7.2961 7.3105 7.3105 8.4040 8.4040 k = 0.0000 0.0000 0.3112 ( 19262 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2546 -19.2546 -19.2523 -19.2523 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3713 -16.3713 -5.5777 -5.5777 -5.2710 -5.2710 -5.1111 -5.1111 -4.9133 -4.9133 -3.8877 -3.8877 -3.8266 -3.8266 -3.5941 -3.5941 -3.4922 -3.4922 2.1979 2.1979 2.9896 2.9896 3.0658 3.0658 3.4371 3.4371 3.6517 3.6517 4.0246 4.0246 6.3995 6.3995 6.9728 6.9728 7.2961 7.2961 7.3105 7.3105 8.4040 8.4040 k = 0.0000 0.0167 0.3112 ( 19258 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4280 -16.4280 -16.3713 -16.3713 -5.5781 -5.5781 -5.2708 -5.2708 -5.1123 -5.1123 -4.9122 -4.9122 -3.8875 -3.8875 -3.8262 -3.8262 -3.5939 -3.5939 -3.4924 -3.4924 2.1984 2.1984 2.9796 2.9796 3.0729 3.0729 3.4356 3.4356 3.6519 3.6519 4.0219 4.0219 6.4029 6.4029 6.9771 6.9771 7.2964 7.2964 7.3144 7.3144 8.4013 8.4013 k = 0.0000 0.0333 0.3112 ( 19252 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4278 -16.4278 -16.3714 -16.3714 -5.5792 -5.5792 -5.2703 -5.2703 -5.1157 -5.1157 -4.9091 -4.9091 -3.8872 -3.8872 -3.8253 -3.8253 -3.5933 -3.5933 -3.4930 -3.4930 2.1998 2.1998 2.9560 2.9560 3.0878 3.0878 3.4313 3.4313 3.6526 3.6526 4.0141 4.0141 6.4130 6.4130 6.9899 6.9899 7.2980 7.2980 7.3256 7.3256 8.3931 8.3931 k = 0.0000 0.0500 0.3112 ( 19250 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2545 -19.2545 -19.2521 -19.2521 -19.2512 -19.2512 -19.2337 -19.2337 -16.4276 -16.4276 -16.3715 -16.3715 -5.5812 -5.5812 -5.2698 -5.2698 -5.1208 -5.1208 -4.9042 -4.9042 -3.8865 -3.8865 -3.8236 -3.8236 -3.5924 -3.5924 -3.4941 -3.4941 2.2022 2.2022 2.9257 2.9257 3.1037 3.1037 3.4240 3.4240 3.6538 3.6538 4.0014 4.0014 6.4296 6.4296 7.0108 7.0108 7.3010 7.3010 7.3434 7.3434 8.3791 8.3791 k = 0.0000 0.0667 0.3112 ( 19246 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4224 -19.4224 -19.2545 -19.2545 -19.2520 -19.2520 -19.2513 -19.2513 -19.2338 -19.2338 -16.4272 -16.4272 -16.3717 -16.3717 -5.5837 -5.5837 -5.2696 -5.2696 -5.1269 -5.1269 -4.8979 -4.8979 -3.8856 -3.8856 -3.8213 -3.8213 -3.5912 -3.5912 -3.4956 -3.4956 2.2054 2.2054 2.8914 2.8914 3.1184 3.1184 3.4137 3.4137 3.6552 3.6552 3.9845 3.9845 6.4525 6.4525 7.0392 7.0392 7.3057 7.3057 7.3669 7.3669 8.3597 8.3597 k = 0.0000 0.0833 0.3112 ( 19246 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4224 -19.4224 -19.2545 -19.2545 -19.2519 -19.2519 -19.2513 -19.2513 -19.2339 -19.2339 -16.4267 -16.4267 -16.3719 -16.3719 -5.5869 -5.5869 -5.2702 -5.2702 -5.1330 -5.1330 -4.8909 -4.8909 -3.8843 -3.8843 -3.8184 -3.8184 -3.5897 -3.5897 -3.4975 -3.4975 2.2094 2.2094 2.8544 2.8544 3.1312 3.1312 3.4004 3.4004 3.6567 3.6567 3.9641 3.9641 6.4812 6.4812 7.0740 7.0740 7.3122 7.3122 7.3953 7.3953 8.3362 8.3362 k = 0.0000 0.1000 0.3112 ( 19238 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4312 -19.4312 -19.4225 -19.4225 -19.2545 -19.2545 -19.2518 -19.2518 -19.2513 -19.2513 -19.2341 -19.2341 -16.4261 -16.4261 -16.3721 -16.3721 -5.5905 -5.5905 -5.2723 -5.2723 -5.1381 -5.1381 -4.8833 -4.8833 -3.8827 -3.8827 -3.8148 -3.8148 -3.5880 -3.5880 -3.4998 -3.4998 2.2139 2.2139 2.8154 2.8154 3.1420 3.1420 3.3841 3.3841 3.6579 3.6579 3.9412 3.9412 6.5154 6.5154 7.1138 7.1138 7.3210 7.3210 7.4271 7.4271 8.3108 8.3108 k = 0.0000 0.1167 0.3112 ( 19242 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4312 -19.4312 -19.4226 -19.4226 -19.2545 -19.2545 -19.2517 -19.2517 -19.2513 -19.2513 -19.2342 -19.2342 -16.4254 -16.4254 -16.3724 -16.3724 -5.5945 -5.5945 -5.2765 -5.2765 -5.1414 -5.1414 -4.8756 -4.8756 -3.8807 -3.8807 -3.8106 -3.8106 -3.5863 -3.5863 -3.5025 -3.5025 2.2188 2.2188 2.7750 2.7750 3.1509 3.1509 3.3649 3.3649 3.6585 3.6585 3.9166 3.9166 6.5546 6.5546 7.1558 7.1558 7.3337 7.3337 7.4609 7.4609 8.2851 8.2851 k = 0.0000 0.1333 0.3112 ( 19248 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4311 -19.4311 -19.4226 -19.4226 -19.2545 -19.2545 -19.2516 -19.2516 -19.2513 -19.2513 -19.2344 -19.2344 -16.4246 -16.4246 -16.3728 -16.3728 -5.5988 -5.5988 -5.2833 -5.2833 -5.1422 -5.1422 -4.8681 -4.8681 -3.8783 -3.8783 -3.8058 -3.8058 -3.5845 -3.5845 -3.5055 -3.5055 2.2240 2.2240 2.7336 2.7336 3.1580 3.1580 3.3432 3.3432 3.6580 3.6580 3.8914 3.8914 6.5983 6.5983 7.1960 7.1960 7.3531 7.3531 7.4950 7.4950 8.2605 8.2605 k = 0.0000 0.1500 0.3112 ( 19252 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4310 -19.4310 -19.4228 -19.4228 -19.2544 -19.2544 -19.2515 -19.2515 -19.2512 -19.2512 -19.2347 -19.2347 -16.4238 -16.4238 -16.3732 -16.3732 -5.6032 -5.6032 -5.2928 -5.2928 -5.1404 -5.1404 -4.8610 -4.8610 -3.8754 -3.8754 -3.8004 -3.8004 -3.5829 -3.5829 -3.5088 -3.5088 2.2290 2.2290 2.6918 2.6918 3.1636 3.1636 3.3194 3.3194 3.6559 3.6559 3.8666 3.8666 6.6460 6.6460 7.2289 7.2289 7.3832 7.3832 7.5274 7.5274 8.2381 8.2381 k = 0.0000 0.1667 0.3112 ( 19250 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4309 -19.4309 -19.4229 -19.4229 -19.2544 -19.2544 -19.2516 -19.2516 -19.2510 -19.2510 -19.2349 -19.2349 -16.4228 -16.4228 -16.3736 -16.3736 -5.6076 -5.6076 -5.3046 -5.3046 -5.1361 -5.1361 -4.8544 -4.8544 -3.8721 -3.8721 -3.7945 -3.7945 -3.5816 -3.5816 -3.5123 -3.5123 2.2336 2.2336 2.6502 2.6502 3.1677 3.1677 3.2941 3.2941 3.6515 3.6515 3.8431 3.8431 6.6973 6.6973 7.2512 7.2512 7.4256 7.4256 7.5566 7.5566 8.2185 8.2185 k = 0.0000 0.1833 0.3112 ( 19252 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4307 -19.4307 -19.4230 -19.4230 -19.2543 -19.2543 -19.2516 -19.2516 -19.2508 -19.2508 -19.2352 -19.2352 -16.4218 -16.4218 -16.3741 -16.3741 -5.6120 -5.6120 -5.3182 -5.3182 -5.1296 -5.1296 -4.8484 -4.8484 -3.8682 -3.8682 -3.7879 -3.7879 -3.5807 -3.5807 -3.5160 -3.5160 2.2374 2.2374 2.6091 2.6091 3.1703 3.1703 3.2680 3.2680 3.6442 3.6442 3.8217 3.8217 6.7515 6.7515 7.2641 7.2641 7.4772 7.4772 7.5815 7.5815 8.2021 8.2021 k = 0.0000 0.2000 0.3112 ( 19238 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4306 -19.4306 -19.4231 -19.4231 -19.2543 -19.2543 -19.2517 -19.2517 -19.2506 -19.2506 -19.2355 -19.2355 -16.4206 -16.4206 -16.3747 -16.3747 -5.6162 -5.6162 -5.3333 -5.3333 -5.1214 -5.1214 -4.8432 -4.8432 -3.8637 -3.8637 -3.7809 -3.7809 -3.5803 -3.5803 -3.5198 -3.5198 2.2401 2.2401 2.5691 2.5691 3.1711 3.1711 3.2427 3.2427 3.6336 3.6336 3.8029 3.8029 6.8079 6.8079 7.2709 7.2709 7.5328 7.5328 7.6016 7.6016 8.1895 8.1895 k = 0.0000 0.2167 0.3112 ( 19228 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4304 -19.4304 -19.4233 -19.4233 -19.2543 -19.2543 -19.2517 -19.2517 -19.2503 -19.2503 -19.2358 -19.2358 -16.4194 -16.4194 -16.3753 -16.3753 -5.6202 -5.6202 -5.3493 -5.3493 -5.1119 -5.1119 -4.8389 -4.8389 -3.8587 -3.8587 -3.7733 -3.7733 -3.5807 -3.5807 -3.5235 -3.5235 2.2412 2.2412 2.5306 2.5306 3.1686 3.1686 3.2204 3.2204 3.6198 3.6198 3.7868 3.7868 6.8659 6.8659 7.2738 7.2738 7.5866 7.5866 7.6188 7.6188 8.1806 8.1806 k = 0.0000 0.2333 0.3112 ( 19240 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4303 -19.4303 -19.4234 -19.4234 -19.2542 -19.2542 -19.2518 -19.2518 -19.2500 -19.2500 -19.2362 -19.2362 -16.4182 -16.4182 -16.3759 -16.3759 -5.6239 -5.6239 -5.3660 -5.3660 -5.1013 -5.1013 -4.8354 -4.8354 -3.8532 -3.8532 -3.7652 -3.7652 -3.5819 -3.5819 -3.5272 -3.5272 2.2402 2.2402 2.4940 2.4940 3.1596 3.1596 3.2054 3.2054 3.6032 3.6032 3.7730 3.7730 6.9246 6.9246 7.2742 7.2742 7.6194 7.6194 7.6500 7.6500 8.1758 8.1758 k = 0.0000 0.2500 0.3112 ( 19224 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4301 -19.4301 -19.4236 -19.4236 -19.2542 -19.2542 -19.2518 -19.2518 -19.2497 -19.2497 -19.2365 -19.2365 -16.4168 -16.4168 -16.3766 -16.3766 -5.6271 -5.6271 -5.3831 -5.3831 -5.0899 -5.0899 -4.8329 -4.8329 -3.8470 -3.8470 -3.7567 -3.7567 -3.5841 -3.5841 -3.5307 -3.5307 2.2369 2.2369 2.4596 2.4596 3.1436 3.1436 3.1990 3.1990 3.5846 3.5846 3.7607 3.7607 6.9828 6.9828 7.2728 7.2728 7.6295 7.6295 7.6957 7.6957 8.1751 8.1751 k = 0.0000 0.2667 0.3112 ( 19248 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4300 -19.4300 -19.4238 -19.4238 -19.2542 -19.2542 -19.2519 -19.2519 -19.2494 -19.2494 -19.2369 -19.2369 -16.4155 -16.4155 -16.3774 -16.3774 -5.6299 -5.6299 -5.4003 -5.4003 -5.0780 -5.0780 -4.8314 -4.8314 -3.8403 -3.8403 -3.7478 -3.7478 -3.5875 -3.5875 -3.5340 -3.5340 2.2310 2.2310 2.4276 2.4276 3.1253 3.1253 3.1975 3.1975 3.5647 3.5647 3.7491 3.7491 7.0394 7.0394 7.2704 7.2704 7.6356 7.6356 7.7370 7.7370 8.1786 8.1786 k = 0.0000 0.2833 0.3112 ( 19244 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4298 -19.4298 -19.4239 -19.4239 -19.2541 -19.2541 -19.2520 -19.2520 -19.2490 -19.2490 -19.2373 -19.2373 -16.4140 -16.4140 -16.3782 -16.3782 -5.6322 -5.6322 -5.4175 -5.4175 -5.0655 -5.0655 -4.8308 -4.8308 -3.8331 -3.8331 -3.7385 -3.7385 -3.5919 -3.5919 -3.5372 -3.5372 2.2226 2.2226 2.3980 2.3980 3.1081 3.1081 3.1980 3.1980 3.5445 3.5445 3.7375 3.7375 7.0928 7.0928 7.2674 7.2674 7.6413 7.6413 7.7713 7.7713 8.1862 8.1862 k = 0.0000 0.3000 0.3112 ( 19240 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4296 -19.4296 -19.4241 -19.4241 -19.2540 -19.2540 -19.2521 -19.2521 -19.2487 -19.2487 -19.2377 -19.2377 -16.4126 -16.4126 -16.3791 -16.3791 -5.6339 -5.6339 -5.4345 -5.4345 -5.0528 -5.0528 -4.8312 -4.8312 -3.8254 -3.8254 -3.7289 -3.7289 -3.5973 -3.5973 -3.5403 -3.5403 2.2119 2.2119 2.3707 2.3707 3.0937 3.0937 3.1992 3.1992 3.5246 3.5246 3.7255 3.7255 7.1415 7.1415 7.2644 7.2644 7.6484 7.6484 7.7982 7.7982 8.1979 8.1979 k = 0.0000 0.3167 0.3112 ( 19246 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4294 -19.4294 -19.4243 -19.4243 -19.2540 -19.2540 -19.2522 -19.2522 -19.2483 -19.2483 -19.2381 -19.2381 -16.4110 -16.4110 -16.3801 -16.3801 -5.6350 -5.6350 -5.4512 -5.4512 -5.0398 -5.0398 -4.8326 -4.8326 -3.8171 -3.8171 -3.7190 -3.7190 -3.6036 -3.6036 -3.5435 -3.5435 2.1997 2.1997 2.3452 2.3452 3.0826 3.0826 3.2007 3.2007 3.5057 3.5057 3.7125 3.7125 7.1841 7.1841 7.2617 7.2617 7.6580 7.6580 7.8182 7.8182 8.2138 8.2138 k = 0.0000 0.3333 0.3112 ( 19240 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4292 -19.4292 -19.4245 -19.4245 -19.2539 -19.2539 -19.2522 -19.2522 -19.2479 -19.2479 -19.2385 -19.2385 -16.4095 -16.4095 -16.3811 -16.3811 -5.6353 -5.6353 -5.4675 -5.4675 -5.0267 -5.0267 -4.8349 -4.8349 -3.8085 -3.8085 -3.7089 -3.7089 -3.6107 -3.6107 -3.5470 -3.5470 2.1867 2.1867 2.3211 2.3211 3.0750 3.0750 3.2021 3.2021 3.4886 3.4886 3.6985 3.6985 7.2192 7.2192 7.2597 7.2597 7.6709 7.6709 7.8320 7.8320 8.2338 8.2338 k = 0.0000 0.3500 0.3112 ( 19260 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4290 -19.4290 -19.4248 -19.4248 -19.2539 -19.2539 -19.2523 -19.2523 -19.2475 -19.2475 -19.2390 -19.2390 -16.4079 -16.4079 -16.3821 -16.3821 -5.6350 -5.6350 -5.4833 -5.4833 -5.0136 -5.0136 -4.8382 -4.8382 -3.7994 -3.7994 -3.6986 -3.6986 -3.6185 -3.6185 -3.5508 -3.5508 2.1737 2.1737 2.2980 2.2980 3.0710 3.0710 3.2029 3.2029 3.4738 3.4738 3.6832 3.6832 7.2459 7.2459 7.2590 7.2590 7.6872 7.6872 7.8407 7.8407 8.2577 8.2577 k = 0.0000 0.3667 0.3112 ( 19250 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4288 -19.4288 -19.4250 -19.4250 -19.2538 -19.2538 -19.2524 -19.2524 -19.2471 -19.2471 -19.2395 -19.2395 -16.4064 -16.4064 -16.3832 -16.3832 -5.6338 -5.6338 -5.4986 -5.4986 -5.0005 -5.0005 -4.8423 -4.8423 -3.7899 -3.7899 -3.6882 -3.6882 -3.6268 -3.6268 -3.5550 -3.5550 2.1616 2.1616 2.2758 2.2758 3.0703 3.0703 3.2027 3.2027 3.4622 3.4622 3.6667 3.6667 7.2564 7.2564 7.2679 7.2679 7.7059 7.7059 7.8454 7.8454 8.2855 8.2855 k = 0.0000 0.3833 0.3112 ( 19270 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4285 -19.4285 -19.4252 -19.4252 -19.2537 -19.2537 -19.2525 -19.2525 -19.2466 -19.2466 -19.2399 -19.2399 -16.4048 -16.4048 -16.3844 -16.3844 -5.6319 -5.6319 -5.5132 -5.5132 -4.9875 -4.9875 -4.8474 -4.8474 -3.7801 -3.7801 -3.6778 -3.6778 -3.6357 -3.6357 -3.5598 -3.5598 2.1510 2.1510 2.2544 2.2544 3.0726 3.0726 3.2009 3.2009 3.4543 3.4543 3.6490 3.6490 7.2575 7.2575 7.2805 7.2805 7.7258 7.7258 7.8470 7.8470 8.3172 8.3172 k = 0.0000 0.4000 0.3112 ( 19276 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4283 -19.4283 -19.4254 -19.4254 -19.2537 -19.2537 -19.2526 -19.2526 -19.2462 -19.2462 -19.2404 -19.2404 -16.4032 -16.4032 -16.3856 -16.3856 -5.6291 -5.6291 -5.5272 -5.5272 -4.9746 -4.9746 -4.8533 -4.8533 -3.7700 -3.7700 -3.6674 -3.6674 -3.6450 -3.6450 -3.5650 -3.5650 2.1423 2.1423 2.2340 2.2340 3.0774 3.0774 3.1972 3.1972 3.4506 3.4506 3.6303 3.6303 7.2592 7.2592 7.2882 7.2882 7.7454 7.7454 7.8463 7.8463 8.3525 8.3525 k = 0.0000 0.4167 0.3112 ( 19286 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4281 -19.4281 -19.4257 -19.4257 -19.2536 -19.2536 -19.2527 -19.2527 -19.2458 -19.2458 -19.2409 -19.2409 -16.4016 -16.4016 -16.3868 -16.3868 -5.6255 -5.6255 -5.5404 -5.5404 -4.9620 -4.9620 -4.8600 -4.8600 -3.7597 -3.7597 -3.6572 -3.6572 -3.6544 -3.6544 -3.5709 -3.5709 2.1360 2.1360 2.2146 2.2146 3.0844 3.0844 3.1913 3.1913 3.4514 3.4514 3.6107 3.6107 7.2616 7.2616 7.2921 7.2921 7.7635 7.7635 7.8440 7.8440 8.3915 8.3915 k = 0.0000 0.4333 0.3112 ( 19270 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4278 -19.4278 -19.4259 -19.4259 -19.2535 -19.2535 -19.2528 -19.2528 -19.2453 -19.2453 -19.2414 -19.2414 -16.4000 -16.4000 -16.3881 -16.3881 -5.6210 -5.6210 -5.5528 -5.5528 -4.9497 -4.9497 -4.8675 -4.8675 -3.7493 -3.7493 -3.6647 -3.6647 -3.6467 -3.6467 -3.5773 -3.5773 2.1322 2.1322 2.1967 2.1967 3.0931 3.0931 3.1833 3.1833 3.4566 3.4566 3.5905 3.5905 7.2648 7.2648 7.2929 7.2929 7.7794 7.7794 7.8407 7.8407 8.4339 8.4339 k = 0.0000 0.4500 0.3112 ( 19268 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4276 -19.4276 -19.4261 -19.4261 -19.2534 -19.2534 -19.2529 -19.2529 -19.2448 -19.2448 -19.2419 -19.2419 -16.3984 -16.3984 -16.3895 -16.3895 -5.6156 -5.6156 -5.5644 -5.5644 -4.9377 -4.9377 -4.8757 -4.8757 -3.7387 -3.7387 -3.6749 -3.6749 -3.6367 -3.6367 -3.5843 -3.5843 2.1311 2.1311 2.1804 2.1804 3.1032 3.1032 3.1736 3.1736 3.4657 3.4657 3.5701 3.5701 7.2685 7.2685 7.2918 7.2918 7.7928 7.7928 7.8366 7.8366 8.4796 8.4796 k = 0.0000 0.4667 0.3112 ( 19264 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4274 -19.4274 -19.4264 -19.4264 -19.2533 -19.2533 -19.2530 -19.2530 -19.2443 -19.2443 -19.2424 -19.2424 -16.3969 -16.3969 -16.3909 -16.3909 -5.6094 -5.6094 -5.5752 -5.5752 -4.9261 -4.9261 -4.8846 -4.8846 -3.7280 -3.7280 -3.6853 -3.6853 -3.6270 -3.6270 -3.5919 -3.5919 2.1328 2.1328 2.1661 2.1661 3.1143 3.1143 3.1626 3.1626 3.4783 3.4783 3.5497 3.5497 7.2727 7.2727 7.2891 7.2891 7.8039 7.8039 7.8320 7.8320 8.5285 8.5285 k = 0.0000 0.4833 0.3112 ( 19268 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4271 -19.4271 -19.4266 -19.4266 -19.2532 -19.2532 -19.2531 -19.2531 -19.2438 -19.2438 -19.2429 -19.2429 -16.3953 -16.3953 -16.3923 -16.3923 -5.6022 -5.6022 -5.5851 -5.5851 -4.9149 -4.9149 -4.8941 -4.8941 -3.7172 -3.7172 -3.6958 -3.6958 -3.6176 -3.6176 -3.6000 -3.6000 2.1372 2.1372 2.1540 2.1540 3.1262 3.1262 3.1507 3.1507 3.4935 3.4935 3.5298 3.5298 7.2771 7.2771 7.2856 7.2856 7.8129 7.8129 7.8266 7.8266 8.5804 8.5804 k = 0.0000 0.5000 0.3112 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5941 -5.5941 -5.5941 -5.5941 -4.9042 -4.9042 -4.9042 -4.9042 -3.7065 -3.7065 -3.7065 -3.7065 -3.6086 -3.6086 -3.6086 -3.6086 2.1443 2.1443 2.1443 2.1443 3.1384 3.1384 3.1384 3.1384 3.5109 3.5109 3.5109 3.5109 7.2815 7.2815 7.2815 7.2815 7.8204 7.8204 7.8204 7.8204 8.6351 8.6351 k = 0.0000 0.5000 0.3112 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5941 -5.5941 -5.5941 -5.5941 -4.9042 -4.9042 -4.9042 -4.9042 -3.7065 -3.7065 -3.7065 -3.7065 -3.6086 -3.6086 -3.6086 -3.6086 2.1443 2.1443 2.1443 2.1443 3.1384 3.1384 3.1384 3.1384 3.5109 3.5109 3.5109 3.5109 7.2815 7.2815 7.2815 7.2815 7.8204 7.8204 7.8204 7.8204 8.6351 8.6351 k = 0.0167 0.5000 0.3112 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5938 -5.5938 -5.5933 -5.5933 -4.9055 -4.9055 -4.9035 -4.9035 -3.7078 -3.7078 -3.7062 -3.7062 -3.6106 -3.6106 -3.6070 -3.6070 2.1400 2.1400 2.1495 2.1495 3.1313 3.1313 3.1453 3.1453 3.5091 3.5091 3.5119 3.5119 7.2805 7.2805 7.2828 7.2828 7.8187 7.8187 7.8221 7.8221 8.6375 8.6377 k = 0.0333 0.5000 0.3112 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2533 -19.2533 -19.2532 -19.2532 -19.2433 -19.2433 -19.2432 -19.2432 -16.3938 -16.3938 -16.3938 -16.3938 -5.5926 -5.5926 -5.5915 -5.5915 -4.9073 -4.9073 -4.9034 -4.9034 -3.7100 -3.7100 -3.7070 -3.7070 -3.6132 -3.6132 -3.6060 -3.6060 2.1365 2.1365 2.1556 2.1556 3.1238 3.1238 3.1520 3.1520 3.5067 3.5067 3.5119 3.5119 7.2798 7.2798 7.2843 7.2843 7.8173 7.8173 7.8241 7.8241 8.6451 8.6452 k = 0.0500 0.5000 0.3112 ( 19272 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2534 -19.2534 -19.2532 -19.2532 -19.2433 -19.2433 -19.2432 -19.2432 -16.3937 -16.3937 -16.3937 -16.3937 -5.5903 -5.5903 -5.5887 -5.5887 -4.9097 -4.9097 -4.9039 -4.9039 -3.7131 -3.7131 -3.7088 -3.7088 -3.6162 -3.6162 -3.6057 -3.6057 2.1339 2.1339 2.1626 2.1626 3.1159 3.1159 3.1587 3.1587 3.5038 3.5038 3.5108 3.5108 7.2794 7.2794 7.2860 7.2860 7.8164 7.8164 7.8264 7.8264 8.6574 8.6576 k = 0.0667 0.5000 0.3112 ( 19292 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2535 -19.2535 -19.2533 -19.2533 -19.2432 -19.2432 -19.2430 -19.2430 -16.3936 -16.3936 -16.3936 -16.3936 -5.5871 -5.5871 -5.5850 -5.5850 -4.9126 -4.9126 -4.9049 -4.9049 -3.7171 -3.7171 -3.7116 -3.7116 -3.6196 -3.6196 -3.6059 -3.6059 2.1321 2.1321 2.1704 2.1704 3.1073 3.1073 3.1655 3.1655 3.5005 3.5005 3.5083 3.5083 7.2793 7.2793 7.2876 7.2876 7.8164 7.8164 7.8296 7.8296 8.6735 8.6736 k = 0.0833 0.5000 0.3112 ( 19292 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2537 -19.2537 -19.2534 -19.2534 -19.2431 -19.2431 -19.2429 -19.2429 -16.3934 -16.3934 -16.3934 -16.3934 -5.5829 -5.5829 -5.5802 -5.5802 -4.9160 -4.9160 -4.9065 -4.9065 -3.7220 -3.7220 -3.7154 -3.7154 -3.6234 -3.6234 -3.6068 -3.6068 2.1312 2.1312 2.1790 2.1790 3.0981 3.0981 3.1725 3.1725 3.4971 3.4971 3.5044 3.5044 7.2792 7.2792 7.2890 7.2890 7.8179 7.8179 7.8342 7.8342 8.6918 8.6927 k = 0.1000 0.5000 0.3112 ( 19300 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2538 -19.2538 -19.2536 -19.2536 -19.2429 -19.2429 -19.2427 -19.2427 -16.3933 -16.3933 -16.3933 -16.3933 -5.5777 -5.5777 -5.5745 -5.5745 -4.9200 -4.9200 -4.9087 -4.9087 -3.7277 -3.7277 -3.7202 -3.7202 -3.6275 -3.6275 -3.6083 -3.6083 2.1310 2.1310 2.1884 2.1884 3.0882 3.0882 3.1799 3.1799 3.4936 3.4936 3.4988 3.4988 7.2791 7.2791 7.2901 7.2901 7.8215 7.8215 7.8405 7.8405 8.7108 8.7131 k = 0.1167 0.5000 0.3112 ( 19296 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2540 -19.2540 -19.2537 -19.2537 -19.2428 -19.2428 -19.2426 -19.2426 -16.3931 -16.3931 -16.3931 -16.3931 -5.5717 -5.5717 -5.5679 -5.5679 -4.9244 -4.9244 -4.9114 -4.9114 -3.7340 -3.7340 -3.7260 -3.7260 -3.6318 -3.6318 -3.6103 -3.6103 2.1317 2.1317 2.1986 2.1986 3.0776 3.0776 3.1877 3.1877 3.4900 3.4900 3.4916 3.4916 7.2790 7.2790 7.2908 7.2908 7.8276 7.8276 7.8491 7.8491 8.7288 8.7316 k = 0.1333 0.5000 0.3112 ( 19276 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4270 -19.4270 -19.4269 -19.4269 -19.2542 -19.2542 -19.2539 -19.2539 -19.2426 -19.2426 -19.2424 -19.2424 -16.3929 -16.3929 -16.3929 -16.3929 -5.5647 -5.5647 -5.5605 -5.5605 -4.9293 -4.9293 -4.9147 -4.9147 -3.7411 -3.7411 -3.7326 -3.7326 -3.6363 -3.6363 -3.6129 -3.6129 2.1332 2.1332 2.2095 2.2095 3.0662 3.0662 3.1959 3.1959 3.4826 3.4826 3.4865 3.4865 7.2787 7.2787 7.2911 7.2911 7.8368 7.8368 7.8604 7.8604 8.7437 8.7437 k = 0.1500 0.5000 0.3112 ( 19268 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4270 -19.4270 -19.2544 -19.2544 -19.2540 -19.2540 -19.2424 -19.2424 -19.2422 -19.2422 -16.3927 -16.3927 -16.3927 -16.3927 -5.5569 -5.5569 -5.5521 -5.5521 -4.9346 -4.9346 -4.9185 -4.9185 -3.7488 -3.7488 -3.7401 -3.7401 -3.6410 -3.6410 -3.6161 -3.6161 2.1354 2.1354 2.2210 2.2210 3.0543 3.0543 3.2045 3.2045 3.4718 3.4718 3.4832 3.4832 7.2783 7.2783 7.2910 7.2910 7.8493 7.8493 7.8747 7.8747 8.7545 8.7545 k = 0.1667 0.5000 0.3112 ( 19240 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4270 -19.4270 -19.2546 -19.2546 -19.2542 -19.2542 -19.2422 -19.2422 -19.2419 -19.2419 -16.3925 -16.3925 -16.3924 -16.3924 -5.5484 -5.5484 -5.5430 -5.5430 -4.9403 -4.9403 -4.9229 -4.9229 -3.7570 -3.7570 -3.7484 -3.7484 -3.6457 -3.6457 -3.6197 -3.6197 2.1385 2.1385 2.2330 2.2330 3.0417 3.0417 3.2135 3.2135 3.4592 3.4592 3.4799 3.4799 7.2779 7.2779 7.2907 7.2907 7.8655 7.8655 7.8923 7.8923 8.7602 8.7602 k = 0.1833 0.5000 0.3112 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4271 -19.4271 -19.4270 -19.4270 -19.2548 -19.2548 -19.2544 -19.2544 -19.2420 -19.2420 -19.2417 -19.2417 -16.3922 -16.3922 -16.3922 -16.3922 -5.5391 -5.5391 -5.5332 -5.5332 -4.9464 -4.9464 -4.9278 -4.9278 -3.7657 -3.7657 -3.7573 -3.7573 -3.6506 -3.6506 -3.6237 -3.6237 2.1424 2.1424 2.2456 2.2456 3.0286 3.0286 3.2228 3.2228 3.4449 3.4449 3.4768 3.4768 7.2776 7.2776 7.2903 7.2903 7.8855 7.8855 7.9133 7.9133 8.7611 8.7611 k = 0.2000 0.5000 0.3112 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4270 -19.4270 -19.2550 -19.2550 -19.2546 -19.2546 -19.2418 -19.2418 -19.2415 -19.2415 -16.3919 -16.3919 -16.3919 -16.3919 -5.5291 -5.5291 -5.5227 -5.5227 -4.9529 -4.9529 -4.9331 -4.9331 -3.7749 -3.7749 -3.7668 -3.7668 -3.6554 -3.6554 -3.6281 -3.6281 2.1471 2.1471 2.2586 2.2586 3.0150 3.0150 3.2322 3.2322 3.4291 3.4291 3.4739 3.4739 7.2777 7.2777 7.2902 7.2902 7.9093 7.9093 7.9377 7.9377 8.7576 8.7576 k = 0.2167 0.5000 0.3112 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4271 -19.4271 -19.2552 -19.2552 -19.2549 -19.2549 -19.2416 -19.2416 -19.2413 -19.2413 -16.3917 -16.3917 -16.3917 -16.3917 -5.5185 -5.5185 -5.5116 -5.5116 -4.9597 -4.9597 -4.9389 -4.9389 -3.7844 -3.7844 -3.7767 -3.7767 -3.6601 -3.6601 -3.6328 -3.6328 2.1526 2.1526 2.2718 2.2718 3.0011 3.0011 3.2416 3.2416 3.4120 3.4120 3.4712 3.4712 7.2783 7.2783 7.2905 7.2905 7.9370 7.9370 7.9655 7.9655 8.7504 8.7505 k = 0.2333 0.5000 0.3112 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4272 -19.4272 -19.4271 -19.4271 -19.2554 -19.2554 -19.2551 -19.2551 -19.2414 -19.2414 -19.2411 -19.2411 -16.3914 -16.3914 -16.3914 -16.3914 -5.5074 -5.5074 -5.5000 -5.5000 -4.9667 -4.9667 -4.9452 -4.9452 -3.7942 -3.7942 -3.7870 -3.7870 -3.6648 -3.6648 -3.6376 -3.6376 2.1590 2.1590 2.2853 2.2853 2.9869 2.9869 3.2503 3.2503 3.3941 3.3941 3.4686 3.4686 7.2797 7.2797 7.2914 7.2914 7.9686 7.9686 7.9968 7.9968 8.7403 8.7403 k = 0.2500 0.5000 0.3112 ( 19268 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4271 -19.4271 -19.2556 -19.2556 -19.2553 -19.2553 -19.2411 -19.2411 -19.2409 -19.2409 -16.3911 -16.3911 -16.3911 -16.3911 -5.4958 -5.4958 -5.4879 -5.4879 -4.9739 -4.9739 -4.9518 -4.9518 -3.8041 -3.8041 -3.7976 -3.7976 -3.6694 -3.6694 -3.6427 -3.6427 2.1662 2.1662 2.2987 2.2987 2.9728 2.9728 3.2577 3.2577 3.3761 3.3761 3.4662 3.4662 7.2820 7.2820 7.2931 7.2931 8.0038 8.0038 8.0316 8.0316 8.7276 8.7276 k = 0.2667 0.5000 0.3112 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4272 -19.4272 -19.2558 -19.2558 -19.2555 -19.2555 -19.2409 -19.2409 -19.2407 -19.2407 -16.3908 -16.3908 -16.3908 -16.3908 -5.4839 -5.4839 -5.4755 -5.4755 -4.9814 -4.9814 -4.9588 -4.9588 -3.8142 -3.8142 -3.8083 -3.8083 -3.6737 -3.6737 -3.6478 -3.6478 2.1743 2.1743 2.3121 2.3121 2.9588 2.9588 3.2622 3.2622 3.3597 3.3597 3.4639 3.4639 7.2853 7.2853 7.2958 7.2958 8.0428 8.0428 8.0697 8.0697 8.7130 8.7130 k = 0.2833 0.5000 0.3112 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4273 -19.4273 -19.4272 -19.4272 -19.2560 -19.2560 -19.2557 -19.2557 -19.2407 -19.2407 -19.2405 -19.2405 -16.3905 -16.3905 -16.3905 -16.3905 -5.4717 -5.4717 -5.4629 -5.4629 -4.9889 -4.9889 -4.9661 -4.9661 -3.8242 -3.8242 -3.8191 -3.8191 -3.6779 -3.6779 -3.6529 -3.6529 2.1833 2.1833 2.3251 2.3251 2.9452 2.9452 3.2610 3.2610 3.3476 3.3476 3.4618 3.4618 7.2897 7.2897 7.2995 7.2995 8.0852 8.0852 8.1112 8.1112 8.6968 8.6968 k = 0.3000 0.5000 0.3112 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4272 -19.4272 -19.2562 -19.2562 -19.2559 -19.2559 -19.2405 -19.2405 -19.2403 -19.2403 -16.3903 -16.3903 -16.3902 -16.3902 -5.4593 -5.4593 -5.4502 -5.4502 -4.9965 -4.9965 -4.9737 -4.9737 -3.8342 -3.8342 -3.8297 -3.8297 -3.6817 -3.6817 -3.6580 -3.6580 2.1931 2.1931 2.3376 2.3376 2.9323 2.9323 3.2516 3.2516 3.3425 3.3425 3.4596 3.4596 7.2953 7.2953 7.3043 7.3043 8.1310 8.1310 8.1559 8.1559 8.6794 8.6794 k = 0.3167 0.5000 0.3112 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4273 -19.4273 -19.2564 -19.2564 -19.2561 -19.2561 -19.2404 -19.2404 -19.2402 -19.2402 -16.3900 -16.3900 -16.3900 -16.3900 -5.4469 -5.4469 -5.4376 -5.4376 -5.0040 -5.0040 -4.9814 -4.9814 -3.8439 -3.8439 -3.8401 -3.8401 -3.6853 -3.6853 -3.6629 -3.6629 2.2038 2.2038 2.3493 2.3493 2.9205 2.9205 3.2345 3.2345 3.3440 3.3440 3.4576 3.4576 7.3020 7.3020 7.3101 7.3101 8.1799 8.1799 8.2039 8.2039 8.6615 8.6615 k = 0.3333 0.5000 0.3112 ( 19244 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4274 -19.4274 -19.4273 -19.4273 -19.2565 -19.2565 -19.2562 -19.2562 -19.2402 -19.2402 -19.2400 -19.2400 -16.3897 -16.3897 -16.3897 -16.3897 -5.4346 -5.4346 -5.4251 -5.4251 -5.0114 -5.0114 -4.9893 -4.9893 -3.8533 -3.8533 -3.8502 -3.8502 -3.6885 -3.6885 -3.6677 -3.6677 2.2152 2.2152 2.3599 2.3599 2.9100 2.9100 3.2124 3.2124 3.3495 3.3495 3.4555 3.4555 7.3096 7.3096 7.3169 7.3169 8.2316 8.2316 8.2549 8.2549 8.6436 8.6436 k = 0.3500 0.5000 0.3112 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4273 -19.4273 -19.2566 -19.2566 -19.2564 -19.2564 -19.2400 -19.2400 -19.2399 -19.2399 -16.3895 -16.3895 -16.3895 -16.3895 -5.4225 -5.4225 -5.4129 -5.4129 -5.0187 -5.0187 -4.9973 -4.9973 -3.8623 -3.8623 -3.8597 -3.8597 -3.6914 -3.6914 -3.6723 -3.6723 2.2274 2.2274 2.3690 2.3690 2.9015 2.9015 3.1875 3.1875 3.3569 3.3569 3.4533 3.4533 7.3179 7.3179 7.3243 7.3243 8.2855 8.2855 8.3090 8.3090 8.6266 8.6266 k = 0.3667 0.5000 0.3112 ( 19236 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2568 -19.2568 -19.2565 -19.2565 -19.2399 -19.2399 -19.2397 -19.2397 -16.3893 -16.3893 -16.3893 -16.3893 -5.4108 -5.4108 -5.4013 -5.4013 -5.0255 -5.0255 -5.0052 -5.0052 -3.8708 -3.8708 -3.8687 -3.8687 -3.6939 -3.6939 -3.6766 -3.6766 2.2403 2.2403 2.3764 2.3764 2.8952 2.8952 3.1610 3.1610 3.3651 3.3651 3.4510 3.4510 7.3268 7.3268 7.3323 7.3323 8.3404 8.3404 8.3656 8.3656 8.6121 8.6121 k = 0.3833 0.5000 0.3112 ( 19212 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2569 -19.2569 -19.2566 -19.2566 -19.2397 -19.2397 -19.2396 -19.2396 -16.3891 -16.3891 -16.3891 -16.3891 -5.3996 -5.3996 -5.3905 -5.3905 -5.0319 -5.0319 -5.0130 -5.0130 -3.8785 -3.8785 -3.8769 -3.8769 -3.6960 -3.6960 -3.6807 -3.6807 2.2538 2.2538 2.3816 2.3816 2.8916 2.8916 3.1337 3.1337 3.3734 3.3734 3.4486 3.4486 7.3359 7.3359 7.3405 7.3405 8.3939 8.3939 8.4242 8.4242 8.5957 8.5957 k = 0.4000 0.5000 0.3112 ( 19200 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2569 -19.2569 -19.2568 -19.2568 -19.2396 -19.2396 -19.2395 -19.2395 -16.3889 -16.3889 -16.3889 -16.3889 -5.3891 -5.3891 -5.3806 -5.3806 -5.0377 -5.0377 -5.0205 -5.0205 -3.8855 -3.8855 -3.8842 -3.8842 -3.6977 -3.6977 -3.6844 -3.6844 2.2677 2.2677 2.3844 2.3844 2.8910 2.8910 3.1062 3.1062 3.3817 3.3817 3.4459 3.4459 7.3448 7.3448 7.3486 7.3486 8.4403 8.4403 8.4825 8.4825 8.5786 8.5786 k = 0.4167 0.5000 0.3112 ( 19196 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4274 -19.4274 -19.2570 -19.2570 -19.2569 -19.2569 -19.2395 -19.2395 -19.2394 -19.2394 -16.3887 -16.3887 -16.3887 -16.3887 -5.3796 -5.3796 -5.3718 -5.3718 -5.0427 -5.0427 -5.0276 -5.0276 -3.8916 -3.8916 -3.8907 -3.8907 -3.6990 -3.6990 -3.6878 -3.6878 2.2819 2.2819 2.3847 2.3847 2.8938 2.8938 3.0789 3.0789 3.3897 3.3897 3.4429 3.4429 7.3533 7.3533 7.3563 7.3563 8.4705 8.4705 8.5243 8.5243 8.5818 8.5818 k = 0.4333 0.5000 0.3112 ( 19184 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2571 -19.2571 -19.2570 -19.2570 -19.2394 -19.2394 -19.2393 -19.2393 -16.3886 -16.3886 -16.3886 -16.3886 -5.3711 -5.3711 -5.3645 -5.3645 -5.0467 -5.0467 -5.0340 -5.0340 -3.8967 -3.8967 -3.8960 -3.8960 -3.6998 -3.6998 -3.6908 -3.6908 2.2962 2.2962 2.3823 2.3823 2.9001 2.9001 3.0521 3.0521 3.3972 3.3972 3.4396 3.4396 7.3609 7.3609 7.3632 7.3632 8.4821 8.4821 8.5232 8.5232 8.6315 8.6315 k = 0.4500 0.5000 0.3112 ( 19188 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2571 -19.2571 -19.2570 -19.2570 -19.2393 -19.2393 -19.2393 -19.2393 -16.3885 -16.3885 -16.3885 -16.3885 -5.3640 -5.3640 -5.3588 -5.3588 -5.0496 -5.0496 -5.0397 -5.0397 -3.9008 -3.9008 -3.9003 -3.9003 -3.7002 -3.7002 -3.6934 -3.6934 2.3105 2.3105 2.3774 2.3774 2.9098 2.9098 3.0262 3.0262 3.4043 3.4043 3.4360 3.4360 7.3674 7.3674 7.3690 7.3690 8.4839 8.4839 8.5114 8.5114 8.6951 8.6951 k = 0.4667 0.5000 0.3112 ( 19188 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3585 -5.3585 -5.3548 -5.3548 -5.0513 -5.0513 -5.0445 -5.0445 -3.9037 -3.9037 -3.9035 -3.9035 -3.7002 -3.7002 -3.6956 -3.6956 2.3244 2.3244 2.3702 2.3702 2.9228 2.9228 3.0016 3.0016 3.4108 3.4108 3.4319 3.4319 7.3723 7.3723 7.3733 7.3733 8.4833 8.4833 8.5003 8.5003 8.7595 8.7595 k = 0.4833 0.5000 0.3112 ( 19192 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2393 -19.2393 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3547 -5.3547 -5.3528 -5.3528 -5.0516 -5.0516 -5.0482 -5.0482 -3.9055 -3.9055 -3.9054 -3.9054 -3.6997 -3.6997 -3.6974 -3.6974 2.3376 2.3376 2.3609 2.3609 2.9388 2.9388 2.9786 2.9786 3.4169 3.4169 3.4274 3.4274 7.3754 7.3754 7.3759 7.3759 8.4836 8.4836 8.4918 8.4918 8.8174 8.8174 k = 0.5000 0.5000 0.3112 ( 19192 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3528 -5.3528 -5.3528 -5.3528 -5.0506 -5.0506 -5.0506 -5.0506 -3.9061 -3.9061 -3.9061 -3.9061 -3.6988 -3.6988 -3.6988 -3.6988 2.3499 2.3499 2.3499 2.3499 2.9575 2.9575 2.9575 2.9575 3.4224 3.4224 3.4224 3.4224 7.3766 7.3766 7.3766 7.3766 8.4862 8.4862 8.4862 8.4862 8.8522 8.8522 k = 0.5000 0.5000 0.3112 ( 19192 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3528 -5.3528 -5.3528 -5.3528 -5.0506 -5.0506 -5.0506 -5.0506 -3.9061 -3.9061 -3.9061 -3.9061 -3.6988 -3.6988 -3.6988 -3.6988 2.3499 2.3499 2.3499 2.3499 2.9575 2.9575 2.9575 2.9575 3.4224 3.4224 3.4224 3.4224 7.3766 7.3766 7.3766 7.3766 8.4862 8.4862 8.4862 8.4862 8.8522 8.8522 k = 0.4884 0.4884 0.3112 ( 19192 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2393 -19.2393 -19.2392 -19.2392 -16.3884 -16.3884 -16.3883 -16.3883 -5.3547 -5.3547 -5.3528 -5.3528 -5.0516 -5.0516 -5.0482 -5.0482 -3.9058 -3.9058 -3.9051 -3.9051 -3.6997 -3.6997 -3.6974 -3.6974 2.3377 2.3377 2.3609 2.3609 2.9390 2.9390 2.9783 2.9783 3.4169 3.4169 3.4274 3.4274 7.3746 7.3746 7.3768 7.3768 8.4834 8.4834 8.4919 8.4919 8.8064 8.8064 k = 0.4767 0.4767 0.3112 ( 19186 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2571 -19.2571 -19.2393 -19.2393 -19.2392 -19.2392 -16.3886 -16.3886 -16.3883 -16.3883 -5.3584 -5.3584 -5.3547 -5.3547 -5.0516 -5.0516 -5.0444 -5.0444 -3.9050 -3.9050 -3.9023 -3.9023 -3.7002 -3.7002 -3.6957 -3.6957 2.3241 2.3241 2.3708 2.3708 2.9228 2.9228 3.0011 3.0011 3.4107 3.4107 3.4322 3.4322 7.3689 7.3689 7.3771 7.3771 8.4815 8.4815 8.5014 8.5014 8.7254 8.7254 k = 0.4651 0.4651 0.3112 ( 19182 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4274 -19.4274 -19.2571 -19.2571 -19.2570 -19.2570 -19.2394 -19.2394 -19.2392 -19.2392 -16.3888 -16.3888 -16.3882 -16.3882 -5.3638 -5.3638 -5.3584 -5.3584 -5.0506 -5.0506 -5.0392 -5.0392 -3.9038 -3.9038 -3.8977 -3.8977 -3.7002 -3.7002 -3.6936 -3.6936 2.3091 2.3091 2.3800 2.3800 2.9090 2.9090 3.0255 3.0255 3.4034 3.4034 3.4371 3.4371 7.3600 7.3600 7.3776 7.3776 8.4782 8.4782 8.5133 8.5133 8.6438 8.6438 k = 0.4535 0.4535 0.3112 ( 19186 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4274 -19.4274 -19.2571 -19.2571 -19.2569 -19.2569 -19.2395 -19.2395 -19.2392 -19.2392 -16.3892 -16.3892 -16.3880 -16.3880 -5.3709 -5.3709 -5.3635 -5.3635 -5.0490 -5.0490 -5.0326 -5.0326 -3.9021 -3.9021 -3.8913 -3.8913 -3.6997 -3.6997 -3.6912 -3.6912 2.2930 2.2930 2.3888 2.3888 2.8973 2.8973 3.0511 3.0511 3.3952 3.3952 3.4423 3.4423 7.3491 7.3491 7.3784 7.3784 8.4665 8.4665 8.5188 8.5188 8.5849 8.5849 k = 0.4419 0.4419 0.3112 ( 19190 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4273 -19.4273 -19.2571 -19.2571 -19.2568 -19.2568 -19.2397 -19.2397 -19.2392 -19.2392 -16.3897 -16.3897 -16.3878 -16.3878 -5.3794 -5.3794 -5.3698 -5.3698 -5.0470 -5.0470 -5.0248 -5.0248 -3.9002 -3.9002 -3.8833 -3.8833 -3.6987 -3.6987 -3.6884 -3.6884 2.2761 2.2761 2.3974 2.3974 2.8875 2.8875 3.0774 3.0774 3.3858 3.3858 3.4480 3.4480 7.3373 7.3373 7.3794 7.3794 8.4269 8.4269 8.5086 8.5086 8.5787 8.5787 k = 0.4302 0.4302 0.3112 ( 19204 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4277 -19.4277 -19.4272 -19.4272 -19.2570 -19.2570 -19.2567 -19.2567 -19.2399 -19.2399 -19.2391 -19.2391 -16.3902 -16.3902 -16.3875 -16.3875 -5.3893 -5.3893 -5.3767 -5.3767 -5.0448 -5.0448 -5.0161 -5.0161 -3.8980 -3.8980 -3.8736 -3.8736 -3.6971 -3.6971 -3.6854 -3.6854 2.2588 2.2588 2.4062 2.4062 2.8792 2.8792 3.1038 3.1038 3.3756 3.3756 3.4543 3.4543 7.3256 7.3256 7.3806 7.3806 8.3667 8.3667 8.5045 8.5045 8.5959 8.5959 k = 0.4186 0.4186 0.3112 ( 19220 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4278 -19.4278 -19.4271 -19.4271 -19.2570 -19.2570 -19.2565 -19.2565 -19.2402 -19.2402 -19.2391 -19.2391 -16.3909 -16.3909 -16.3872 -16.3872 -5.4005 -5.4005 -5.3839 -5.3839 -5.0426 -5.0426 -5.0065 -5.0065 -3.8958 -3.8958 -3.8624 -3.8624 -3.6950 -3.6950 -3.6822 -3.6822 2.2418 2.2418 2.4153 2.4153 2.8720 2.8720 3.1299 3.1299 3.3645 3.3645 3.4614 3.4614 7.3151 7.3151 7.3820 7.3820 8.3061 8.3061 8.5053 8.5053 8.6167 8.6167 k = 0.4070 0.4070 0.3112 ( 19212 PWs) bands (ev): -47.3725 -47.3725 -47.3724 -47.3724 -19.4278 -19.4278 -19.4270 -19.4270 -19.2569 -19.2569 -19.2564 -19.2564 -19.2404 -19.2404 -19.2391 -19.2391 -16.3916 -16.3916 -16.3869 -16.3869 -5.4126 -5.4126 -5.3912 -5.3912 -5.0406 -5.0406 -4.9963 -4.9963 -3.8937 -3.8937 -3.8499 -3.8499 -3.6924 -3.6924 -3.6789 -3.6789 2.2255 2.2255 2.4246 2.4246 2.8656 2.8656 3.1553 3.1553 3.3529 3.3529 3.4693 3.4693 7.3069 7.3069 7.3836 7.3836 8.2514 8.2514 8.5083 8.5083 8.6367 8.6367 k = 0.3953 0.3953 0.3112 ( 19234 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4279 -19.4279 -19.4269 -19.4269 -19.2569 -19.2569 -19.2562 -19.2562 -19.2408 -19.2408 -19.2390 -19.2390 -16.3925 -16.3925 -16.3865 -16.3865 -5.4256 -5.4256 -5.3981 -5.3981 -5.0389 -5.0389 -4.9857 -4.9857 -3.8916 -3.8916 -3.8362 -3.8362 -3.6893 -3.6893 -3.6755 -3.6755 2.2104 2.2104 2.4344 2.4344 2.8595 2.8595 3.1796 3.1796 3.3411 3.3411 3.4780 3.4780 7.3015 7.3015 7.3853 7.3853 8.2042 8.2042 8.5128 8.5128 8.6539 8.6539 k = 0.3837 0.3837 0.3112 ( 19256 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4280 -19.4280 -19.4268 -19.4268 -19.2568 -19.2568 -19.2560 -19.2560 -19.2411 -19.2411 -19.2390 -19.2390 -16.3934 -16.3934 -16.3861 -16.3861 -5.4391 -5.4391 -5.4047 -5.4047 -5.0376 -5.0376 -4.9749 -4.9749 -3.8898 -3.8898 -3.8215 -3.8215 -3.6857 -3.6857 -3.6721 -3.6721 2.1969 2.1969 2.4445 2.4445 2.8536 2.8536 3.2026 3.2026 3.3295 3.3295 3.4875 3.4875 7.2996 7.2996 7.3871 7.3871 8.1649 8.1649 8.5188 8.5188 8.6668 8.6668 k = 0.3721 0.3721 0.3112 ( 19258 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4281 -19.4281 -19.4266 -19.4266 -19.2567 -19.2567 -19.2558 -19.2558 -19.2415 -19.2415 -19.2389 -19.2389 -16.3944 -16.3944 -16.3857 -16.3857 -5.4529 -5.4529 -5.4106 -5.4106 -5.0368 -5.0368 -4.9640 -4.9640 -3.8881 -3.8881 -3.8059 -3.8059 -3.6817 -3.6817 -3.6687 -3.6687 2.1854 2.1854 2.4548 2.4548 2.8476 2.8476 3.2238 3.2238 3.3185 3.3185 3.4978 3.4978 7.3014 7.3014 7.3889 7.3889 8.1338 8.1338 8.5262 8.5262 8.6736 8.6736 k = 0.3605 0.3605 0.3112 ( 19240 PWs) bands (ev): -47.3725 -47.3725 -47.3723 -47.3723 -19.4282 -19.4282 -19.4265 -19.4265 -19.2566 -19.2566 -19.2555 -19.2555 -19.2418 -19.2418 -19.2389 -19.2389 -16.3955 -16.3955 -16.3852 -16.3852 -5.4669 -5.4669 -5.4158 -5.4158 -5.0366 -5.0366 -4.9531 -4.9531 -3.8868 -3.8868 -3.7898 -3.7898 -3.6773 -3.6773 -3.6655 -3.6655 2.1763 2.1763 2.4652 2.4652 2.8416 2.8416 3.2425 3.2425 3.3092 3.3092 3.5089 3.5089 7.3072 7.3072 7.3906 7.3906 8.1103 8.1103 8.5354 8.5354 8.6723 8.6723 k = 0.3488 0.3488 0.3112 ( 19246 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4283 -19.4283 -19.4263 -19.4263 -19.2565 -19.2565 -19.2553 -19.2553 -19.2422 -19.2422 -19.2388 -19.2388 -16.3966 -16.3966 -16.3847 -16.3847 -5.4808 -5.4808 -5.4201 -5.4201 -5.0370 -5.0370 -4.9424 -4.9424 -3.8858 -3.8858 -3.7733 -3.7733 -3.6729 -3.6729 -3.6622 -3.6622 2.1697 2.1697 2.4756 2.4756 2.8358 2.8358 3.2564 3.2564 3.3040 3.3040 3.5208 3.5208 7.3168 7.3168 7.3919 7.3919 8.0942 8.0942 8.5460 8.5460 8.6607 8.6607 k = 0.3372 0.3372 0.3112 ( 19248 PWs) bands (ev): -47.3726 -47.3726 -47.3723 -47.3723 -19.4284 -19.4284 -19.4261 -19.4261 -19.2565 -19.2565 -19.2551 -19.2551 -19.2426 -19.2426 -19.2387 -19.2387 -16.3978 -16.3978 -16.3842 -16.3842 -5.4944 -5.4944 -5.4235 -5.4235 -5.0379 -5.0379 -4.9320 -4.9320 -3.8850 -3.8850 -3.7568 -3.7568 -3.6687 -3.6687 -3.6584 -3.6584 2.1657 2.1657 2.4856 2.4856 2.8304 2.8304 3.2609 3.2609 3.3078 3.3078 3.5334 3.5334 7.3299 7.3299 7.3928 7.3928 8.0844 8.0844 8.5572 8.5572 8.6401 8.6401 k = 0.3256 0.3256 0.3112 ( 19270 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4285 -19.4285 -19.4260 -19.4260 -19.2564 -19.2564 -19.2548 -19.2548 -19.2431 -19.2431 -19.2386 -19.2386 -16.3991 -16.3991 -16.3836 -16.3836 -5.5076 -5.5076 -5.4258 -5.4258 -5.0395 -5.0395 -4.9219 -4.9219 -3.8845 -3.8845 -3.7406 -3.7406 -3.6654 -3.6654 -3.6538 -3.6538 2.1643 2.1643 2.4951 2.4951 2.8260 2.8260 3.2564 3.2564 3.3203 3.3203 3.5469 3.5469 7.3459 7.3459 7.3933 7.3933 8.0802 8.0802 8.5628 8.5628 8.6193 8.6193 k = 0.3140 0.3140 0.3112 ( 19258 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4286 -19.4286 -19.4258 -19.4258 -19.2563 -19.2563 -19.2546 -19.2546 -19.2435 -19.2435 -19.2385 -19.2385 -16.4004 -16.4004 -16.3830 -16.3830 -5.5204 -5.5204 -5.4271 -5.4271 -5.0417 -5.0417 -4.9122 -4.9122 -3.8841 -3.8841 -3.7252 -3.7252 -3.6631 -3.6631 -3.6480 -3.6480 2.1656 2.1656 2.5037 2.5037 2.8231 2.8231 3.2482 3.2482 3.3365 3.3365 3.5611 3.5611 7.3629 7.3629 7.3941 7.3941 8.0802 8.0802 8.5459 8.5459 8.6185 8.6185 k = 0.3023 0.3023 0.3112 ( 19244 PWs) bands (ev): -47.3726 -47.3726 -47.3722 -47.3722 -19.4288 -19.4288 -19.4256 -19.4256 -19.2561 -19.2561 -19.2543 -19.2543 -19.2440 -19.2440 -19.2383 -19.2383 -16.4018 -16.4018 -16.3825 -16.3825 -5.5324 -5.5324 -5.4272 -5.4272 -5.0446 -5.0446 -4.9030 -4.9030 -3.8840 -3.8840 -3.7112 -3.7112 -3.6612 -3.6612 -3.6411 -3.6411 2.1692 2.1692 2.5113 2.5113 2.8224 2.8224 3.2387 3.2387 3.3540 3.3540 3.5760 3.5760 7.3739 7.3739 7.4010 7.4010 8.0833 8.0833 8.5118 8.5118 8.6338 8.6338 k = 0.2907 0.2907 0.3112 ( 19256 PWs) bands (ev): -47.3727 -47.3727 -47.3722 -47.3722 -19.4289 -19.4289 -19.4254 -19.4254 -19.2560 -19.2560 -19.2541 -19.2541 -19.2445 -19.2445 -19.2382 -19.2382 -16.4031 -16.4031 -16.3819 -16.3819 -5.5438 -5.5438 -5.4262 -5.4262 -5.0480 -5.0480 -4.8943 -4.8943 -3.8840 -3.8840 -3.6999 -3.6999 -3.6590 -3.6590 -3.6333 -3.6333 2.1750 2.1750 2.5177 2.5177 2.8245 2.8245 3.2289 3.2289 3.3723 3.3723 3.5916 3.5916 7.3723 7.3723 7.4190 7.4190 8.0883 8.0883 8.4734 8.4734 8.6465 8.6465 k = 0.2791 0.2791 0.3112 ( 19248 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4290 -19.4290 -19.4252 -19.4252 -19.2559 -19.2559 -19.2538 -19.2538 -19.2450 -19.2450 -19.2380 -19.2380 -16.4046 -16.4046 -16.3812 -16.3812 -5.5543 -5.5543 -5.4240 -5.4240 -5.0521 -5.0521 -4.8863 -4.8863 -3.8841 -3.8841 -3.6927 -3.6927 -3.6550 -3.6550 -3.6246 -3.6246 2.1826 2.1826 2.5231 2.5231 2.8297 2.8297 3.2193 3.2193 3.3912 3.3912 3.6078 3.6078 7.3631 7.3631 7.4410 7.4410 8.0939 8.0939 8.4349 8.4349 8.5810 8.5810 k = 0.2674 0.2674 0.3112 ( 19240 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4291 -19.4291 -19.4250 -19.4250 -19.2558 -19.2558 -19.2536 -19.2536 -19.2454 -19.2454 -19.2378 -19.2378 -16.4060 -16.4060 -16.3806 -16.3806 -5.5640 -5.5640 -5.4206 -5.4206 -5.0567 -5.0567 -4.8789 -4.8789 -3.8842 -3.8842 -3.6902 -3.6902 -3.6488 -3.6488 -3.6150 -3.6150 2.1915 2.1915 2.5277 2.5277 2.8384 2.8384 3.2102 3.2102 3.4105 3.4105 3.6245 3.6245 7.3484 7.3484 7.4629 7.4629 8.0992 8.0992 8.3984 8.3984 8.5041 8.5041 k = 0.2558 0.2558 0.3112 ( 19254 PWs) bands (ev): -47.3727 -47.3727 -47.3721 -47.3721 -19.4293 -19.4293 -19.4248 -19.4248 -19.2557 -19.2557 -19.2534 -19.2534 -19.2459 -19.2459 -19.2377 -19.2377 -16.4074 -16.4074 -16.3800 -16.3800 -5.5727 -5.5727 -5.4160 -5.4160 -5.0618 -5.0618 -4.8722 -4.8722 -3.8844 -3.8844 -3.6915 -3.6915 -3.6412 -3.6412 -3.6048 -3.6048 2.2010 2.2010 2.5322 2.5322 2.8504 2.8504 3.2020 3.2020 3.4304 3.4304 3.6414 3.6414 7.3277 7.3277 7.4827 7.4827 8.1032 8.1032 8.3654 8.3654 8.4341 8.4341 k = 0.2442 0.2442 0.3112 ( 19260 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4294 -19.4294 -19.4246 -19.4246 -19.2556 -19.2556 -19.2531 -19.2531 -19.2464 -19.2464 -19.2375 -19.2375 -16.4089 -16.4089 -16.3794 -16.3794 -5.5804 -5.5804 -5.4103 -5.4103 -5.0675 -5.0675 -4.8663 -4.8663 -3.8846 -3.8846 -3.6953 -3.6953 -3.6336 -3.6336 -3.5942 -3.5942 2.2107 2.2107 2.5371 2.5371 2.8656 2.8656 3.1951 3.1951 3.4507 3.4507 3.6585 3.6585 7.3004 7.3004 7.4987 7.4987 8.1052 8.1052 8.3371 8.3371 8.3737 8.3737 k = 0.2326 0.2326 0.3112 ( 19248 PWs) bands (ev): -47.3728 -47.3728 -47.3721 -47.3721 -19.4296 -19.4296 -19.4244 -19.4244 -19.2555 -19.2555 -19.2529 -19.2529 -19.2469 -19.2469 -19.2372 -19.2372 -16.4103 -16.4103 -16.3787 -16.3787 -5.5871 -5.5871 -5.4035 -5.4035 -5.0736 -5.0736 -4.8611 -4.8611 -3.8847 -3.8847 -3.7009 -3.7009 -3.6262 -3.6262 -3.5837 -3.5837 2.2200 2.2200 2.5431 2.5431 2.8835 2.8835 3.1901 3.1901 3.4715 3.4715 3.6756 3.6756 7.2660 7.2660 7.5096 7.5096 8.1038 8.1038 8.3140 8.3140 8.3243 8.3243 k = 0.2209 0.2209 0.3112 ( 19252 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4297 -19.4297 -19.4242 -19.4242 -19.2554 -19.2554 -19.2527 -19.2527 -19.2474 -19.2474 -19.2370 -19.2370 -16.4118 -16.4118 -16.3781 -16.3781 -5.5928 -5.5928 -5.3956 -5.3956 -5.0801 -5.0801 -4.8568 -4.8568 -3.8848 -3.8848 -3.7077 -3.7077 -3.6194 -3.6194 -3.5734 -3.5734 2.2282 2.2282 2.5508 2.5508 2.9037 2.9037 3.1874 3.1874 3.4926 3.4926 3.6924 3.6924 7.2245 7.2245 7.5144 7.5144 8.0965 8.0965 8.2601 8.2601 8.2872 8.2872 k = 0.2093 0.2093 0.3112 ( 19256 PWs) bands (ev): -47.3728 -47.3728 -47.3720 -47.3720 -19.4299 -19.4299 -19.4241 -19.4241 -19.2553 -19.2553 -19.2525 -19.2525 -19.2478 -19.2478 -19.2368 -19.2368 -16.4132 -16.4132 -16.3775 -16.3775 -5.5975 -5.5975 -5.3867 -5.3867 -5.0870 -5.0870 -4.8534 -4.8534 -3.8848 -3.8848 -3.7155 -3.7155 -3.6132 -3.6132 -3.5637 -3.5637 2.2350 2.2350 2.5605 2.5605 2.9257 2.9257 3.1875 3.1875 3.5139 3.5139 3.7090 3.7090 7.1765 7.1765 7.5128 7.5128 8.0769 8.0769 8.1530 8.1530 8.2597 8.2597 k = 0.1977 0.1977 0.3112 ( 19246 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4300 -19.4300 -19.4239 -19.4239 -19.2552 -19.2552 -19.2524 -19.2524 -19.2483 -19.2483 -19.2365 -19.2365 -16.4146 -16.4146 -16.3769 -16.3769 -5.6011 -5.6011 -5.3770 -5.3770 -5.0941 -5.0941 -4.8509 -4.8509 -3.8847 -3.8847 -3.7240 -3.7240 -3.6075 -3.6075 -3.5548 -3.5548 2.2400 2.2400 2.5725 2.5725 2.9490 2.9490 3.1907 3.1907 3.5353 3.5353 3.7251 3.7251 7.1230 7.1230 7.5050 7.5050 8.0176 8.0176 8.0725 8.0725 8.2413 8.2413 k = 0.1860 0.1860 0.3112 ( 19250 PWs) bands (ev): -47.3729 -47.3729 -47.3720 -47.3720 -19.4301 -19.4301 -19.4237 -19.4237 -19.2551 -19.2551 -19.2522 -19.2522 -19.2487 -19.2487 -19.2363 -19.2363 -16.4159 -16.4159 -16.3764 -16.3764 -5.6037 -5.6037 -5.3665 -5.3665 -5.1014 -5.1014 -4.8493 -4.8493 -3.8846 -3.8846 -3.7330 -3.7330 -3.6025 -3.6025 -3.5466 -3.5466 2.2433 2.2433 2.5868 2.5868 2.9728 2.9728 3.1974 3.1974 3.5565 3.5565 3.7409 3.7409 7.0652 7.0652 7.4920 7.4920 7.9183 7.9183 8.0182 8.0182 8.2273 8.2273 k = 0.1744 0.1744 0.3112 ( 19242 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4303 -19.4303 -19.4235 -19.4235 -19.2550 -19.2550 -19.2521 -19.2521 -19.2491 -19.2491 -19.2360 -19.2360 -16.4172 -16.4172 -16.3758 -16.3758 -5.6054 -5.6054 -5.3553 -5.3553 -5.1087 -5.1087 -4.8487 -4.8487 -3.8845 -3.8845 -3.7423 -3.7423 -3.5982 -3.5982 -3.5392 -3.5392 2.2449 2.2449 2.6034 2.6034 2.9966 2.9966 3.2078 3.2078 3.5771 3.5771 3.7565 3.7565 7.0046 7.0046 7.4750 7.4750 7.8163 7.8163 7.9574 7.9574 8.2178 8.2178 k = 0.1628 0.1628 0.3112 ( 19250 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4304 -19.4304 -19.4234 -19.4234 -19.2549 -19.2549 -19.2519 -19.2519 -19.2495 -19.2495 -19.2358 -19.2358 -16.4185 -16.4185 -16.3753 -16.3753 -5.6061 -5.6061 -5.3437 -5.3437 -5.1159 -5.1159 -4.8491 -4.8491 -3.8843 -3.8843 -3.7518 -3.7518 -3.5945 -3.5945 -3.5326 -3.5326 2.2448 2.2448 2.6220 2.6220 3.0196 3.0196 3.2217 3.2217 3.5966 3.5966 3.7722 3.7722 6.9425 6.9425 7.4555 7.4555 7.7174 7.7174 7.8915 7.8915 8.2160 8.2160 k = 0.1512 0.1512 0.3112 ( 19236 PWs) bands (ev): -47.3729 -47.3729 -47.3719 -47.3719 -19.4305 -19.4305 -19.4232 -19.4232 -19.2548 -19.2548 -19.2518 -19.2518 -19.2499 -19.2499 -19.2355 -19.2355 -16.4197 -16.4197 -16.3748 -16.3748 -5.6060 -5.6060 -5.3319 -5.3319 -5.1228 -5.1228 -4.8506 -4.8506 -3.8841 -3.8841 -3.7613 -3.7613 -3.5915 -3.5915 -3.5267 -3.5267 2.2434 2.2434 2.6426 2.6426 3.0414 3.0414 3.2389 3.2389 3.6144 3.6144 3.7885 3.7885 6.8802 6.8802 7.4347 7.4347 7.6228 7.6228 7.8243 7.8243 8.2201 8.2201 k = 0.1395 0.1395 0.3112 ( 19232 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4307 -19.4307 -19.4231 -19.4231 -19.2547 -19.2547 -19.2517 -19.2517 -19.2503 -19.2503 -19.2353 -19.2353 -16.4209 -16.4209 -16.3743 -16.3743 -5.6051 -5.6051 -5.3201 -5.3201 -5.1291 -5.1291 -4.8530 -4.8530 -3.8839 -3.8839 -3.7706 -3.7706 -3.5893 -3.5893 -3.5214 -3.5214 2.2407 2.2407 2.6651 2.6651 3.0613 3.0613 3.2588 3.2588 3.6297 3.6297 3.8061 3.8061 6.8188 6.8188 7.4138 7.4138 7.5333 7.5333 7.7581 7.7581 8.2285 8.2285 k = 0.1279 0.1279 0.3112 ( 19230 PWs) bands (ev): -47.3730 -47.3730 -47.3719 -47.3719 -19.4308 -19.4308 -19.4230 -19.4230 -19.2547 -19.2547 -19.2516 -19.2516 -19.2506 -19.2506 -19.2350 -19.2350 -16.4220 -16.4220 -16.3738 -16.3738 -5.6035 -5.6035 -5.3087 -5.3087 -5.1346 -5.1346 -4.8564 -4.8564 -3.8838 -3.8838 -3.7795 -3.7795 -3.5878 -3.5878 -3.5167 -3.5167 2.2371 2.2371 2.6895 2.6895 3.0790 3.0790 3.2806 3.2806 3.6419 3.6419 3.8255 3.8255 6.7593 6.7593 7.3934 7.3934 7.4492 7.4492 7.6943 7.6943 8.2400 8.2400 k = 0.1163 0.1163 0.3112 ( 19236 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4309 -19.4309 -19.4228 -19.4228 -19.2546 -19.2546 -19.2516 -19.2516 -19.2509 -19.2509 -19.2348 -19.2348 -16.4230 -16.4230 -16.3734 -16.3734 -5.6014 -5.6014 -5.2981 -5.2981 -5.1388 -5.1388 -4.8607 -4.8607 -3.8837 -3.8837 -3.7878 -3.7878 -3.5870 -3.5870 -3.5124 -3.5124 2.2329 2.2329 2.7157 2.7157 3.0942 3.0942 3.3033 3.3033 3.6508 3.6508 3.8468 3.8468 6.7025 6.7025 7.3671 7.3671 7.3784 7.3784 7.6338 7.6338 8.2540 8.2540 k = 0.1047 0.1047 0.3112 ( 19248 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4310 -19.4310 -19.4227 -19.4227 -19.2546 -19.2546 -19.2515 -19.2515 -19.2511 -19.2511 -19.2346 -19.2346 -16.4239 -16.4239 -16.3730 -16.3730 -5.5987 -5.5987 -5.2887 -5.2887 -5.1415 -5.1415 -4.8659 -4.8659 -3.8838 -3.8838 -3.7955 -3.7955 -3.5868 -3.5868 -3.5087 -3.5087 2.2281 2.2281 2.7436 2.7436 3.1064 3.1064 3.3260 3.3260 3.6563 3.6563 3.8699 3.8699 6.6490 6.6490 7.2974 7.2974 7.3588 7.3588 7.5771 7.5771 8.2701 8.2701 k = 0.0930 0.0930 0.3112 ( 19232 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4311 -19.4311 -19.4226 -19.4226 -19.2546 -19.2546 -19.2515 -19.2515 -19.2513 -19.2513 -19.2344 -19.2344 -16.4247 -16.4247 -16.3727 -16.3727 -5.5957 -5.5957 -5.2811 -5.2811 -5.1422 -5.1422 -4.8718 -4.8718 -3.8840 -3.8840 -3.8025 -3.8025 -3.5872 -3.5872 -3.5053 -3.5053 2.2231 2.2231 2.7729 2.7729 3.1153 3.1153 3.3478 3.3478 3.6591 3.6591 3.8942 3.8942 6.5996 6.5996 7.2317 7.2317 7.3439 7.3439 7.5247 7.5247 8.2879 8.2879 k = 0.0814 0.0814 0.3112 ( 19218 PWs) bands (ev): -47.3730 -47.3730 -47.3718 -47.3718 -19.4312 -19.4312 -19.4225 -19.4225 -19.2545 -19.2545 -19.2516 -19.2516 -19.2513 -19.2513 -19.2342 -19.2342 -16.4255 -16.4255 -16.3723 -16.3723 -5.5925 -5.5925 -5.2755 -5.2755 -5.1407 -5.1407 -4.8782 -4.8782 -3.8843 -3.8843 -3.8085 -3.8085 -3.5880 -3.5880 -3.5023 -3.5023 2.2182 2.2182 2.8034 2.8034 3.1206 3.1206 3.3680 3.3680 3.6597 3.6597 3.9188 3.9188 6.5547 6.5547 7.1726 7.1726 7.3312 7.3312 7.4772 7.4772 8.3072 8.3072 k = 0.0698 0.0698 0.3112 ( 19220 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4312 -19.4312 -19.4225 -19.4225 -19.2545 -19.2545 -19.2518 -19.2518 -19.2513 -19.2513 -19.2340 -19.2340 -16.4262 -16.4262 -16.3721 -16.3721 -5.5893 -5.5893 -5.2719 -5.2719 -5.1373 -5.1373 -4.8851 -4.8851 -3.8848 -3.8848 -3.8136 -3.8136 -3.5890 -3.5890 -3.4996 -3.4996 2.2134 2.2134 2.8349 2.8349 3.1219 3.1219 3.3861 3.3861 3.6588 3.6588 3.9429 3.9429 6.5148 6.5148 7.1207 7.1207 7.3207 7.3207 7.4349 7.4349 8.3272 8.3272 k = 0.0581 0.0581 0.3112 ( 19240 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4313 -19.4313 -19.4224 -19.4224 -19.2545 -19.2545 -19.2519 -19.2519 -19.2513 -19.2513 -19.2339 -19.2339 -16.4267 -16.4267 -16.3718 -16.3718 -5.5862 -5.5862 -5.2701 -5.2701 -5.1322 -5.1322 -4.8920 -4.8920 -3.8854 -3.8854 -3.8178 -3.8178 -3.5902 -3.5902 -3.4974 -3.4974 2.2090 2.2090 2.8668 2.8668 3.1190 3.1190 3.4016 3.4016 3.6572 3.6572 3.9654 3.9654 6.4803 6.4803 7.0761 7.0761 7.3123 7.3123 7.3982 7.3982 8.3470 8.3470 k = 0.0465 0.0465 0.3112 ( 19260 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4224 -19.4224 -19.2546 -19.2546 -19.2521 -19.2521 -19.2513 -19.2513 -19.2338 -19.2338 -16.4272 -16.4272 -16.3716 -16.3716 -5.5834 -5.5834 -5.2696 -5.2696 -5.1263 -5.1263 -4.8986 -4.8986 -3.8861 -3.8861 -3.8211 -3.8211 -3.5914 -3.5914 -3.4955 -3.4955 2.2052 2.2052 2.8985 2.8985 3.1118 3.1118 3.4144 3.4144 3.6555 3.6555 3.9854 3.9854 6.4516 6.4516 7.0393 7.0393 7.3057 7.3057 7.3676 7.3676 8.3656 8.3656 k = 0.0349 0.0349 0.3112 ( 19248 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2545 -19.2545 -19.2521 -19.2521 -19.2512 -19.2512 -19.2337 -19.2337 -16.4276 -16.4276 -16.3715 -16.3715 -5.5810 -5.5810 -5.2698 -5.2698 -5.1205 -5.1205 -4.9045 -4.9045 -3.8867 -3.8867 -3.8236 -3.8236 -3.5925 -3.5925 -3.4941 -3.4941 2.2021 2.2021 2.9291 2.9291 3.1007 3.1007 3.4244 3.4244 3.6539 3.6539 4.0020 4.0020 6.4290 6.4290 7.0104 7.0104 7.3010 7.3010 7.3432 7.3432 8.3815 8.3815 k = 0.0233 0.0233 0.3112 ( 19248 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4314 -19.4314 -19.4223 -19.4223 -19.2545 -19.2545 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4278 -16.4278 -16.3714 -16.3714 -5.5792 -5.5792 -5.2703 -5.2703 -5.1156 -5.1156 -4.9092 -4.9092 -3.8872 -3.8872 -3.8253 -3.8253 -3.5934 -3.5934 -3.4930 -3.4930 2.1998 2.1998 2.9573 2.9573 3.0867 3.0867 3.4314 3.4314 3.6526 3.6526 4.0143 4.0143 6.4126 6.4126 6.9896 6.9896 7.2979 7.2979 7.3254 7.3254 8.3938 8.3938 k = 0.0116 0.0116 0.3112 ( 19262 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2546 -19.2546 -19.2522 -19.2522 -19.2512 -19.2512 -19.2336 -19.2336 -16.4280 -16.4280 -16.3713 -16.3713 -5.5781 -5.5781 -5.2708 -5.2708 -5.1123 -5.1123 -4.9123 -4.9123 -3.8875 -3.8875 -3.8262 -3.8262 -3.5939 -3.5939 -3.4924 -3.4924 2.1983 2.1983 2.9799 2.9799 3.0727 3.0727 3.4357 3.4357 3.6519 3.6519 4.0220 4.0220 6.4028 6.4028 6.9770 6.9770 7.2964 7.2964 7.3143 7.3143 8.4014 8.4014 k = 0.0000 0.0000 0.3112 ( 19262 PWs) bands (ev): -47.3731 -47.3731 -47.3718 -47.3718 -19.4315 -19.4315 -19.4223 -19.4223 -19.2546 -19.2546 -19.2523 -19.2523 -19.2512 -19.2512 -19.2336 -19.2336 -16.4281 -16.4281 -16.3713 -16.3713 -5.5777 -5.5777 -5.2710 -5.2710 -5.1111 -5.1111 -4.9133 -4.9133 -3.8877 -3.8877 -3.8266 -3.8266 -3.5941 -3.5941 -3.4922 -3.4922 2.1979 2.1979 2.9896 2.9896 3.0658 3.0658 3.4371 3.4371 3.6517 3.6517 4.0246 4.0246 6.3995 6.3995 6.9728 6.9728 7.2961 7.2961 7.3105 7.3105 8.4040 8.4040 k = 0.0000 0.5000-0.0000 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5546 -5.5546 -5.5546 -5.5546 -4.9344 -4.9344 -4.9344 -4.9344 -3.7681 -3.7681 -3.7681 -3.7681 -3.5891 -3.5891 -3.5891 -3.5891 2.3312 2.3312 2.3312 2.3312 3.1713 3.1713 3.1713 3.1713 3.5239 3.5239 3.5239 3.5239 7.0527 7.0527 7.0527 7.0527 7.7582 7.7582 7.7582 7.7582 7.9703 7.9703 k = 0.0000 0.5000 0.0164 ( 19246 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5549 -5.5549 -5.5549 -5.5549 -4.9342 -4.9342 -4.9342 -4.9342 -3.7677 -3.7677 -3.7677 -3.7677 -3.5892 -3.5892 -3.5892 -3.5892 2.3299 2.3299 2.3299 2.3299 3.1710 3.1710 3.1710 3.1710 3.5238 3.5238 3.5238 3.5238 7.0526 7.0526 7.0526 7.0526 7.7640 7.7640 7.7640 7.7640 7.9729 7.9729 k = 0.0000 0.5000 0.0328 ( 19244 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5557 -5.5557 -5.5557 -5.5557 -4.9335 -4.9335 -4.9335 -4.9335 -3.7666 -3.7666 -3.7666 -3.7666 -3.5895 -3.5895 -3.5895 -3.5895 2.3259 2.3259 2.3259 2.3259 3.1703 3.1703 3.1703 3.1703 3.5237 3.5237 3.5237 3.5237 7.0525 7.0525 7.0525 7.0525 7.7810 7.7810 7.7810 7.7810 7.9806 7.9806 k = 0.0000 0.5000 0.0491 ( 19266 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5571 -5.5571 -5.5571 -5.5571 -4.9324 -4.9324 -4.9324 -4.9324 -3.7648 -3.7648 -3.7648 -3.7648 -3.5899 -3.5899 -3.5899 -3.5899 2.3194 2.3194 2.3194 2.3194 3.1691 3.1691 3.1691 3.1691 3.5234 3.5234 3.5234 3.5234 7.0529 7.0529 7.0529 7.0529 7.8073 7.8073 7.8073 7.8073 7.9935 7.9935 k = 0.0000 0.5000 0.0655 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5590 -5.5590 -5.5590 -5.5590 -4.9310 -4.9310 -4.9310 -4.9310 -3.7624 -3.7624 -3.7624 -3.7624 -3.5905 -3.5905 -3.5905 -3.5905 2.3106 2.3106 2.3106 2.3106 3.1674 3.1674 3.1674 3.1674 3.5231 3.5231 3.5231 3.5231 7.0546 7.0546 7.0546 7.0546 7.8401 7.8401 7.8401 7.8401 8.0114 8.0114 k = 0.0000 0.5000 0.0819 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5613 -5.5613 -5.5613 -5.5613 -4.9292 -4.9292 -4.9292 -4.9292 -3.7593 -3.7593 -3.7593 -3.7593 -3.5913 -3.5913 -3.5913 -3.5913 2.2998 2.2998 2.2998 2.2998 3.1654 3.1654 3.1654 3.1654 3.5226 3.5226 3.5226 3.5226 7.0582 7.0582 7.0582 7.0582 7.8754 7.8754 7.8754 7.8754 8.0342 8.0342 k = 0.0000 0.5000 0.0983 ( 19268 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5640 -5.5640 -5.5640 -5.5640 -4.9271 -4.9271 -4.9271 -4.9271 -3.7556 -3.7556 -3.7556 -3.7556 -3.5922 -3.5922 -3.5922 -3.5922 2.2873 2.2873 2.2873 2.2873 3.1631 3.1631 3.1631 3.1631 3.5219 3.5219 3.5219 3.5219 7.0643 7.0643 7.0643 7.0643 7.9085 7.9085 7.9085 7.9085 8.0617 8.0617 k = 0.0000 0.5000 0.1146 ( 19276 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5669 -5.5669 -5.5669 -5.5669 -4.9248 -4.9248 -4.9248 -4.9248 -3.7515 -3.7515 -3.7515 -3.7515 -3.5933 -3.5933 -3.5933 -3.5933 2.2734 2.2734 2.2734 2.2734 3.1606 3.1606 3.1606 3.1606 3.5212 3.5212 3.5212 3.5212 7.0733 7.0733 7.0733 7.0733 7.9348 7.9348 7.9348 7.9348 8.0939 8.0939 k = 0.0000 0.5000 0.1310 ( 19276 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5701 -5.5701 -5.5701 -5.5701 -4.9224 -4.9224 -4.9224 -4.9224 -3.7470 -3.7470 -3.7470 -3.7470 -3.5945 -3.5945 -3.5945 -3.5945 2.2586 2.2586 2.2586 2.2586 3.1579 3.1579 3.1579 3.1579 3.5203 3.5203 3.5203 3.5203 7.0854 7.0854 7.0854 7.0854 7.9512 7.9512 7.9512 7.9512 8.1306 8.1306 k = 0.0000 0.5000 0.1474 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5733 -5.5733 -5.5733 -5.5733 -4.9199 -4.9199 -4.9199 -4.9199 -3.7422 -3.7422 -3.7422 -3.7422 -3.5959 -3.5959 -3.5959 -3.5959 2.2433 2.2433 2.2433 2.2433 3.1552 3.1552 3.1552 3.1552 3.5192 3.5192 3.5192 3.5192 7.1006 7.1006 7.1006 7.1006 7.9570 7.9570 7.9570 7.9570 8.1716 8.1716 k = 0.0000 0.5000 0.1638 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5766 -5.5766 -5.5766 -5.5766 -4.9174 -4.9174 -4.9174 -4.9174 -3.7372 -3.7372 -3.7372 -3.7372 -3.5974 -3.5974 -3.5974 -3.5974 2.2279 2.2279 2.2279 2.2279 3.1526 3.1526 3.1526 3.1526 3.5181 3.5181 3.5181 3.5181 7.1187 7.1187 7.1187 7.1187 7.9537 7.9537 7.9537 7.9537 8.2168 8.2168 k = 0.0000 0.5000 0.1801 ( 19240 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5797 -5.5797 -5.5797 -5.5797 -4.9150 -4.9150 -4.9150 -4.9150 -3.7321 -3.7321 -3.7321 -3.7321 -3.5990 -3.5990 -3.5990 -3.5990 2.2128 2.2128 2.2128 2.2128 3.1499 3.1499 3.1499 3.1499 3.5170 3.5170 3.5170 3.5170 7.1392 7.1392 7.1392 7.1392 7.9432 7.9432 7.9432 7.9432 8.2657 8.2657 k = 0.0000 0.5000 0.1965 ( 19240 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2531 -19.2531 -19.2531 -19.2531 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5828 -5.5828 -5.5828 -5.5828 -4.9127 -4.9127 -4.9127 -4.9127 -3.7272 -3.7272 -3.7272 -3.7272 -3.6006 -3.6006 -3.6006 -3.6006 2.1984 2.1984 2.1984 2.1984 3.1475 3.1475 3.1475 3.1475 3.5158 3.5158 3.5158 3.5158 7.1616 7.1616 7.1616 7.1616 7.9276 7.9276 7.9276 7.9276 8.3180 8.3180 k = 0.0000 0.5000 0.2129 ( 19290 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5855 -5.5855 -5.5855 -5.5855 -4.9106 -4.9106 -4.9106 -4.9106 -3.7224 -3.7224 -3.7224 -3.7224 -3.6023 -3.6023 -3.6023 -3.6023 2.1852 2.1852 2.1852 2.1852 3.1452 3.1452 3.1452 3.1452 3.5147 3.5147 3.5147 3.5147 7.1852 7.1852 7.1852 7.1852 7.9086 7.9086 7.9086 7.9086 8.3728 8.3728 k = 0.0000 0.5000 0.2293 ( 19292 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5880 -5.5880 -5.5880 -5.5880 -4.9088 -4.9088 -4.9088 -4.9088 -3.7180 -3.7180 -3.7180 -3.7180 -3.6039 -3.6039 -3.6039 -3.6039 2.1733 2.1733 2.1733 2.1733 3.1433 3.1433 3.1433 3.1433 3.5137 3.5137 3.5137 3.5137 7.2088 7.2088 7.2088 7.2088 7.8880 7.8880 7.8880 7.8880 8.4293 8.4293 k = 0.0000 0.5000 0.2457 ( 19282 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5901 -5.5901 -5.5901 -5.5901 -4.9072 -4.9072 -4.9072 -4.9072 -3.7142 -3.7142 -3.7142 -3.7142 -3.6054 -3.6054 -3.6054 -3.6054 2.1632 2.1632 2.1632 2.1632 3.1416 3.1416 3.1416 3.1416 3.5127 3.5127 3.5127 3.5127 7.2314 7.2314 7.2314 7.2314 7.8675 7.8675 7.8675 7.8675 8.4859 8.4859 k = 0.0000 0.5000 0.2620 ( 19278 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5918 -5.5918 -5.5918 -5.5918 -4.9059 -4.9059 -4.9059 -4.9059 -3.7109 -3.7109 -3.7109 -3.7109 -3.6067 -3.6067 -3.6067 -3.6067 2.1551 2.1551 2.1551 2.1551 3.1402 3.1402 3.1402 3.1402 3.5120 3.5120 3.5120 3.5120 7.2515 7.2515 7.2515 7.2515 7.8488 7.8488 7.8488 7.8488 8.5401 8.5401 k = 0.0000 0.5000 0.2784 ( 19286 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2434 -19.2434 -19.2434 -19.2434 -16.3938 -16.3938 -16.3938 -16.3938 -5.5931 -5.5931 -5.5931 -5.5931 -4.9050 -4.9050 -4.9050 -4.9050 -3.7085 -3.7085 -3.7085 -3.7085 -3.6077 -3.6077 -3.6077 -3.6077 2.1491 2.1491 2.1491 2.1491 3.1392 3.1392 3.1392 3.1392 3.5114 3.5114 3.5114 3.5114 7.2675 7.2675 7.2675 7.2675 7.8337 7.8337 7.8337 7.8337 8.5878 8.5878 k = 0.0000 0.5000 0.2948 ( 19268 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5938 -5.5938 -5.5938 -5.5938 -4.9044 -4.9044 -4.9044 -4.9044 -3.7070 -3.7070 -3.7070 -3.7070 -3.6083 -3.6083 -3.6083 -3.6083 2.1455 2.1455 2.1455 2.1455 3.1386 3.1386 3.1386 3.1386 3.5111 3.5111 3.5111 3.5111 7.2779 7.2779 7.2779 7.2779 7.8238 7.8238 7.8238 7.8238 8.6222 8.6222 k = 0.0000 0.5000 0.3112 ( 19260 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4269 -19.4269 -19.4269 -19.4269 -19.2532 -19.2532 -19.2532 -19.2532 -19.2433 -19.2433 -19.2433 -19.2433 -16.3938 -16.3938 -16.3938 -16.3938 -5.5941 -5.5941 -5.5941 -5.5941 -4.9042 -4.9042 -4.9042 -4.9042 -3.7065 -3.7065 -3.7065 -3.7065 -3.6086 -3.6086 -3.6086 -3.6086 2.1443 2.1443 2.1443 2.1443 3.1384 3.1384 3.1384 3.1384 3.5109 3.5109 3.5109 3.5109 7.2815 7.2815 7.2815 7.2815 7.8204 7.8204 7.8204 7.8204 8.6351 8.6351 k = 0.5000 0.5000-0.0000 ( 19248 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2954 -5.2954 -5.2954 -5.2954 -5.0891 -5.0891 -5.0891 -5.0891 -3.9302 -3.9302 -3.9302 -3.9302 -3.7242 -3.7242 -3.7242 -3.7242 2.4491 2.4491 2.4491 2.4491 3.0819 3.0819 3.0819 3.0819 3.4614 3.4614 3.4614 3.4614 7.0812 7.0812 7.0812 7.0812 7.2497 7.2497 7.2497 7.2497 9.5451 9.5451 k = 0.5000 0.5000 0.0164 ( 19272 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2959 -5.2959 -5.2959 -5.2959 -5.0888 -5.0888 -5.0888 -5.0888 -3.9300 -3.9300 -3.9300 -3.9300 -3.7241 -3.7241 -3.7241 -3.7241 2.4484 2.4484 2.4484 2.4484 3.0816 3.0816 3.0816 3.0816 3.4604 3.4604 3.4604 3.4604 7.0826 7.0826 7.0826 7.0826 7.2559 7.2559 7.2559 7.2559 9.5444 9.5444 k = 0.5000 0.5000 0.0328 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2973 -5.2973 -5.2973 -5.2973 -5.0878 -5.0878 -5.0878 -5.0878 -3.9294 -3.9294 -3.9294 -3.9294 -3.7236 -3.7236 -3.7236 -3.7236 2.4462 2.4462 2.4462 2.4462 3.0808 3.0808 3.0808 3.0808 3.4573 3.4573 3.4573 3.4573 7.0870 7.0870 7.0870 7.0870 7.2743 7.2743 7.2743 7.2743 9.5425 9.5425 k = 0.5000 0.5000 0.0491 ( 19284 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.2995 -5.2995 -5.2995 -5.2995 -5.0861 -5.0861 -5.0861 -5.0861 -3.9285 -3.9285 -3.9285 -3.9285 -3.7229 -3.7229 -3.7229 -3.7229 2.4426 2.4426 2.4426 2.4426 3.0794 3.0794 3.0794 3.0794 3.4526 3.4526 3.4526 3.4526 7.0943 7.0943 7.0943 7.0943 7.3047 7.3047 7.3047 7.3047 9.5389 9.5389 k = 0.5000 0.5000 0.0655 ( 19272 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3025 -5.3025 -5.3025 -5.3025 -5.0840 -5.0840 -5.0840 -5.0840 -3.9273 -3.9273 -3.9273 -3.9273 -3.7219 -3.7219 -3.7219 -3.7219 2.4378 2.4378 2.4378 2.4378 3.0770 3.0770 3.0770 3.0770 3.4467 3.4467 3.4467 3.4467 7.1043 7.1043 7.1043 7.1043 7.3465 7.3465 7.3465 7.3465 9.5332 9.5332 k = 0.5000 0.5000 0.0819 ( 19276 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3062 -5.3062 -5.3062 -5.3062 -5.0814 -5.0814 -5.0814 -5.0814 -3.9258 -3.9258 -3.9258 -3.9258 -3.7206 -3.7206 -3.7206 -3.7206 2.4320 2.4320 2.4320 2.4320 3.0734 3.0734 3.0734 3.0734 3.4401 3.4401 3.4401 3.4401 7.1170 7.1170 7.1170 7.1170 7.3991 7.3991 7.3991 7.3991 9.5245 9.5245 k = 0.5000 0.5000 0.0983 ( 19256 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3103 -5.3103 -5.3103 -5.3103 -5.0785 -5.0785 -5.0785 -5.0785 -3.9240 -3.9240 -3.9240 -3.9240 -3.7191 -3.7191 -3.7191 -3.7191 2.4252 2.4252 2.4252 2.4252 3.0683 3.0683 3.0683 3.0683 3.4335 3.4335 3.4335 3.4335 7.1323 7.1323 7.1323 7.1323 7.4616 7.4616 7.4616 7.4616 9.5118 9.5118 k = 0.5000 0.5000 0.1146 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3148 -5.3148 -5.3148 -5.3148 -5.0754 -5.0754 -5.0754 -5.0754 -3.9222 -3.9222 -3.9222 -3.9222 -3.7174 -3.7174 -3.7174 -3.7174 2.4178 2.4178 2.4178 2.4178 3.0616 3.0616 3.0616 3.0616 3.4276 3.4276 3.4276 3.4276 7.1499 7.1499 7.1499 7.1499 7.5330 7.5330 7.5330 7.5330 9.4926 9.4926 k = 0.5000 0.5000 0.1310 ( 19264 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3195 -5.3195 -5.3195 -5.3195 -5.0722 -5.0722 -5.0722 -5.0722 -3.9202 -3.9202 -3.9202 -3.9202 -3.7155 -3.7155 -3.7155 -3.7155 2.4099 2.4099 2.4099 2.4099 3.0532 3.0532 3.0532 3.0532 3.4226 3.4226 3.4226 3.4226 7.1698 7.1698 7.1698 7.1698 7.6123 7.6123 7.6123 7.6123 9.4611 9.4611 k = 0.5000 0.5000 0.1474 ( 19276 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4276 -19.4276 -19.4276 -19.4276 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3242 -5.3242 -5.3242 -5.3242 -5.0690 -5.0690 -5.0690 -5.0690 -3.9182 -3.9182 -3.9182 -3.9182 -3.7135 -3.7135 -3.7135 -3.7135 2.4018 2.4018 2.4018 2.4018 3.0433 3.0433 3.0433 3.0433 3.4189 3.4189 3.4189 3.4189 7.1915 7.1915 7.1915 7.1915 7.6982 7.6982 7.6982 7.6982 9.4048 9.4048 k = 0.5000 0.5000 0.1638 ( 19244 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3289 -5.3289 -5.3289 -5.3289 -5.0659 -5.0659 -5.0659 -5.0659 -3.9162 -3.9162 -3.9162 -3.9162 -3.7114 -3.7114 -3.7114 -3.7114 2.3937 2.3937 2.3937 2.3937 3.0323 3.0323 3.0323 3.0323 3.4166 3.4166 3.4166 3.4166 7.2148 7.2148 7.2148 7.2148 7.7894 7.7894 7.7894 7.7894 9.3252 9.3252 k = 0.5000 0.5000 0.1801 ( 19252 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3334 -5.3334 -5.3334 -5.3334 -5.0630 -5.0630 -5.0630 -5.0630 -3.9143 -3.9143 -3.9143 -3.9143 -3.7093 -3.7093 -3.7093 -3.7093 2.3857 2.3857 2.3857 2.3857 3.0204 3.0204 3.0204 3.0204 3.4155 3.4155 3.4155 3.4155 7.2391 7.2391 7.2391 7.2391 7.8846 7.8846 7.8846 7.8846 9.2399 9.2399 k = 0.5000 0.5000 0.1965 ( 19244 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3375 -5.3375 -5.3375 -5.3375 -5.0602 -5.0602 -5.0602 -5.0602 -3.9125 -3.9125 -3.9125 -3.9125 -3.7072 -3.7072 -3.7072 -3.7072 2.3782 2.3782 2.3782 2.3782 3.0083 3.0083 3.0083 3.0083 3.4155 3.4155 3.4155 3.4155 7.2639 7.2639 7.2639 7.2639 7.9821 7.9821 7.9821 7.9821 9.1575 9.1575 k = 0.5000 0.5000 0.2129 ( 19204 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3414 -5.3414 -5.3414 -5.3414 -5.0578 -5.0578 -5.0578 -5.0578 -3.9109 -3.9109 -3.9109 -3.9109 -3.7052 -3.7052 -3.7052 -3.7052 2.3713 2.3713 2.3713 2.3713 2.9965 2.9965 2.9965 2.9965 3.4163 3.4163 3.4163 3.4163 7.2884 7.2884 7.2884 7.2884 8.0802 8.0802 8.0802 8.0802 9.0814 9.0814 k = 0.5000 0.5000 0.2293 ( 19200 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3447 -5.3447 -5.3447 -5.3447 -5.0556 -5.0556 -5.0556 -5.0556 -3.9094 -3.9094 -3.9094 -3.9094 -3.7034 -3.7034 -3.7034 -3.7034 2.3651 2.3651 2.3651 2.3651 2.9856 2.9856 2.9856 2.9856 3.4175 3.4175 3.4175 3.4175 7.3118 7.3118 7.3118 7.3118 8.1766 8.1766 8.1766 8.1766 9.0136 9.0136 k = 0.5000 0.5000 0.2457 ( 19196 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3475 -5.3475 -5.3475 -5.3475 -5.0538 -5.0538 -5.0538 -5.0538 -3.9082 -3.9082 -3.9082 -3.9082 -3.7018 -3.7018 -3.7018 -3.7018 2.3598 2.3598 2.3598 2.3598 2.9760 2.9760 2.9760 2.9760 3.4189 3.4189 3.4189 3.4189 7.3330 7.3330 7.3330 7.3330 8.2686 8.2686 8.2686 8.2686 8.9559 8.9559 k = 0.5000 0.5000 0.2620 ( 19196 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3498 -5.3498 -5.3498 -5.3498 -5.0524 -5.0524 -5.0524 -5.0524 -3.9073 -3.9073 -3.9073 -3.9073 -3.7005 -3.7005 -3.7005 -3.7005 2.3556 2.3556 2.3556 2.3556 2.9681 2.9681 2.9681 2.9681 3.4203 3.4203 3.4203 3.4203 7.3511 7.3511 7.3511 7.3511 8.3521 8.3521 8.3521 8.3521 8.9100 8.9100 k = 0.5000 0.5000 0.2784 ( 19196 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3514 -5.3514 -5.3514 -5.3514 -5.0514 -5.0514 -5.0514 -5.0514 -3.9066 -3.9066 -3.9066 -3.9066 -3.6996 -3.6996 -3.6996 -3.6996 2.3525 2.3525 2.3525 2.3525 2.9623 2.9623 2.9623 2.9623 3.4214 3.4214 3.4214 3.4214 7.3649 7.3649 7.3649 7.3649 8.4216 8.4216 8.4216 8.4216 8.8772 8.8772 k = 0.5000 0.5000 0.2948 ( 19216 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2393 -19.2393 -19.2393 -19.2393 -16.3884 -16.3884 -16.3884 -16.3884 -5.3524 -5.3524 -5.3524 -5.3524 -5.0508 -5.0508 -5.0508 -5.0508 -3.9062 -3.9062 -3.9062 -3.9062 -3.6990 -3.6990 -3.6990 -3.6990 2.3506 2.3506 2.3506 2.3506 2.9587 2.9587 2.9587 2.9587 3.4221 3.4221 3.4221 3.4221 7.3736 7.3736 7.3736 7.3736 8.4691 8.4691 8.4691 8.4691 8.8582 8.8582 k = 0.5000 0.5000 0.3112 ( 19192 PWs) bands (ev): -47.3724 -47.3724 -47.3724 -47.3724 -19.4275 -19.4275 -19.4275 -19.4275 -19.2572 -19.2572 -19.2572 -19.2572 -19.2392 -19.2392 -19.2392 -19.2392 -16.3884 -16.3884 -16.3884 -16.3884 -5.3528 -5.3528 -5.3528 -5.3528 -5.0506 -5.0506 -5.0506 -5.0506 -3.9061 -3.9061 -3.9061 -3.9061 -3.6988 -3.6988 -3.6988 -3.6988 2.3499 2.3499 2.3499 2.3499 2.9575 2.9575 2.9575 2.9575 3.4224 3.4224 3.4224 3.4224 7.3766 7.3766 7.3766 7.3766 8.4862 8.4862 8.4862 8.4862 8.8522 8.8522 Writing output data file CsNaTe.save init_run : 0.78s CPU 0.95s WALL ( 1 calls) electrons : 476.74s CPU 481.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 476.73s CPU 481.82s 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 : 0.21s CPU 0.24s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.18s WALL ( 272 calls) cegterg : 447.76s CPU 451.49s WALL ( 708 calls) Called by sum_band: Called by *egterg: h_psi : 270.43s CPU 273.93s WALL ( 12364 calls) s_psi : 9.95s CPU 10.13s WALL ( 12364 calls) g_psi : 0.55s CPU 0.59s WALL ( 11384 calls) cdiaghg : 133.92s CPU 133.94s WALL ( 11656 calls) cegterg:over : 19.79s CPU 19.89s WALL ( 11384 calls) cegterg:upda : 18.26s CPU 18.44s WALL ( 11384 calls) cegterg:last : 8.47s CPU 8.54s WALL ( 1433 calls) cdiaghg:chol : 6.30s CPU 5.86s WALL ( 11656 calls) cdiaghg:inve : 2.95s CPU 2.96s WALL ( 11656 calls) cdiaghg:para : 7.42s CPU 7.45s WALL ( 23312 calls) Called by h_psi: h_psi:vloc : 234.14s CPU 237.51s WALL ( 12364 calls) h_psi:vnl : 35.62s CPU 35.77s WALL ( 12364 calls) add_vuspsi : 20.12s CPU 20.08s WALL ( 12364 calls) General routines calbec : 15.45s CPU 15.65s WALL ( 12364 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 225.34s CPU 228.48s WALL ( 907856 calls) interpolate : 0.01s CPU 0.00s WALL ( 4 calls) davcio : 0.32s CPU 0.45s WALL ( 544 calls) Parallel routines fft_scatter : 120.08s CPU 121.55s WALL ( 907879 calls) PWSCF : 8m50.65s CPU 9m12.09s WALL This run was terminated on: 14:39: 9 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=